USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 24 LYS NZ :NH3+ -118:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.865 K(o=1.9,f=-3.6) USER MOD Set 2.1: A 31 THR OG1 : rot 25:sc= -2.55! USER MOD Set 2.2: A 37 GLN : amide:sc= -0.997 K(o=-3.5,f=-5.2!) USER MOD Single : A 1 LYS N :NH3+ -135:sc= 0.0234 (180deg=-0.0616) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.154) USER MOD Single : A 4 SER OG : rot 44:sc= 0.405 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.52! C(o=-1.5!,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 45 ASN : amide:sc= -0.239 K(o=-0.24,f=-0.75) USER MOD Single : A 48 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.48) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0702 (180deg=-0.431) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc=-0.000988 (180deg=-0.0932) USER MOD Single : A 59 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.043) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.648 (180deg=0.424) USER MOD Single : A 67 ASN : amide:sc= 0.896 K(o=0.9,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -25.174 -13.731 -8.408 1.00 31.12 N ATOM 2 CA LYS A 1 -25.224 -12.294 -8.632 1.00 40.33 C ATOM 3 C LYS A 1 -23.843 -11.722 -8.377 1.00 71.11 C ATOM 4 O LYS A 1 -23.108 -12.256 -7.532 1.00 41.55 O ATOM 5 CB LYS A 1 -26.236 -11.623 -7.686 1.00 54.10 C ATOM 6 CG LYS A 1 -27.652 -12.148 -7.799 1.00 4.51 C ATOM 7 CD LYS A 1 -28.598 -11.380 -6.895 1.00 11.34 C ATOM 8 CE LYS A 1 -30.005 -11.951 -6.943 1.00 72.52 C ATOM 9 NZ LYS A 1 -30.577 -11.937 -8.313 1.00 1.02 N ATOM 0 H1 LYS A 1 -25.671 -14.220 -9.179 1.00 31.12 H new ATOM 0 H2 LYS A 1 -24.183 -14.044 -8.382 1.00 31.12 H new ATOM 0 H3 LYS A 1 -25.632 -13.957 -7.502 1.00 31.12 H new ATOM 0 HA LYS A 1 -25.539 -12.103 -9.658 1.00 40.33 H new ATOM 0 HB2 LYS A 1 -25.895 -11.754 -6.659 1.00 54.10 H new ATOM 0 HB3 LYS A 1 -26.243 -10.551 -7.885 1.00 54.10 H new ATOM 0 HG2 LYS A 1 -27.990 -12.070 -8.832 1.00 4.51 H new ATOM 0 HG3 LYS A 1 -27.672 -13.206 -7.536 1.00 4.51 H new ATOM 0 HD2 LYS A 1 -28.227 -11.410 -5.870 1.00 11.34 H new ATOM 0 HD3 LYS A 1 -28.619 -10.333 -7.196 1.00 11.34 H new ATOM 0 HE2 LYS A 1 -29.991 -12.975 -6.569 1.00 72.52 H new ATOM 0 HE3 LYS A 1 -30.650 -11.377 -6.278 1.00 72.52 H new ATOM 0 HZ1 LYS A 1 -31.592 -12.158 -8.268 1.00 1.02 H new ATOM 0 HZ2 LYS A 1 -30.446 -10.995 -8.734 1.00 1.02 H new ATOM 0 HZ3 LYS A 1 -30.094 -12.648 -8.898 1.00 1.02 H new ATOM 25 N PRO A 2 -23.445 -10.660 -9.111 1.00 3.32 N ATOM 26 CA PRO A 2 -22.149 -10.007 -8.920 1.00 43.34 C ATOM 27 C PRO A 2 -22.029 -9.404 -7.526 1.00 31.05 C ATOM 28 O PRO A 2 -22.664 -8.389 -7.217 1.00 73.40 O ATOM 29 CB PRO A 2 -22.133 -8.893 -9.977 1.00 70.14 C ATOM 30 CG PRO A 2 -23.168 -9.287 -10.968 1.00 32.02 C ATOM 31 CD PRO A 2 -24.216 -10.019 -10.193 1.00 53.21 C ATOM 0 HA PRO A 2 -21.321 -10.709 -9.020 1.00 43.34 H new ATOM 0 HB2 PRO A 2 -22.361 -7.924 -9.533 1.00 70.14 H new ATOM 0 HB3 PRO A 2 -21.152 -8.807 -10.444 1.00 70.14 H new ATOM 0 HG2 PRO A 2 -23.588 -8.412 -11.464 1.00 32.02 H new ATOM 0 HG3 PRO A 2 -22.743 -9.921 -11.746 1.00 32.02 H new ATOM 0 HD2 PRO A 2 -24.974 -9.341 -9.801 1.00 53.21 H new ATOM 0 HD3 PRO A 2 -24.733 -10.754 -10.809 1.00 53.21 H new ATOM 39 N VAL A 3 -21.280 -10.067 -6.685 1.00 3.01 N ATOM 40 CA VAL A 3 -21.033 -9.621 -5.341 1.00 41.31 C ATOM 41 C VAL A 3 -19.935 -10.468 -4.701 1.00 33.40 C ATOM 42 O VAL A 3 -20.132 -11.650 -4.373 1.00 0.12 O ATOM 43 CB VAL A 3 -22.336 -9.569 -4.446 1.00 43.05 C ATOM 44 CG1 VAL A 3 -23.051 -10.916 -4.358 1.00 70.14 C ATOM 45 CG2 VAL A 3 -22.018 -9.032 -3.055 1.00 30.24 C ATOM 0 H VAL A 3 -20.818 -10.946 -6.919 1.00 3.01 H new ATOM 0 HA VAL A 3 -20.690 -8.588 -5.403 1.00 41.31 H new ATOM 0 HB VAL A 3 -23.025 -8.883 -4.939 1.00 43.05 H new ATOM 0 HG11 VAL A 3 -23.937 -10.817 -3.731 1.00 70.14 H new ATOM 0 HG12 VAL A 3 -23.347 -11.237 -5.357 1.00 70.14 H new ATOM 0 HG13 VAL A 3 -22.380 -11.657 -3.923 1.00 70.14 H new ATOM 0 HG21 VAL A 3 -22.930 -9.006 -2.458 1.00 30.24 H new ATOM 0 HG22 VAL A 3 -21.287 -9.681 -2.573 1.00 30.24 H new ATOM 0 HG23 VAL A 3 -21.610 -8.025 -3.138 1.00 30.24 H new ATOM 55 N SER A 4 -18.777 -9.891 -4.590 1.00 72.14 N ATOM 56 CA SER A 4 -17.672 -10.551 -3.990 1.00 21.51 C ATOM 57 C SER A 4 -17.221 -9.793 -2.749 1.00 24.12 C ATOM 58 O SER A 4 -16.493 -8.801 -2.836 1.00 0.53 O ATOM 59 CB SER A 4 -16.528 -10.723 -5.006 1.00 0.13 C ATOM 60 OG SER A 4 -16.135 -9.468 -5.559 1.00 55.43 O ATOM 0 H SER A 4 -18.578 -8.945 -4.916 1.00 72.14 H new ATOM 0 HA SER A 4 -17.978 -11.549 -3.676 1.00 21.51 H new ATOM 0 HB2 SER A 4 -15.673 -11.192 -4.519 1.00 0.13 H new ATOM 0 HB3 SER A 4 -16.846 -11.392 -5.806 1.00 0.13 H new ATOM 0 HG SER A 4 -16.083 -8.798 -4.846 1.00 55.43 H new ATOM 66 N LEU A 5 -17.703 -10.217 -1.602 1.00 13.45 N ATOM 67 CA LEU A 5 -17.312 -9.585 -0.355 1.00 34.22 C ATOM 68 C LEU A 5 -16.115 -10.299 0.216 1.00 44.10 C ATOM 69 O LEU A 5 -15.313 -9.715 0.952 1.00 32.40 O ATOM 70 CB LEU A 5 -18.454 -9.514 0.705 1.00 63.31 C ATOM 71 CG LEU A 5 -19.053 -10.833 1.244 1.00 33.43 C ATOM 72 CD1 LEU A 5 -19.896 -10.551 2.477 1.00 45.55 C ATOM 73 CD2 LEU A 5 -19.921 -11.523 0.202 1.00 21.01 C ATOM 0 H LEU A 5 -18.361 -10.990 -1.503 1.00 13.45 H new ATOM 0 HA LEU A 5 -17.064 -8.551 -0.594 1.00 34.22 H new ATOM 0 HB2 LEU A 5 -18.078 -8.950 1.558 1.00 63.31 H new ATOM 0 HB3 LEU A 5 -19.269 -8.933 0.273 1.00 63.31 H new ATOM 0 HG LEU A 5 -18.222 -11.493 1.494 1.00 33.43 H new ATOM 0 HD11 LEU A 5 -20.315 -11.484 2.852 1.00 45.55 H new ATOM 0 HD12 LEU A 5 -19.273 -10.097 3.248 1.00 45.55 H new ATOM 0 HD13 LEU A 5 -20.705 -9.869 2.216 1.00 45.55 H new ATOM 0 HD21 LEU A 5 -20.324 -12.446 0.618 1.00 21.01 H new ATOM 0 HD22 LEU A 5 -20.742 -10.864 -0.082 1.00 21.01 H new ATOM 0 HD23 LEU A 5 -19.320 -11.753 -0.678 1.00 21.01 H new ATOM 85 N SER A 6 -15.987 -11.551 -0.138 1.00 2.11 N ATOM 86 CA SER A 6 -14.903 -12.357 0.321 1.00 54.22 C ATOM 87 C SER A 6 -13.652 -12.018 -0.471 1.00 3.41 C ATOM 88 O SER A 6 -13.679 -11.986 -1.703 1.00 4.23 O ATOM 89 CB SER A 6 -15.256 -13.843 0.173 1.00 1.31 C ATOM 90 OG SER A 6 -14.207 -14.693 0.643 1.00 22.23 O ATOM 0 H SER A 6 -16.638 -12.036 -0.756 1.00 2.11 H new ATOM 0 HA SER A 6 -14.716 -12.155 1.376 1.00 54.22 H new ATOM 0 HB2 SER A 6 -16.170 -14.055 0.727 1.00 1.31 H new ATOM 0 HB3 SER A 6 -15.460 -14.064 -0.875 1.00 1.31 H new ATOM 0 HG SER A 6 -14.471 -15.630 0.533 1.00 22.23 H new ATOM 96 N TYR A 7 -12.588 -11.739 0.230 1.00 62.24 N ATOM 97 CA TYR A 7 -11.325 -11.435 -0.383 1.00 4.41 C ATOM 98 C TYR A 7 -10.284 -12.394 0.123 1.00 54.35 C ATOM 99 O TYR A 7 -10.434 -12.961 1.205 1.00 31.15 O ATOM 100 CB TYR A 7 -10.921 -9.968 -0.143 1.00 72.20 C ATOM 101 CG TYR A 7 -10.855 -9.529 1.312 1.00 14.12 C ATOM 102 CD1 TYR A 7 -9.734 -9.784 2.092 1.00 14.51 C ATOM 103 CD2 TYR A 7 -11.904 -8.836 1.892 1.00 11.13 C ATOM 104 CE1 TYR A 7 -9.664 -9.363 3.399 1.00 42.31 C ATOM 105 CE2 TYR A 7 -11.843 -8.415 3.200 1.00 34.44 C ATOM 106 CZ TYR A 7 -10.720 -8.682 3.947 1.00 72.25 C ATOM 107 OH TYR A 7 -10.653 -8.252 5.246 1.00 13.54 O ATOM 0 H TYR A 7 -12.573 -11.716 1.250 1.00 62.24 H new ATOM 0 HA TYR A 7 -11.414 -11.556 -1.463 1.00 4.41 H new ATOM 0 HB2 TYR A 7 -9.945 -9.801 -0.598 1.00 72.20 H new ATOM 0 HB3 TYR A 7 -11.630 -9.326 -0.665 1.00 72.20 H new ATOM 0 HD1 TYR A 7 -8.902 -10.323 1.664 1.00 14.51 H new ATOM 0 HD2 TYR A 7 -12.786 -8.622 1.307 1.00 11.13 H new ATOM 0 HE1 TYR A 7 -8.783 -9.567 3.990 1.00 42.31 H new ATOM 0 HE2 TYR A 7 -12.672 -7.878 3.637 1.00 34.44 H new ATOM 0 HH TYR A 7 -11.483 -7.786 5.479 1.00 13.54 H new ATOM 117 N ARG A 8 -9.238 -12.586 -0.633 1.00 64.12 N ATOM 118 CA ARG A 8 -8.241 -13.553 -0.253 1.00 74.41 C ATOM 119 C ARG A 8 -6.916 -12.907 0.123 1.00 51.13 C ATOM 120 O ARG A 8 -6.012 -13.576 0.616 1.00 33.24 O ATOM 121 CB ARG A 8 -8.130 -14.677 -1.318 1.00 25.24 C ATOM 122 CG ARG A 8 -7.676 -14.247 -2.714 1.00 54.54 C ATOM 123 CD ARG A 8 -6.167 -14.161 -2.835 1.00 33.41 C ATOM 124 NE ARG A 8 -5.522 -15.482 -2.678 1.00 62.04 N ATOM 125 CZ ARG A 8 -4.196 -15.696 -2.687 1.00 70.23 C ATOM 126 NH1 ARG A 8 -3.361 -14.685 -2.796 1.00 22.31 N ATOM 127 NH2 ARG A 8 -3.714 -16.932 -2.574 1.00 73.53 N ATOM 0 H ARG A 8 -9.053 -12.093 -1.507 1.00 64.12 H new ATOM 0 HA ARG A 8 -8.568 -14.040 0.666 1.00 74.41 H new ATOM 0 HB2 ARG A 8 -7.434 -15.430 -0.949 1.00 25.24 H new ATOM 0 HB3 ARG A 8 -9.103 -15.160 -1.408 1.00 25.24 H new ATOM 0 HG2 ARG A 8 -8.056 -14.955 -3.450 1.00 54.54 H new ATOM 0 HG3 ARG A 8 -8.112 -13.276 -2.951 1.00 54.54 H new ATOM 0 HD2 ARG A 8 -5.905 -13.743 -3.807 1.00 33.41 H new ATOM 0 HD3 ARG A 8 -5.781 -13.477 -2.079 1.00 33.41 H new ATOM 0 HE ARG A 8 -6.130 -16.292 -2.553 1.00 62.04 H new ATOM 0 HH11 ARG A 8 -3.720 -13.733 -2.874 1.00 22.31 H new ATOM 0 HH12 ARG A 8 -2.355 -14.853 -2.802 1.00 22.31 H new ATOM 0 HH21 ARG A 8 -4.353 -17.722 -2.480 1.00 73.53 H new ATOM 0 HH22 ARG A 8 -2.706 -17.089 -2.581 1.00 73.53 H new ATOM 141 N CYS A 9 -6.835 -11.619 -0.084 1.00 51.11 N ATOM 142 CA CYS A 9 -5.656 -10.821 0.260 1.00 63.31 C ATOM 143 C CYS A 9 -6.072 -9.614 1.073 1.00 34.04 C ATOM 144 O CYS A 9 -7.146 -9.075 0.838 1.00 71.10 O ATOM 145 CB CYS A 9 -4.888 -10.384 -1.000 1.00 51.54 C ATOM 146 SG CYS A 9 -4.089 -11.750 -1.901 1.00 71.34 S ATOM 0 H CYS A 9 -7.589 -11.074 -0.502 1.00 51.11 H new ATOM 0 HA CYS A 9 -4.986 -11.440 0.856 1.00 63.31 H new ATOM 0 HB2 CYS A 9 -5.577 -9.874 -1.673 1.00 51.54 H new ATOM 0 HB3 CYS A 9 -4.127 -9.658 -0.714 1.00 51.54 H new ATOM 151 N PRO A 10 -5.217 -9.184 2.061 1.00 43.52 N ATOM 152 CA PRO A 10 -5.502 -8.044 2.964 1.00 25.25 C ATOM 153 C PRO A 10 -6.110 -6.848 2.236 1.00 40.15 C ATOM 154 O PRO A 10 -7.129 -6.299 2.650 1.00 71.13 O ATOM 155 CB PRO A 10 -4.120 -7.677 3.496 1.00 2.31 C ATOM 156 CG PRO A 10 -3.349 -8.949 3.483 1.00 65.14 C ATOM 157 CD PRO A 10 -3.907 -9.798 2.369 1.00 4.42 C ATOM 0 HA PRO A 10 -6.230 -8.309 3.731 1.00 25.25 H new ATOM 0 HB2 PRO A 10 -3.645 -6.922 2.870 1.00 2.31 H new ATOM 0 HB3 PRO A 10 -4.182 -7.264 4.503 1.00 2.31 H new ATOM 0 HG2 PRO A 10 -2.288 -8.754 3.324 1.00 65.14 H new ATOM 0 HG3 PRO A 10 -3.439 -9.463 4.440 1.00 65.14 H new ATOM 0 HD2 PRO A 10 -3.251 -9.793 1.498 1.00 4.42 H new ATOM 0 HD3 PRO A 10 -4.018 -10.837 2.678 1.00 4.42 H new ATOM 165 N CYS A 11 -5.489 -6.462 1.160 1.00 53.13 N ATOM 166 CA CYS A 11 -5.978 -5.392 0.359 1.00 55.25 C ATOM 167 C CYS A 11 -6.627 -5.945 -0.875 1.00 73.45 C ATOM 168 O CYS A 11 -5.961 -6.514 -1.731 1.00 43.43 O ATOM 169 CB CYS A 11 -4.856 -4.433 -0.010 1.00 71.31 C ATOM 170 SG CYS A 11 -4.117 -3.582 1.414 1.00 12.22 S ATOM 0 H CYS A 11 -4.627 -6.885 0.817 1.00 53.13 H new ATOM 0 HA CYS A 11 -6.718 -4.833 0.932 1.00 55.25 H new ATOM 0 HB2 CYS A 11 -4.077 -4.986 -0.535 1.00 71.31 H new ATOM 0 HB3 CYS A 11 -5.242 -3.688 -0.706 1.00 71.31 H new ATOM 175 N ARG A 12 -7.929 -5.821 -0.944 1.00 72.42 N ATOM 176 CA ARG A 12 -8.669 -6.266 -2.101 1.00 3.45 C ATOM 177 C ARG A 12 -8.705 -5.160 -3.134 1.00 45.31 C ATOM 178 O ARG A 12 -8.839 -5.413 -4.332 1.00 74.10 O ATOM 179 CB ARG A 12 -10.081 -6.736 -1.712 1.00 75.34 C ATOM 180 CG ARG A 12 -10.919 -5.714 -0.961 1.00 54.43 C ATOM 181 CD ARG A 12 -12.274 -6.275 -0.581 1.00 13.41 C ATOM 182 NE ARG A 12 -13.081 -5.306 0.181 1.00 72.35 N ATOM 183 CZ ARG A 12 -14.187 -5.608 0.885 1.00 62.13 C ATOM 184 NH1 ARG A 12 -14.632 -6.861 0.935 1.00 60.14 N ATOM 185 NH2 ARG A 12 -14.847 -4.654 1.529 1.00 43.42 N ATOM 0 H ARG A 12 -8.503 -5.412 -0.207 1.00 72.42 H new ATOM 0 HA ARG A 12 -8.165 -7.128 -2.538 1.00 3.45 H new ATOM 0 HB2 ARG A 12 -10.614 -7.023 -2.619 1.00 75.34 H new ATOM 0 HB3 ARG A 12 -9.992 -7.632 -1.097 1.00 75.34 H new ATOM 0 HG2 ARG A 12 -10.390 -5.399 -0.062 1.00 54.43 H new ATOM 0 HG3 ARG A 12 -11.052 -4.827 -1.580 1.00 54.43 H new ATOM 0 HD2 ARG A 12 -12.812 -6.564 -1.484 1.00 13.41 H new ATOM 0 HD3 ARG A 12 -12.138 -7.179 0.012 1.00 13.41 H new ATOM 0 HE ARG A 12 -12.778 -4.332 0.174 1.00 72.35 H new ATOM 0 HH11 ARG A 12 -14.134 -7.599 0.438 1.00 60.14 H new ATOM 0 HH12 ARG A 12 -15.471 -7.083 1.471 1.00 60.14 H new ATOM 0 HH21 ARG A 12 -14.516 -3.690 1.491 1.00 43.42 H new ATOM 0 HH22 ARG A 12 -15.685 -4.885 2.062 1.00 43.42 H new ATOM 199 N PHE A 13 -8.563 -3.935 -2.659 1.00 2.14 N ATOM 200 CA PHE A 13 -8.519 -2.780 -3.523 1.00 25.50 C ATOM 201 C PHE A 13 -7.234 -2.017 -3.298 1.00 22.42 C ATOM 202 O PHE A 13 -6.801 -1.823 -2.156 1.00 75.33 O ATOM 203 CB PHE A 13 -9.708 -1.840 -3.301 1.00 53.11 C ATOM 204 CG PHE A 13 -11.057 -2.456 -3.542 1.00 21.42 C ATOM 205 CD1 PHE A 13 -11.477 -2.755 -4.824 1.00 64.32 C ATOM 206 CD2 PHE A 13 -11.909 -2.722 -2.484 1.00 11.32 C ATOM 207 CE1 PHE A 13 -12.721 -3.309 -5.046 1.00 12.41 C ATOM 208 CE2 PHE A 13 -13.152 -3.278 -2.702 1.00 33.25 C ATOM 209 CZ PHE A 13 -13.557 -3.571 -3.987 1.00 14.12 C ATOM 0 H PHE A 13 -8.476 -3.719 -1.666 1.00 2.14 H new ATOM 0 HA PHE A 13 -8.569 -3.146 -4.549 1.00 25.50 H new ATOM 0 HB2 PHE A 13 -9.672 -1.469 -2.277 1.00 53.11 H new ATOM 0 HB3 PHE A 13 -9.597 -0.977 -3.957 1.00 53.11 H new ATOM 0 HD1 PHE A 13 -10.825 -2.553 -5.661 1.00 64.32 H new ATOM 0 HD2 PHE A 13 -11.597 -2.491 -1.476 1.00 11.32 H new ATOM 0 HE1 PHE A 13 -13.038 -3.537 -6.053 1.00 12.41 H new ATOM 0 HE2 PHE A 13 -13.807 -3.483 -1.868 1.00 33.25 H new ATOM 0 HZ PHE A 13 -14.530 -4.006 -4.161 1.00 14.12 H new ATOM 219 N PHE A 14 -6.638 -1.610 -4.371 1.00 11.14 N ATOM 220 CA PHE A 14 -5.420 -0.851 -4.378 1.00 21.32 C ATOM 221 C PHE A 14 -5.646 0.488 -5.048 1.00 32.23 C ATOM 222 O PHE A 14 -6.525 0.620 -5.908 1.00 60.33 O ATOM 223 CB PHE A 14 -4.341 -1.595 -5.143 1.00 21.05 C ATOM 224 CG PHE A 14 -3.900 -2.861 -4.509 1.00 15.41 C ATOM 225 CD1 PHE A 14 -3.046 -2.815 -3.445 1.00 70.31 C ATOM 226 CD2 PHE A 14 -4.319 -4.091 -4.984 1.00 63.01 C ATOM 227 CE1 PHE A 14 -2.602 -3.953 -2.848 1.00 42.45 C ATOM 228 CE2 PHE A 14 -3.881 -5.253 -4.386 1.00 30.44 C ATOM 229 CZ PHE A 14 -3.016 -5.185 -3.311 1.00 1.42 C ATOM 0 H PHE A 14 -6.997 -1.802 -5.306 1.00 11.14 H new ATOM 0 HA PHE A 14 -5.105 -0.703 -3.345 1.00 21.32 H new ATOM 0 HB2 PHE A 14 -4.709 -1.814 -6.145 1.00 21.05 H new ATOM 0 HB3 PHE A 14 -3.477 -0.940 -5.257 1.00 21.05 H new ATOM 0 HD1 PHE A 14 -2.717 -1.857 -3.071 1.00 70.31 H new ATOM 0 HD2 PHE A 14 -4.992 -4.141 -5.827 1.00 63.01 H new ATOM 0 HE1 PHE A 14 -1.924 -3.892 -2.010 1.00 42.45 H new ATOM 0 HE2 PHE A 14 -4.212 -6.212 -4.756 1.00 30.44 H new ATOM 0 HZ PHE A 14 -2.666 -6.090 -2.836 1.00 1.42 H new ATOM 239 N GLU A 15 -4.905 1.474 -4.635 1.00 42.33 N ATOM 240 CA GLU A 15 -4.961 2.767 -5.234 1.00 73.34 C ATOM 241 C GLU A 15 -3.611 3.088 -5.889 1.00 53.40 C ATOM 242 O GLU A 15 -2.555 2.889 -5.280 1.00 0.34 O ATOM 243 CB GLU A 15 -5.324 3.815 -4.184 1.00 32.24 C ATOM 244 CG GLU A 15 -5.559 5.192 -4.761 1.00 44.20 C ATOM 245 CD GLU A 15 -5.958 6.194 -3.725 1.00 12.51 C ATOM 246 OE1 GLU A 15 -7.122 6.143 -3.256 1.00 53.21 O ATOM 247 OE2 GLU A 15 -5.138 7.038 -3.377 1.00 32.21 O ATOM 0 H GLU A 15 -4.240 1.398 -3.865 1.00 42.33 H new ATOM 0 HA GLU A 15 -5.732 2.780 -6.004 1.00 73.34 H new ATOM 0 HB2 GLU A 15 -6.222 3.493 -3.656 1.00 32.24 H new ATOM 0 HB3 GLU A 15 -4.523 3.871 -3.446 1.00 32.24 H new ATOM 0 HG2 GLU A 15 -4.651 5.532 -5.258 1.00 44.20 H new ATOM 0 HG3 GLU A 15 -6.337 5.134 -5.522 1.00 44.20 H new ATOM 254 N SER A 16 -3.646 3.553 -7.116 1.00 41.42 N ATOM 255 CA SER A 16 -2.442 3.901 -7.839 1.00 12.15 C ATOM 256 C SER A 16 -2.273 5.426 -7.884 1.00 32.42 C ATOM 257 O SER A 16 -1.275 5.950 -8.392 1.00 5.42 O ATOM 258 CB SER A 16 -2.521 3.338 -9.264 1.00 54.42 C ATOM 259 OG SER A 16 -2.718 1.931 -9.250 1.00 1.00 O ATOM 0 H SER A 16 -4.508 3.701 -7.642 1.00 41.42 H new ATOM 0 HA SER A 16 -1.580 3.471 -7.328 1.00 12.15 H new ATOM 0 HB2 SER A 16 -3.339 3.817 -9.802 1.00 54.42 H new ATOM 0 HB3 SER A 16 -1.603 3.574 -9.803 1.00 54.42 H new ATOM 0 HG SER A 16 -2.766 1.598 -10.171 1.00 1.00 H new ATOM 265 N HIS A 17 -3.246 6.133 -7.335 1.00 12.25 N ATOM 266 CA HIS A 17 -3.247 7.604 -7.354 1.00 1.52 C ATOM 267 C HIS A 17 -2.572 8.180 -6.116 1.00 23.21 C ATOM 268 O HIS A 17 -2.605 9.385 -5.880 1.00 73.04 O ATOM 269 CB HIS A 17 -4.679 8.158 -7.486 1.00 65.33 C ATOM 270 CG HIS A 17 -5.383 7.766 -8.757 1.00 52.50 C ATOM 271 ND1 HIS A 17 -6.750 7.657 -8.857 1.00 24.31 N ATOM 272 CD2 HIS A 17 -4.902 7.489 -9.991 1.00 64.30 C ATOM 273 CE1 HIS A 17 -7.075 7.333 -10.088 1.00 35.43 C ATOM 274 NE2 HIS A 17 -5.975 7.226 -10.792 1.00 31.23 N ATOM 0 H HIS A 17 -4.052 5.720 -6.867 1.00 12.25 H new ATOM 0 HA HIS A 17 -2.674 7.914 -8.228 1.00 1.52 H new ATOM 0 HB2 HIS A 17 -5.269 7.812 -6.637 1.00 65.33 H new ATOM 0 HB3 HIS A 17 -4.642 9.246 -7.426 1.00 65.33 H new ATOM 0 HD2 HIS A 17 -3.863 7.478 -10.287 1.00 64.30 H new ATOM 0 HE1 HIS A 17 -8.078 7.181 -10.457 1.00 35.43 H new ATOM 0 HE2 HIS A 17 -5.928 6.984 -11.782 1.00 31.23 H new ATOM 283 N VAL A 18 -1.966 7.317 -5.343 1.00 14.51 N ATOM 284 CA VAL A 18 -1.269 7.704 -4.147 1.00 33.52 C ATOM 285 C VAL A 18 0.008 8.496 -4.492 1.00 3.02 C ATOM 286 O VAL A 18 0.827 8.052 -5.320 1.00 10.12 O ATOM 287 CB VAL A 18 -0.889 6.453 -3.325 1.00 60.22 C ATOM 288 CG1 VAL A 18 -0.183 6.842 -2.054 1.00 45.51 C ATOM 289 CG2 VAL A 18 -2.120 5.620 -3.012 1.00 75.04 C ATOM 0 H VAL A 18 -1.943 6.314 -5.529 1.00 14.51 H new ATOM 0 HA VAL A 18 -1.931 8.339 -3.559 1.00 33.52 H new ATOM 0 HB VAL A 18 -0.208 5.850 -3.926 1.00 60.22 H new ATOM 0 HG11 VAL A 18 0.075 5.945 -1.492 1.00 45.51 H new ATOM 0 HG12 VAL A 18 0.726 7.392 -2.297 1.00 45.51 H new ATOM 0 HG13 VAL A 18 -0.838 7.472 -1.452 1.00 45.51 H new ATOM 0 HG21 VAL A 18 -1.829 4.744 -2.432 1.00 75.04 H new ATOM 0 HG22 VAL A 18 -2.827 6.217 -2.436 1.00 75.04 H new ATOM 0 HG23 VAL A 18 -2.589 5.300 -3.942 1.00 75.04 H new ATOM 299 N ALA A 19 0.152 9.657 -3.881 1.00 24.31 N ATOM 300 CA ALA A 19 1.318 10.495 -4.055 1.00 20.13 C ATOM 301 C ALA A 19 2.185 10.389 -2.823 1.00 2.32 C ATOM 302 O ALA A 19 1.699 10.593 -1.713 1.00 41.01 O ATOM 303 CB ALA A 19 0.903 11.939 -4.255 1.00 73.30 C ATOM 0 H ALA A 19 -0.544 10.046 -3.245 1.00 24.31 H new ATOM 0 HA ALA A 19 1.871 10.164 -4.934 1.00 20.13 H new ATOM 0 HB1 ALA A 19 1.791 12.558 -4.385 1.00 73.30 H new ATOM 0 HB2 ALA A 19 0.273 12.017 -5.141 1.00 73.30 H new ATOM 0 HB3 ALA A 19 0.346 12.282 -3.383 1.00 73.30 H new ATOM 309 N ARG A 20 3.465 10.111 -3.011 1.00 25.52 N ATOM 310 CA ARG A 20 4.398 9.898 -1.892 1.00 14.35 C ATOM 311 C ARG A 20 4.502 11.110 -0.954 1.00 44.01 C ATOM 312 O ARG A 20 4.679 10.951 0.255 1.00 14.40 O ATOM 313 CB ARG A 20 5.775 9.476 -2.408 1.00 64.14 C ATOM 314 CG ARG A 20 6.829 9.248 -1.326 1.00 2.14 C ATOM 315 CD ARG A 20 8.127 8.727 -1.915 1.00 71.50 C ATOM 316 NE ARG A 20 8.649 9.585 -2.982 1.00 32.41 N ATOM 317 CZ ARG A 20 9.907 9.568 -3.432 1.00 53.32 C ATOM 318 NH1 ARG A 20 10.815 8.783 -2.859 1.00 35.34 N ATOM 319 NH2 ARG A 20 10.255 10.346 -4.440 1.00 55.12 N ATOM 0 H ARG A 20 3.894 10.025 -3.932 1.00 25.52 H new ATOM 0 HA ARG A 20 3.986 9.087 -1.292 1.00 14.35 H new ATOM 0 HB2 ARG A 20 5.664 8.558 -2.985 1.00 64.14 H new ATOM 0 HB3 ARG A 20 6.139 10.241 -3.093 1.00 64.14 H new ATOM 0 HG2 ARG A 20 7.017 10.182 -0.797 1.00 2.14 H new ATOM 0 HG3 ARG A 20 6.450 8.537 -0.592 1.00 2.14 H new ATOM 0 HD2 ARG A 20 8.872 8.644 -1.124 1.00 71.50 H new ATOM 0 HD3 ARG A 20 7.966 7.723 -2.308 1.00 71.50 H new ATOM 0 HE ARG A 20 8.003 10.245 -3.414 1.00 32.41 H new ATOM 0 HH11 ARG A 20 10.552 8.190 -2.072 1.00 35.34 H new ATOM 0 HH12 ARG A 20 11.774 8.774 -3.207 1.00 35.34 H new ATOM 0 HH21 ARG A 20 9.564 10.958 -4.874 1.00 55.12 H new ATOM 0 HH22 ARG A 20 11.215 10.335 -4.785 1.00 55.12 H new ATOM 333 N ALA A 21 4.361 12.304 -1.495 1.00 63.21 N ATOM 334 CA ALA A 21 4.446 13.515 -0.683 1.00 54.03 C ATOM 335 C ALA A 21 3.211 13.690 0.195 1.00 64.21 C ATOM 336 O ALA A 21 3.215 14.472 1.144 1.00 42.24 O ATOM 337 CB ALA A 21 4.668 14.743 -1.549 1.00 63.41 C ATOM 0 H ALA A 21 4.188 12.468 -2.487 1.00 63.21 H new ATOM 0 HA ALA A 21 5.308 13.403 -0.025 1.00 54.03 H new ATOM 0 HB1 ALA A 21 4.727 15.629 -0.916 1.00 63.41 H new ATOM 0 HB2 ALA A 21 5.598 14.632 -2.106 1.00 63.41 H new ATOM 0 HB3 ALA A 21 3.838 14.851 -2.247 1.00 63.41 H new ATOM 343 N ASN A 22 2.155 12.954 -0.119 1.00 75.33 N ATOM 344 CA ASN A 22 0.927 13.012 0.666 1.00 75.42 C ATOM 345 C ASN A 22 0.819 11.752 1.529 1.00 61.14 C ATOM 346 O ASN A 22 -0.114 11.571 2.284 1.00 14.01 O ATOM 347 CB ASN A 22 -0.301 13.181 -0.258 1.00 2.14 C ATOM 348 CG ASN A 22 -1.640 13.348 0.484 1.00 65.35 C ATOM 349 OD1 ASN A 22 -1.706 13.856 1.620 1.00 13.35 O ATOM 350 ND2 ASN A 22 -2.709 12.941 -0.157 1.00 21.44 N ATOM 0 H ASN A 22 2.122 12.310 -0.910 1.00 75.33 H new ATOM 0 HA ASN A 22 0.953 13.880 1.325 1.00 75.42 H new ATOM 0 HB2 ASN A 22 -0.143 14.050 -0.896 1.00 2.14 H new ATOM 0 HB3 ASN A 22 -0.369 12.313 -0.913 1.00 2.14 H new ATOM 0 HD21 ASN A 22 -3.629 13.036 0.273 1.00 21.44 H new ATOM 0 HD22 ASN A 22 -2.621 12.529 -1.086 1.00 21.44 H new ATOM 357 N VAL A 23 1.794 10.890 1.410 1.00 21.01 N ATOM 358 CA VAL A 23 1.851 9.693 2.236 1.00 11.53 C ATOM 359 C VAL A 23 2.563 10.023 3.540 1.00 71.51 C ATOM 360 O VAL A 23 3.733 10.396 3.528 1.00 5.52 O ATOM 361 CB VAL A 23 2.608 8.536 1.527 1.00 32.33 C ATOM 362 CG1 VAL A 23 2.661 7.309 2.408 1.00 61.41 C ATOM 363 CG2 VAL A 23 1.949 8.191 0.217 1.00 54.31 C ATOM 0 H VAL A 23 2.566 10.987 0.750 1.00 21.01 H new ATOM 0 HA VAL A 23 0.829 9.364 2.422 1.00 11.53 H new ATOM 0 HB VAL A 23 3.626 8.875 1.333 1.00 32.33 H new ATOM 0 HG11 VAL A 23 3.196 6.512 1.891 1.00 61.41 H new ATOM 0 HG12 VAL A 23 3.179 7.550 3.337 1.00 61.41 H new ATOM 0 HG13 VAL A 23 1.647 6.979 2.633 1.00 61.41 H new ATOM 0 HG21 VAL A 23 2.495 7.379 -0.262 1.00 54.31 H new ATOM 0 HG22 VAL A 23 0.920 7.879 0.398 1.00 54.31 H new ATOM 0 HG23 VAL A 23 1.954 9.065 -0.434 1.00 54.31 H new ATOM 373 N LYS A 24 1.863 9.916 4.653 1.00 1.31 N ATOM 374 CA LYS A 24 2.440 10.187 5.933 1.00 42.05 C ATOM 375 C LYS A 24 3.386 9.074 6.300 1.00 14.53 C ATOM 376 O LYS A 24 4.528 9.302 6.691 1.00 4.02 O ATOM 377 CB LYS A 24 1.337 10.294 6.950 1.00 3.03 C ATOM 378 CG LYS A 24 1.806 10.664 8.281 1.00 62.51 C ATOM 379 CD LYS A 24 0.648 10.865 9.177 1.00 40.12 C ATOM 380 CE LYS A 24 -0.039 12.207 8.956 1.00 75.14 C ATOM 381 NZ LYS A 24 -1.126 12.456 9.926 1.00 14.31 N ATOM 0 H LYS A 24 0.882 9.639 4.684 1.00 1.31 H new ATOM 0 HA LYS A 24 2.996 11.124 5.906 1.00 42.05 H new ATOM 0 HB2 LYS A 24 0.611 11.033 6.611 1.00 3.03 H new ATOM 0 HB3 LYS A 24 0.815 9.339 7.010 1.00 3.03 H new ATOM 0 HG2 LYS A 24 2.455 9.884 8.679 1.00 62.51 H new ATOM 0 HG3 LYS A 24 2.400 11.576 8.228 1.00 62.51 H new ATOM 0 HD2 LYS A 24 -0.072 10.062 9.019 1.00 40.12 H new ATOM 0 HD3 LYS A 24 0.979 10.797 10.213 1.00 40.12 H new ATOM 0 HE2 LYS A 24 0.699 13.005 9.030 1.00 75.14 H new ATOM 0 HE3 LYS A 24 -0.445 12.241 7.945 1.00 75.14 H new ATOM 0 HZ1 LYS A 24 -2.030 12.544 9.419 1.00 14.31 H new ATOM 0 HZ2 LYS A 24 -1.181 11.663 10.597 1.00 14.31 H new ATOM 0 HZ3 LYS A 24 -0.933 13.336 10.445 1.00 14.31 H new ATOM 395 N ARG A 25 2.900 7.886 6.165 1.00 15.43 N ATOM 396 CA ARG A 25 3.666 6.692 6.410 1.00 4.24 C ATOM 397 C ARG A 25 3.080 5.581 5.566 1.00 15.22 C ATOM 398 O ARG A 25 1.854 5.538 5.364 1.00 22.34 O ATOM 399 CB ARG A 25 3.598 6.313 7.899 1.00 11.32 C ATOM 400 CG ARG A 25 4.390 5.065 8.264 1.00 23.42 C ATOM 401 CD ARG A 25 4.239 4.705 9.735 1.00 25.50 C ATOM 402 NE ARG A 25 4.759 5.734 10.640 1.00 32.11 N ATOM 403 CZ ARG A 25 4.538 5.759 11.964 1.00 35.31 C ATOM 404 NH1 ARG A 25 3.700 4.889 12.519 1.00 12.50 N ATOM 405 NH2 ARG A 25 5.127 6.678 12.720 1.00 33.15 N ATOM 0 H ARG A 25 1.939 7.705 5.875 1.00 15.43 H new ATOM 0 HA ARG A 25 4.712 6.856 6.149 1.00 4.24 H new ATOM 0 HB2 ARG A 25 3.967 7.150 8.492 1.00 11.32 H new ATOM 0 HB3 ARG A 25 2.555 6.161 8.176 1.00 11.32 H new ATOM 0 HG2 ARG A 25 4.054 4.230 7.650 1.00 23.42 H new ATOM 0 HG3 ARG A 25 5.444 5.225 8.036 1.00 23.42 H new ATOM 0 HD2 ARG A 25 3.185 4.537 9.954 1.00 25.50 H new ATOM 0 HD3 ARG A 25 4.758 3.766 9.927 1.00 25.50 H new ATOM 0 HE ARG A 25 5.326 6.480 10.237 1.00 32.11 H new ATOM 0 HH11 ARG A 25 3.222 4.199 11.939 1.00 12.50 H new ATOM 0 HH12 ARG A 25 3.535 4.911 13.525 1.00 12.50 H new ATOM 0 HH21 ARG A 25 5.748 7.366 12.295 1.00 33.15 H new ATOM 0 HH22 ARG A 25 4.958 6.696 13.726 1.00 33.15 H new ATOM 419 N LEU A 26 3.926 4.721 5.042 1.00 40.01 N ATOM 420 CA LEU A 26 3.458 3.594 4.287 1.00 33.21 C ATOM 421 C LEU A 26 4.167 2.360 4.741 1.00 30.45 C ATOM 422 O LEU A 26 5.239 2.439 5.353 1.00 2.51 O ATOM 423 CB LEU A 26 3.658 3.726 2.765 1.00 74.42 C ATOM 424 CG LEU A 26 5.089 3.684 2.217 1.00 21.53 C ATOM 425 CD1 LEU A 26 5.029 3.393 0.751 1.00 40.33 C ATOM 426 CD2 LEU A 26 5.814 5.002 2.424 1.00 73.02 C ATOM 0 H LEU A 26 4.940 4.786 5.128 1.00 40.01 H new ATOM 0 HA LEU A 26 2.385 3.542 4.469 1.00 33.21 H new ATOM 0 HB2 LEU A 26 3.094 2.927 2.284 1.00 74.42 H new ATOM 0 HB3 LEU A 26 3.208 4.668 2.450 1.00 74.42 H new ATOM 0 HG LEU A 26 5.637 2.910 2.754 1.00 21.53 H new ATOM 0 HD11 LEU A 26 6.040 3.360 0.345 1.00 40.33 H new ATOM 0 HD12 LEU A 26 4.542 2.431 0.591 1.00 40.33 H new ATOM 0 HD13 LEU A 26 4.462 4.176 0.248 1.00 40.33 H new ATOM 0 HD21 LEU A 26 6.824 4.929 2.021 1.00 73.02 H new ATOM 0 HD22 LEU A 26 5.275 5.798 1.910 1.00 73.02 H new ATOM 0 HD23 LEU A 26 5.864 5.227 3.489 1.00 73.02 H new ATOM 438 N LYS A 27 3.584 1.234 4.447 1.00 24.31 N ATOM 439 CA LYS A 27 4.154 -0.045 4.770 1.00 11.51 C ATOM 440 C LYS A 27 3.861 -1.009 3.675 1.00 45.32 C ATOM 441 O LYS A 27 2.803 -0.944 3.044 1.00 53.53 O ATOM 442 CB LYS A 27 3.587 -0.591 6.075 1.00 22.33 C ATOM 443 CG LYS A 27 3.945 0.224 7.279 1.00 34.42 C ATOM 444 CD LYS A 27 3.210 -0.250 8.508 1.00 22.14 C ATOM 445 CE LYS A 27 3.470 0.657 9.695 1.00 51.21 C ATOM 446 NZ LYS A 27 2.704 0.229 10.884 1.00 44.41 N ATOM 0 H LYS A 27 2.685 1.176 3.969 1.00 24.31 H new ATOM 0 HA LYS A 27 5.230 0.084 4.886 1.00 11.51 H new ATOM 0 HB2 LYS A 27 2.501 -0.644 5.994 1.00 22.33 H new ATOM 0 HB3 LYS A 27 3.946 -1.610 6.218 1.00 22.33 H new ATOM 0 HG2 LYS A 27 5.020 0.166 7.452 1.00 34.42 H new ATOM 0 HG3 LYS A 27 3.708 1.272 7.094 1.00 34.42 H new ATOM 0 HD2 LYS A 27 2.140 -0.285 8.303 1.00 22.14 H new ATOM 0 HD3 LYS A 27 3.521 -1.266 8.750 1.00 22.14 H new ATOM 0 HE2 LYS A 27 4.535 0.656 9.928 1.00 51.21 H new ATOM 0 HE3 LYS A 27 3.201 1.681 9.437 1.00 51.21 H new ATOM 0 HZ1 LYS A 27 2.906 0.871 11.677 1.00 44.41 H new ATOM 0 HZ2 LYS A 27 1.687 0.253 10.669 1.00 44.41 H new ATOM 0 HZ3 LYS A 27 2.980 -0.739 11.144 1.00 44.41 H new ATOM 460 N ILE A 28 4.786 -1.869 3.441 1.00 32.44 N ATOM 461 CA ILE A 28 4.632 -2.932 2.470 1.00 54.15 C ATOM 462 C ILE A 28 4.599 -4.240 3.209 1.00 63.15 C ATOM 463 O ILE A 28 5.598 -4.656 3.795 1.00 23.25 O ATOM 464 CB ILE A 28 5.763 -2.954 1.386 1.00 33.11 C ATOM 465 CG1 ILE A 28 5.714 -1.690 0.519 1.00 21.41 C ATOM 466 CG2 ILE A 28 5.683 -4.202 0.515 1.00 54.51 C ATOM 467 CD1 ILE A 28 6.686 -1.700 -0.648 1.00 14.42 C ATOM 0 H ILE A 28 5.689 -1.868 3.916 1.00 32.44 H new ATOM 0 HA ILE A 28 3.703 -2.759 1.928 1.00 54.15 H new ATOM 0 HB ILE A 28 6.717 -2.977 1.913 1.00 33.11 H new ATOM 0 HG12 ILE A 28 4.702 -1.566 0.134 1.00 21.41 H new ATOM 0 HG13 ILE A 28 5.925 -0.824 1.146 1.00 21.41 H new ATOM 0 HG21 ILE A 28 6.483 -4.181 -0.225 1.00 54.51 H new ATOM 0 HG22 ILE A 28 5.789 -5.089 1.140 1.00 54.51 H new ATOM 0 HG23 ILE A 28 4.719 -4.229 0.006 1.00 54.51 H new ATOM 0 HD11 ILE A 28 6.589 -0.772 -1.211 1.00 14.42 H new ATOM 0 HD12 ILE A 28 7.705 -1.791 -0.272 1.00 14.42 H new ATOM 0 HD13 ILE A 28 6.463 -2.544 -1.300 1.00 14.42 H new ATOM 479 N LEU A 29 3.468 -4.869 3.220 1.00 14.32 N ATOM 480 CA LEU A 29 3.322 -6.092 3.940 1.00 24.45 C ATOM 481 C LEU A 29 3.458 -7.247 2.948 1.00 11.41 C ATOM 482 O LEU A 29 2.601 -7.437 2.064 1.00 74.33 O ATOM 483 CB LEU A 29 1.956 -6.107 4.673 1.00 2.41 C ATOM 484 CG LEU A 29 1.786 -7.065 5.884 1.00 53.12 C ATOM 485 CD1 LEU A 29 0.419 -6.881 6.506 1.00 65.45 C ATOM 486 CD2 LEU A 29 1.985 -8.519 5.509 1.00 62.31 C ATOM 0 H LEU A 29 2.628 -4.554 2.736 1.00 14.32 H new ATOM 0 HA LEU A 29 4.094 -6.195 4.702 1.00 24.45 H new ATOM 0 HB2 LEU A 29 1.752 -5.094 5.018 1.00 2.41 H new ATOM 0 HB3 LEU A 29 1.187 -6.355 3.941 1.00 2.41 H new ATOM 0 HG LEU A 29 2.561 -6.806 6.605 1.00 53.12 H new ATOM 0 HD11 LEU A 29 0.311 -7.558 7.354 1.00 65.45 H new ATOM 0 HD12 LEU A 29 0.310 -5.851 6.847 1.00 65.45 H new ATOM 0 HD13 LEU A 29 -0.350 -7.101 5.766 1.00 65.45 H new ATOM 0 HD21 LEU A 29 1.855 -9.144 6.393 1.00 62.31 H new ATOM 0 HD22 LEU A 29 1.253 -8.803 4.753 1.00 62.31 H new ATOM 0 HD23 LEU A 29 2.990 -8.658 5.111 1.00 62.31 H new ATOM 498 N ASN A 30 4.544 -7.974 3.079 1.00 3.51 N ATOM 499 CA ASN A 30 4.833 -9.119 2.232 1.00 41.20 C ATOM 500 C ASN A 30 4.172 -10.331 2.836 1.00 4.11 C ATOM 501 O ASN A 30 4.599 -10.826 3.882 1.00 13.10 O ATOM 502 CB ASN A 30 6.358 -9.376 2.143 1.00 43.11 C ATOM 503 CG ASN A 30 7.167 -8.226 1.557 1.00 21.41 C ATOM 504 OD1 ASN A 30 7.590 -7.314 2.277 1.00 74.45 O ATOM 505 ND2 ASN A 30 7.437 -8.281 0.277 1.00 52.43 N ATOM 0 H ASN A 30 5.261 -7.789 3.781 1.00 3.51 H new ATOM 0 HA ASN A 30 4.457 -8.921 1.228 1.00 41.20 H new ATOM 0 HB2 ASN A 30 6.734 -9.594 3.142 1.00 43.11 H new ATOM 0 HB3 ASN A 30 6.527 -10.266 1.537 1.00 43.11 H new ATOM 0 HD21 ASN A 30 8.012 -7.558 -0.154 1.00 52.43 H new ATOM 0 HD22 ASN A 30 7.072 -9.047 -0.289 1.00 52.43 H new ATOM 512 N THR A 31 3.119 -10.764 2.222 1.00 61.32 N ATOM 513 CA THR A 31 2.379 -11.911 2.684 1.00 54.32 C ATOM 514 C THR A 31 2.852 -13.180 1.985 1.00 32.41 C ATOM 515 O THR A 31 3.345 -13.107 0.864 1.00 53.51 O ATOM 516 CB THR A 31 0.913 -11.706 2.363 1.00 71.45 C ATOM 517 OG1 THR A 31 0.838 -11.230 1.018 1.00 63.13 O ATOM 518 CG2 THR A 31 0.265 -10.712 3.298 1.00 50.24 C ATOM 0 H THR A 31 2.739 -10.334 1.379 1.00 61.32 H new ATOM 0 HA THR A 31 2.535 -12.018 3.757 1.00 54.32 H new ATOM 0 HB THR A 31 0.378 -12.648 2.485 1.00 71.45 H new ATOM 0 HG1 THR A 31 1.633 -11.520 0.523 1.00 63.13 H new ATOM 0 HG21 THR A 31 -0.786 -10.595 3.033 1.00 50.24 H new ATOM 0 HG22 THR A 31 0.342 -11.073 4.323 1.00 50.24 H new ATOM 0 HG23 THR A 31 0.770 -9.750 3.213 1.00 50.24 H new ATOM 526 N PRO A 32 2.725 -14.350 2.636 1.00 42.12 N ATOM 527 CA PRO A 32 3.072 -15.641 2.026 1.00 55.15 C ATOM 528 C PRO A 32 2.102 -16.060 0.902 1.00 42.13 C ATOM 529 O PRO A 32 2.522 -16.329 -0.219 1.00 35.04 O ATOM 530 CB PRO A 32 3.003 -16.640 3.196 1.00 31.12 C ATOM 531 CG PRO A 32 2.956 -15.800 4.433 1.00 11.35 C ATOM 532 CD PRO A 32 2.306 -14.510 4.037 1.00 12.45 C ATOM 0 HA PRO A 32 4.050 -15.596 1.546 1.00 55.15 H new ATOM 0 HB2 PRO A 32 2.121 -17.275 3.119 1.00 31.12 H new ATOM 0 HB3 PRO A 32 3.871 -17.299 3.201 1.00 31.12 H new ATOM 0 HG2 PRO A 32 2.388 -16.297 5.220 1.00 11.35 H new ATOM 0 HG3 PRO A 32 3.958 -15.627 4.824 1.00 11.35 H new ATOM 0 HD2 PRO A 32 1.221 -14.558 4.132 1.00 12.45 H new ATOM 0 HD3 PRO A 32 2.644 -13.680 4.657 1.00 12.45 H new ATOM 540 N ASN A 33 0.807 -16.117 1.213 1.00 73.24 N ATOM 541 CA ASN A 33 -0.208 -16.562 0.207 1.00 33.31 C ATOM 542 C ASN A 33 -0.479 -15.503 -0.867 1.00 13.02 C ATOM 543 O ASN A 33 -0.948 -15.818 -1.961 1.00 11.14 O ATOM 544 CB ASN A 33 -1.550 -17.033 0.836 1.00 24.23 C ATOM 545 CG ASN A 33 -2.450 -15.924 1.418 1.00 63.31 C ATOM 546 OD1 ASN A 33 -3.675 -16.041 1.378 1.00 60.11 O ATOM 547 ND2 ASN A 33 -1.878 -14.893 2.003 1.00 30.15 N ATOM 0 H ASN A 33 0.424 -15.871 2.126 1.00 73.24 H new ATOM 0 HA ASN A 33 0.250 -17.429 -0.269 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.116 -17.571 0.075 1.00 24.23 H new ATOM 0 HB3 ASN A 33 -1.326 -17.746 1.630 1.00 24.23 H new ATOM 0 HD21 ASN A 33 -2.452 -14.169 2.436 1.00 30.15 H new ATOM 0 HD22 ASN A 33 -0.861 -14.818 2.024 1.00 30.15 H new ATOM 554 N CYS A 34 -0.206 -14.274 -0.548 1.00 73.32 N ATOM 555 CA CYS A 34 -0.356 -13.184 -1.470 1.00 3.22 C ATOM 556 C CYS A 34 1.039 -12.650 -1.747 1.00 60.11 C ATOM 557 O CYS A 34 2.001 -13.400 -1.643 1.00 14.42 O ATOM 558 CB CYS A 34 -1.255 -12.114 -0.838 1.00 24.44 C ATOM 559 SG CYS A 34 -2.955 -12.661 -0.476 1.00 74.12 S ATOM 0 H CYS A 34 0.132 -13.994 0.373 1.00 73.32 H new ATOM 0 HA CYS A 34 -0.824 -13.495 -2.404 1.00 3.22 H new ATOM 0 HB2 CYS A 34 -0.793 -11.772 0.088 1.00 24.44 H new ATOM 0 HB3 CYS A 34 -1.299 -11.255 -1.508 1.00 24.44 H new ATOM 564 N ALA A 35 1.171 -11.398 -2.086 1.00 53.43 N ATOM 565 CA ALA A 35 2.477 -10.867 -2.372 1.00 40.25 C ATOM 566 C ALA A 35 2.685 -9.524 -1.710 1.00 63.11 C ATOM 567 O ALA A 35 3.214 -9.453 -0.594 1.00 73.24 O ATOM 568 CB ALA A 35 2.747 -10.809 -3.873 1.00 13.24 C ATOM 0 H ALA A 35 0.403 -10.733 -2.171 1.00 53.43 H new ATOM 0 HA ALA A 35 3.208 -11.554 -1.945 1.00 40.25 H new ATOM 0 HB1 ALA A 35 3.743 -10.402 -4.048 1.00 13.24 H new ATOM 0 HB2 ALA A 35 2.686 -11.813 -4.293 1.00 13.24 H new ATOM 0 HB3 ALA A 35 2.005 -10.170 -4.352 1.00 13.24 H new ATOM 574 N LEU A 36 2.221 -8.468 -2.347 1.00 10.31 N ATOM 575 CA LEU A 36 2.450 -7.136 -1.845 1.00 63.43 C ATOM 576 C LEU A 36 1.184 -6.394 -1.580 1.00 41.03 C ATOM 577 O LEU A 36 0.407 -6.118 -2.499 1.00 20.53 O ATOM 578 CB LEU A 36 3.298 -6.315 -2.813 1.00 11.30 C ATOM 579 CG LEU A 36 4.704 -6.810 -3.082 1.00 64.01 C ATOM 580 CD1 LEU A 36 5.409 -5.878 -4.047 1.00 75.34 C ATOM 581 CD2 LEU A 36 5.474 -6.905 -1.793 1.00 4.10 C ATOM 0 H LEU A 36 1.684 -8.510 -3.213 1.00 10.31 H new ATOM 0 HA LEU A 36 2.980 -7.267 -0.902 1.00 63.43 H new ATOM 0 HB2 LEU A 36 2.770 -6.261 -3.765 1.00 11.30 H new ATOM 0 HB3 LEU A 36 3.365 -5.298 -2.427 1.00 11.30 H new ATOM 0 HG LEU A 36 4.649 -7.802 -3.531 1.00 64.01 H new ATOM 0 HD11 LEU A 36 6.419 -6.243 -4.233 1.00 75.34 H new ATOM 0 HD12 LEU A 36 4.857 -5.842 -4.986 1.00 75.34 H new ATOM 0 HD13 LEU A 36 5.459 -4.878 -3.616 1.00 75.34 H new ATOM 0 HD21 LEU A 36 6.483 -7.262 -1.998 1.00 4.10 H new ATOM 0 HD22 LEU A 36 5.525 -5.921 -1.326 1.00 4.10 H new ATOM 0 HD23 LEU A 36 4.973 -7.601 -1.120 1.00 4.10 H new ATOM 593 N GLN A 37 0.971 -6.083 -0.337 1.00 1.10 N ATOM 594 CA GLN A 37 -0.089 -5.211 0.045 1.00 33.12 C ATOM 595 C GLN A 37 0.556 -4.024 0.685 1.00 73.41 C ATOM 596 O GLN A 37 1.363 -4.171 1.603 1.00 11.43 O ATOM 597 CB GLN A 37 -1.098 -5.874 1.012 1.00 64.42 C ATOM 598 CG GLN A 37 -1.906 -7.044 0.429 1.00 11.31 C ATOM 599 CD GLN A 37 -1.100 -8.300 0.133 1.00 62.23 C ATOM 600 OE1 GLN A 37 -1.416 -9.045 -0.778 1.00 60.50 O ATOM 601 NE2 GLN A 37 -0.077 -8.555 0.913 1.00 74.41 N ATOM 0 H GLN A 37 1.532 -6.430 0.441 1.00 1.10 H new ATOM 0 HA GLN A 37 -0.674 -4.935 -0.833 1.00 33.12 H new ATOM 0 HB2 GLN A 37 -0.555 -6.231 1.887 1.00 64.42 H new ATOM 0 HB3 GLN A 37 -1.795 -5.112 1.360 1.00 64.42 H new ATOM 0 HG2 GLN A 37 -2.703 -7.299 1.127 1.00 11.31 H new ATOM 0 HG3 GLN A 37 -2.384 -6.712 -0.493 1.00 11.31 H new ATOM 0 HE21 GLN A 37 0.162 -7.911 1.667 1.00 74.41 H new ATOM 0 HE22 GLN A 37 0.480 -9.397 0.765 1.00 74.41 H new ATOM 610 N ILE A 38 0.233 -2.869 0.213 1.00 11.40 N ATOM 611 CA ILE A 38 0.868 -1.666 0.677 1.00 22.32 C ATOM 612 C ILE A 38 -0.194 -0.743 1.223 1.00 51.31 C ATOM 613 O ILE A 38 -1.329 -0.814 0.794 1.00 32.14 O ATOM 614 CB ILE A 38 1.583 -0.977 -0.501 1.00 55.44 C ATOM 615 CG1 ILE A 38 2.416 -2.000 -1.272 1.00 12.34 C ATOM 616 CG2 ILE A 38 2.481 0.153 0.006 1.00 70.50 C ATOM 617 CD1 ILE A 38 3.105 -1.431 -2.467 1.00 60.11 C ATOM 0 H ILE A 38 -0.477 -2.723 -0.505 1.00 11.40 H new ATOM 0 HA ILE A 38 1.596 -1.903 1.453 1.00 22.32 H new ATOM 0 HB ILE A 38 0.832 -0.552 -1.166 1.00 55.44 H new ATOM 0 HG12 ILE A 38 3.162 -2.427 -0.602 1.00 12.34 H new ATOM 0 HG13 ILE A 38 1.769 -2.817 -1.591 1.00 12.34 H new ATOM 0 HG21 ILE A 38 2.979 0.629 -0.839 1.00 70.50 H new ATOM 0 HG22 ILE A 38 1.875 0.890 0.533 1.00 70.50 H new ATOM 0 HG23 ILE A 38 3.230 -0.254 0.686 1.00 70.50 H new ATOM 0 HD11 ILE A 38 3.677 -2.214 -2.964 1.00 60.11 H new ATOM 0 HD12 ILE A 38 2.364 -1.029 -3.157 1.00 60.11 H new ATOM 0 HD13 ILE A 38 3.779 -0.634 -2.153 1.00 60.11 H new ATOM 629 N VAL A 39 0.153 0.099 2.163 1.00 73.44 N ATOM 630 CA VAL A 39 -0.812 1.017 2.756 1.00 12.12 C ATOM 631 C VAL A 39 -0.285 2.444 2.758 1.00 51.12 C ATOM 632 O VAL A 39 0.882 2.660 3.009 1.00 21.53 O ATOM 633 CB VAL A 39 -1.230 0.598 4.192 1.00 20.13 C ATOM 634 CG1 VAL A 39 -1.974 -0.734 4.176 1.00 52.31 C ATOM 635 CG2 VAL A 39 -0.015 0.507 5.108 1.00 33.12 C ATOM 0 H VAL A 39 1.097 0.175 2.541 1.00 73.44 H new ATOM 0 HA VAL A 39 -1.703 0.970 2.130 1.00 12.12 H new ATOM 0 HB VAL A 39 -1.900 1.366 4.579 1.00 20.13 H new ATOM 0 HG11 VAL A 39 -2.256 -1.006 5.193 1.00 52.31 H new ATOM 0 HG12 VAL A 39 -2.871 -0.643 3.563 1.00 52.31 H new ATOM 0 HG13 VAL A 39 -1.328 -1.507 3.760 1.00 52.31 H new ATOM 0 HG21 VAL A 39 -0.334 0.212 6.108 1.00 33.12 H new ATOM 0 HG22 VAL A 39 0.681 -0.234 4.716 1.00 33.12 H new ATOM 0 HG23 VAL A 39 0.478 1.478 5.156 1.00 33.12 H new ATOM 645 N ALA A 40 -1.143 3.391 2.450 1.00 44.44 N ATOM 646 CA ALA A 40 -0.794 4.799 2.453 1.00 41.20 C ATOM 647 C ALA A 40 -1.753 5.565 3.303 1.00 15.41 C ATOM 648 O ALA A 40 -2.949 5.589 3.013 1.00 65.22 O ATOM 649 CB ALA A 40 -0.872 5.379 1.050 1.00 34.24 C ATOM 0 H ALA A 40 -2.111 3.207 2.188 1.00 44.44 H new ATOM 0 HA ALA A 40 0.222 4.882 2.840 1.00 41.20 H new ATOM 0 HB1 ALA A 40 -0.606 6.436 1.078 1.00 34.24 H new ATOM 0 HB2 ALA A 40 -0.179 4.848 0.398 1.00 34.24 H new ATOM 0 HB3 ALA A 40 -1.887 5.270 0.667 1.00 34.24 H new ATOM 655 N ARG A 41 -1.273 6.159 4.352 1.00 33.51 N ATOM 656 CA ARG A 41 -2.107 7.051 5.098 1.00 5.52 C ATOM 657 C ARG A 41 -1.809 8.450 4.680 1.00 4.43 C ATOM 658 O ARG A 41 -0.658 8.888 4.723 1.00 3.22 O ATOM 659 CB ARG A 41 -1.989 6.864 6.593 1.00 34.52 C ATOM 660 CG ARG A 41 -2.824 7.841 7.387 1.00 21.43 C ATOM 661 CD ARG A 41 -2.969 7.367 8.805 1.00 73.12 C ATOM 662 NE ARG A 41 -3.715 8.309 9.650 1.00 43.23 N ATOM 663 CZ ARG A 41 -4.707 7.970 10.491 1.00 61.14 C ATOM 664 NH1 ARG A 41 -5.157 6.719 10.532 1.00 71.43 N ATOM 665 NH2 ARG A 41 -5.247 8.889 11.287 1.00 64.10 N ATOM 0 H ARG A 41 -0.324 6.046 4.707 1.00 33.51 H new ATOM 0 HA ARG A 41 -3.148 6.819 4.871 1.00 5.52 H new ATOM 0 HB2 ARG A 41 -2.289 5.848 6.850 1.00 34.52 H new ATOM 0 HB3 ARG A 41 -0.944 6.970 6.884 1.00 34.52 H new ATOM 0 HG2 ARG A 41 -2.358 8.826 7.371 1.00 21.43 H new ATOM 0 HG3 ARG A 41 -3.807 7.946 6.929 1.00 21.43 H new ATOM 0 HD2 ARG A 41 -3.476 6.402 8.810 1.00 73.12 H new ATOM 0 HD3 ARG A 41 -1.979 7.209 9.233 1.00 73.12 H new ATOM 0 HE ARG A 41 -3.461 9.295 9.594 1.00 43.23 H new ATOM 0 HH11 ARG A 41 -4.749 6.010 9.923 1.00 71.43 H new ATOM 0 HH12 ARG A 41 -5.910 6.469 11.173 1.00 71.43 H new ATOM 0 HH21 ARG A 41 -4.908 9.851 11.259 1.00 64.10 H new ATOM 0 HH22 ARG A 41 -6.000 8.632 11.925 1.00 64.10 H new ATOM 679 N LEU A 42 -2.829 9.143 4.264 1.00 33.44 N ATOM 680 CA LEU A 42 -2.647 10.476 3.705 1.00 54.41 C ATOM 681 C LEU A 42 -2.312 11.493 4.770 1.00 64.33 C ATOM 682 O LEU A 42 -2.834 11.438 5.869 1.00 74.25 O ATOM 683 CB LEU A 42 -3.874 10.960 2.893 1.00 41.12 C ATOM 684 CG LEU A 42 -4.367 10.055 1.747 1.00 53.22 C ATOM 685 CD1 LEU A 42 -5.219 10.827 0.744 1.00 24.53 C ATOM 686 CD2 LEU A 42 -3.242 9.287 1.064 1.00 5.31 C ATOM 0 H LEU A 42 -3.796 8.820 4.295 1.00 33.44 H new ATOM 0 HA LEU A 42 -1.804 10.390 3.020 1.00 54.41 H new ATOM 0 HB2 LEU A 42 -4.702 11.105 3.587 1.00 41.12 H new ATOM 0 HB3 LEU A 42 -3.636 11.937 2.472 1.00 41.12 H new ATOM 0 HG LEU A 42 -5.005 9.302 2.210 1.00 53.22 H new ATOM 0 HD11 LEU A 42 -5.547 10.154 -0.048 1.00 24.53 H new ATOM 0 HD12 LEU A 42 -6.090 11.243 1.251 1.00 24.53 H new ATOM 0 HD13 LEU A 42 -4.629 11.636 0.312 1.00 24.53 H new ATOM 0 HD21 LEU A 42 -3.655 8.669 0.267 1.00 5.31 H new ATOM 0 HD22 LEU A 42 -2.525 9.991 0.642 1.00 5.31 H new ATOM 0 HD23 LEU A 42 -2.740 8.651 1.793 1.00 5.31 H new ATOM 698 N LYS A 43 -1.414 12.385 4.451 1.00 61.44 N ATOM 699 CA LYS A 43 -1.077 13.479 5.332 1.00 50.34 C ATOM 700 C LYS A 43 -2.239 14.450 5.403 1.00 43.42 C ATOM 701 O LYS A 43 -2.572 14.979 6.465 1.00 71.14 O ATOM 702 CB LYS A 43 0.168 14.215 4.848 1.00 31.30 C ATOM 703 CG LYS A 43 1.401 13.393 4.813 1.00 64.22 C ATOM 704 CD LYS A 43 2.554 14.210 4.303 1.00 21.34 C ATOM 705 CE LYS A 43 3.824 13.484 4.538 1.00 73.14 C ATOM 706 NZ LYS A 43 5.016 14.229 4.075 1.00 23.34 N ATOM 0 H LYS A 43 -0.893 12.377 3.574 1.00 61.44 H new ATOM 0 HA LYS A 43 -0.871 13.068 6.320 1.00 50.34 H new ATOM 0 HB2 LYS A 43 -0.022 14.603 3.847 1.00 31.30 H new ATOM 0 HB3 LYS A 43 0.340 15.075 5.496 1.00 31.30 H new ATOM 0 HG2 LYS A 43 1.625 13.018 5.811 1.00 64.22 H new ATOM 0 HG3 LYS A 43 1.250 12.524 4.172 1.00 64.22 H new ATOM 0 HD2 LYS A 43 2.429 14.408 3.238 1.00 21.34 H new ATOM 0 HD3 LYS A 43 2.578 15.176 4.806 1.00 21.34 H new ATOM 0 HE2 LYS A 43 3.925 13.276 5.603 1.00 73.14 H new ATOM 0 HE3 LYS A 43 3.784 12.521 4.028 1.00 73.14 H new ATOM 0 HZ1 LYS A 43 5.871 13.669 4.267 1.00 23.34 H new ATOM 0 HZ2 LYS A 43 4.940 14.405 3.053 1.00 23.34 H new ATOM 0 HZ3 LYS A 43 5.076 15.137 4.579 1.00 23.34 H new ATOM 720 N ASN A 44 -2.844 14.677 4.256 1.00 55.34 N ATOM 721 CA ASN A 44 -3.968 15.580 4.148 1.00 60.43 C ATOM 722 C ASN A 44 -5.276 14.918 4.547 1.00 51.45 C ATOM 723 O ASN A 44 -5.948 15.363 5.477 1.00 61.22 O ATOM 724 CB ASN A 44 -4.069 16.151 2.726 1.00 12.21 C ATOM 725 CG ASN A 44 -5.316 16.998 2.515 1.00 53.34 C ATOM 726 OD1 ASN A 44 -6.358 16.488 2.108 1.00 42.51 O ATOM 727 ND2 ASN A 44 -5.229 18.270 2.799 1.00 52.02 N ATOM 0 H ASN A 44 -2.571 14.242 3.375 1.00 55.34 H new ATOM 0 HA ASN A 44 -3.791 16.397 4.847 1.00 60.43 H new ATOM 0 HB2 ASN A 44 -3.186 16.756 2.519 1.00 12.21 H new ATOM 0 HB3 ASN A 44 -4.068 15.330 2.009 1.00 12.21 H new ATOM 0 HD21 ASN A 44 -6.042 18.875 2.685 1.00 52.02 H new ATOM 0 HD22 ASN A 44 -4.348 18.659 3.135 1.00 52.02 H new ATOM 734 N ASN A 45 -5.632 13.842 3.864 1.00 71.15 N ATOM 735 CA ASN A 45 -6.923 13.201 4.107 1.00 11.42 C ATOM 736 C ASN A 45 -6.909 12.368 5.376 1.00 34.43 C ATOM 737 O ASN A 45 -7.953 12.110 5.970 1.00 71.44 O ATOM 738 CB ASN A 45 -7.366 12.361 2.908 1.00 60.32 C ATOM 739 CG ASN A 45 -8.808 11.869 3.004 1.00 24.21 C ATOM 740 OD1 ASN A 45 -9.655 12.505 3.634 1.00 0.53 O ATOM 741 ND2 ASN A 45 -9.104 10.764 2.361 1.00 20.30 N ATOM 0 H ASN A 45 -5.059 13.397 3.147 1.00 71.15 H new ATOM 0 HA ASN A 45 -7.653 13.999 4.245 1.00 11.42 H new ATOM 0 HB2 ASN A 45 -7.253 12.952 1.999 1.00 60.32 H new ATOM 0 HB3 ASN A 45 -6.703 11.501 2.813 1.00 60.32 H new ATOM 0 HD21 ASN A 45 -10.060 10.407 2.373 1.00 20.30 H new ATOM 0 HD22 ASN A 45 -8.379 10.262 1.849 1.00 20.30 H new ATOM 748 N ASN A 46 -5.708 11.966 5.797 1.00 5.24 N ATOM 749 CA ASN A 46 -5.494 11.123 6.986 1.00 25.13 C ATOM 750 C ASN A 46 -6.176 9.782 6.883 1.00 10.32 C ATOM 751 O ASN A 46 -6.339 9.076 7.871 1.00 53.55 O ATOM 752 CB ASN A 46 -5.842 11.840 8.292 1.00 44.40 C ATOM 753 CG ASN A 46 -4.886 12.975 8.608 1.00 44.32 C ATOM 754 OD1 ASN A 46 -3.855 12.765 9.244 1.00 60.42 O ATOM 755 ND2 ASN A 46 -5.210 14.171 8.189 1.00 40.21 N ATOM 0 H ASN A 46 -4.843 12.217 5.319 1.00 5.24 H new ATOM 0 HA ASN A 46 -4.422 10.926 7.014 1.00 25.13 H new ATOM 0 HB2 ASN A 46 -6.857 12.232 8.227 1.00 44.40 H new ATOM 0 HB3 ASN A 46 -5.830 11.121 9.111 1.00 44.40 H new ATOM 0 HD21 ASN A 46 -4.600 14.964 8.388 1.00 40.21 H new ATOM 0 HD22 ASN A 46 -6.073 14.311 7.664 1.00 40.21 H new ATOM 762 N ARG A 47 -6.527 9.408 5.677 1.00 31.00 N ATOM 763 CA ARG A 47 -7.133 8.175 5.431 1.00 43.52 C ATOM 764 C ARG A 47 -6.093 7.235 4.896 1.00 33.14 C ATOM 765 O ARG A 47 -5.142 7.656 4.241 1.00 15.30 O ATOM 766 CB ARG A 47 -8.264 8.340 4.438 1.00 44.41 C ATOM 767 CG ARG A 47 -8.886 7.052 4.025 1.00 42.30 C ATOM 768 CD ARG A 47 -9.974 7.235 2.985 1.00 11.12 C ATOM 769 NE ARG A 47 -10.507 5.941 2.543 1.00 13.22 N ATOM 770 CZ ARG A 47 -10.994 5.682 1.319 1.00 40.03 C ATOM 771 NH1 ARG A 47 -11.044 6.649 0.394 1.00 63.14 N ATOM 772 NH2 ARG A 47 -11.420 4.454 1.022 1.00 53.11 N ATOM 0 H ARG A 47 -6.386 9.979 4.843 1.00 31.00 H new ATOM 0 HA ARG A 47 -7.552 7.772 6.353 1.00 43.52 H new ATOM 0 HB2 ARG A 47 -9.030 8.980 4.875 1.00 44.41 H new ATOM 0 HB3 ARG A 47 -7.888 8.853 3.553 1.00 44.41 H new ATOM 0 HG2 ARG A 47 -8.115 6.392 3.626 1.00 42.30 H new ATOM 0 HG3 ARG A 47 -9.306 6.558 4.901 1.00 42.30 H new ATOM 0 HD2 ARG A 47 -10.780 7.841 3.400 1.00 11.12 H new ATOM 0 HD3 ARG A 47 -9.575 7.779 2.129 1.00 11.12 H new ATOM 0 HE ARG A 47 -10.507 5.178 3.220 1.00 13.22 H new ATOM 0 HH11 ARG A 47 -10.711 7.587 0.618 1.00 63.14 H new ATOM 0 HH12 ARG A 47 -11.415 6.448 -0.535 1.00 63.14 H new ATOM 0 HH21 ARG A 47 -11.375 3.715 1.724 1.00 53.11 H new ATOM 0 HH22 ARG A 47 -11.791 4.254 0.093 1.00 53.11 H new ATOM 786 N GLN A 48 -6.272 6.011 5.186 1.00 34.01 N ATOM 787 CA GLN A 48 -5.406 4.976 4.790 1.00 33.21 C ATOM 788 C GLN A 48 -6.006 4.173 3.643 1.00 51.13 C ATOM 789 O GLN A 48 -7.114 3.645 3.747 1.00 24.31 O ATOM 790 CB GLN A 48 -5.112 4.122 6.005 1.00 32.34 C ATOM 791 CG GLN A 48 -4.647 2.727 5.701 1.00 52.12 C ATOM 792 CD GLN A 48 -4.267 1.943 6.938 1.00 23.14 C ATOM 793 OE1 GLN A 48 -4.806 2.171 8.029 1.00 24.25 O ATOM 794 NE2 GLN A 48 -3.371 1.005 6.792 1.00 54.04 N ATOM 0 H GLN A 48 -7.067 5.684 5.735 1.00 34.01 H new ATOM 0 HA GLN A 48 -4.470 5.384 4.410 1.00 33.21 H new ATOM 0 HB2 GLN A 48 -4.351 4.620 6.605 1.00 32.34 H new ATOM 0 HB3 GLN A 48 -6.012 4.064 6.616 1.00 32.34 H new ATOM 0 HG2 GLN A 48 -5.437 2.195 5.170 1.00 52.12 H new ATOM 0 HG3 GLN A 48 -3.789 2.775 5.031 1.00 52.12 H new ATOM 0 HE21 GLN A 48 -2.946 0.843 5.879 1.00 54.04 H new ATOM 0 HE22 GLN A 48 -3.096 0.434 7.591 1.00 54.04 H new ATOM 803 N VAL A 49 -5.287 4.125 2.551 1.00 51.11 N ATOM 804 CA VAL A 49 -5.675 3.364 1.381 1.00 2.41 C ATOM 805 C VAL A 49 -4.545 2.437 0.985 1.00 45.30 C ATOM 806 O VAL A 49 -3.385 2.761 1.182 1.00 72.04 O ATOM 807 CB VAL A 49 -6.058 4.282 0.172 1.00 31.42 C ATOM 808 CG1 VAL A 49 -7.302 5.096 0.487 1.00 55.14 C ATOM 809 CG2 VAL A 49 -4.904 5.213 -0.207 1.00 11.20 C ATOM 0 H VAL A 49 -4.401 4.619 2.443 1.00 51.11 H new ATOM 0 HA VAL A 49 -6.563 2.788 1.642 1.00 2.41 H new ATOM 0 HB VAL A 49 -6.267 3.634 -0.679 1.00 31.42 H new ATOM 0 HG11 VAL A 49 -7.550 5.727 -0.367 1.00 55.14 H new ATOM 0 HG12 VAL A 49 -8.134 4.423 0.695 1.00 55.14 H new ATOM 0 HG13 VAL A 49 -7.116 5.723 1.359 1.00 55.14 H new ATOM 0 HG21 VAL A 49 -5.202 5.837 -1.050 1.00 11.20 H new ATOM 0 HG22 VAL A 49 -4.654 5.847 0.644 1.00 11.20 H new ATOM 0 HG23 VAL A 49 -4.034 4.619 -0.485 1.00 11.20 H new ATOM 819 N CYS A 50 -4.879 1.284 0.501 1.00 34.20 N ATOM 820 CA CYS A 50 -3.882 0.345 0.015 1.00 65.44 C ATOM 821 C CYS A 50 -3.265 0.840 -1.272 1.00 41.25 C ATOM 822 O CYS A 50 -3.968 1.292 -2.155 1.00 13.52 O ATOM 823 CB CYS A 50 -4.493 -1.032 -0.176 1.00 54.41 C ATOM 824 SG CYS A 50 -5.061 -1.791 1.384 1.00 30.11 S ATOM 0 H CYS A 50 -5.841 0.955 0.425 1.00 34.20 H new ATOM 0 HA CYS A 50 -3.092 0.267 0.762 1.00 65.44 H new ATOM 0 HB2 CYS A 50 -5.336 -0.956 -0.863 1.00 54.41 H new ATOM 0 HB3 CYS A 50 -3.758 -1.687 -0.644 1.00 54.41 H new ATOM 829 N ILE A 51 -1.963 0.765 -1.377 1.00 23.43 N ATOM 830 CA ILE A 51 -1.288 1.261 -2.553 1.00 40.40 C ATOM 831 C ILE A 51 -1.028 0.112 -3.489 1.00 43.24 C ATOM 832 O ILE A 51 -0.680 -0.989 -3.048 1.00 51.02 O ATOM 833 CB ILE A 51 0.080 1.909 -2.241 1.00 51.44 C ATOM 834 CG1 ILE A 51 0.013 2.805 -1.016 1.00 63.02 C ATOM 835 CG2 ILE A 51 0.516 2.731 -3.443 1.00 75.12 C ATOM 836 CD1 ILE A 51 1.356 3.435 -0.664 1.00 51.24 C ATOM 0 H ILE A 51 -1.349 0.367 -0.666 1.00 23.43 H new ATOM 0 HA ILE A 51 -1.939 2.019 -2.988 1.00 40.40 H new ATOM 0 HB ILE A 51 0.797 1.115 -2.033 1.00 51.44 H new ATOM 0 HG12 ILE A 51 -0.718 3.595 -1.190 1.00 63.02 H new ATOM 0 HG13 ILE A 51 -0.343 2.223 -0.166 1.00 63.02 H new ATOM 0 HG21 ILE A 51 1.481 3.194 -3.236 1.00 75.12 H new ATOM 0 HG22 ILE A 51 0.604 2.082 -4.315 1.00 75.12 H new ATOM 0 HG23 ILE A 51 -0.224 3.506 -3.641 1.00 75.12 H new ATOM 0 HD11 ILE A 51 1.243 4.063 0.219 1.00 51.24 H new ATOM 0 HD12 ILE A 51 2.084 2.650 -0.460 1.00 51.24 H new ATOM 0 HD13 ILE A 51 1.703 4.043 -1.500 1.00 51.24 H new ATOM 848 N ASP A 52 -1.197 0.357 -4.758 1.00 50.34 N ATOM 849 CA ASP A 52 -0.941 -0.635 -5.781 1.00 22.02 C ATOM 850 C ASP A 52 0.578 -0.749 -5.966 1.00 53.34 C ATOM 851 O ASP A 52 1.247 0.258 -6.225 1.00 43.40 O ATOM 852 CB ASP A 52 -1.602 -0.188 -7.082 1.00 62.42 C ATOM 853 CG ASP A 52 -1.490 -1.182 -8.204 1.00 2.33 C ATOM 854 OD1 ASP A 52 -0.475 -1.182 -8.909 1.00 52.22 O ATOM 855 OD2 ASP A 52 -2.451 -1.944 -8.430 1.00 41.21 O ATOM 0 H ASP A 52 -1.518 1.255 -5.121 1.00 50.34 H new ATOM 0 HA ASP A 52 -1.349 -1.605 -5.495 1.00 22.02 H new ATOM 0 HB2 ASP A 52 -2.657 0.010 -6.891 1.00 62.42 H new ATOM 0 HB3 ASP A 52 -1.153 0.753 -7.399 1.00 62.42 H new ATOM 860 N PRO A 53 1.144 -1.963 -5.848 1.00 33.01 N ATOM 861 CA PRO A 53 2.605 -2.166 -5.877 1.00 12.32 C ATOM 862 C PRO A 53 3.249 -1.961 -7.250 1.00 33.40 C ATOM 863 O PRO A 53 4.462 -2.150 -7.408 1.00 33.34 O ATOM 864 CB PRO A 53 2.766 -3.613 -5.423 1.00 60.34 C ATOM 865 CG PRO A 53 1.503 -4.273 -5.867 1.00 63.13 C ATOM 866 CD PRO A 53 0.420 -3.241 -5.676 1.00 3.44 C ATOM 0 HA PRO A 53 3.108 -1.431 -5.248 1.00 12.32 H new ATOM 0 HB2 PRO A 53 3.641 -4.079 -5.877 1.00 60.34 H new ATOM 0 HB3 PRO A 53 2.893 -3.681 -4.343 1.00 60.34 H new ATOM 0 HG2 PRO A 53 1.569 -4.585 -6.909 1.00 63.13 H new ATOM 0 HG3 PRO A 53 1.300 -5.168 -5.279 1.00 63.13 H new ATOM 0 HD2 PRO A 53 -0.379 -3.354 -6.409 1.00 3.44 H new ATOM 0 HD3 PRO A 53 -0.039 -3.315 -4.690 1.00 3.44 H new ATOM 874 N LYS A 54 2.466 -1.582 -8.239 1.00 42.50 N ATOM 875 CA LYS A 54 3.014 -1.351 -9.551 1.00 41.13 C ATOM 876 C LYS A 54 3.557 0.063 -9.685 1.00 12.15 C ATOM 877 O LYS A 54 4.182 0.405 -10.702 1.00 2.33 O ATOM 878 CB LYS A 54 2.017 -1.677 -10.651 1.00 52.14 C ATOM 879 CG LYS A 54 1.583 -3.122 -10.685 1.00 33.02 C ATOM 880 CD LYS A 54 2.748 -4.037 -10.986 1.00 61.23 C ATOM 881 CE LYS A 54 2.297 -5.468 -11.088 1.00 45.41 C ATOM 882 NZ LYS A 54 1.284 -5.656 -12.154 1.00 32.22 N ATOM 0 H LYS A 54 1.461 -1.430 -8.158 1.00 42.50 H new ATOM 0 HA LYS A 54 3.853 -2.036 -9.673 1.00 41.13 H new ATOM 0 HB2 LYS A 54 1.136 -1.048 -10.525 1.00 52.14 H new ATOM 0 HB3 LYS A 54 2.458 -1.419 -11.614 1.00 52.14 H new ATOM 0 HG2 LYS A 54 1.142 -3.394 -9.726 1.00 33.02 H new ATOM 0 HG3 LYS A 54 0.809 -3.254 -11.441 1.00 33.02 H new ATOM 0 HD2 LYS A 54 3.221 -3.734 -11.920 1.00 61.23 H new ATOM 0 HD3 LYS A 54 3.500 -3.944 -10.202 1.00 61.23 H new ATOM 0 HE2 LYS A 54 3.158 -6.106 -11.289 1.00 45.41 H new ATOM 0 HE3 LYS A 54 1.881 -5.786 -10.132 1.00 45.41 H new ATOM 0 HZ1 LYS A 54 1.223 -6.664 -12.401 1.00 32.22 H new ATOM 0 HZ2 LYS A 54 0.358 -5.326 -11.815 1.00 32.22 H new ATOM 0 HZ3 LYS A 54 1.559 -5.110 -12.995 1.00 32.22 H new ATOM 896 N LEU A 55 3.321 0.892 -8.670 1.00 1.32 N ATOM 897 CA LEU A 55 3.917 2.209 -8.636 1.00 12.13 C ATOM 898 C LEU A 55 5.408 2.050 -8.411 1.00 12.43 C ATOM 899 O LEU A 55 5.842 1.478 -7.407 1.00 73.33 O ATOM 900 CB LEU A 55 3.303 3.080 -7.538 1.00 52.12 C ATOM 901 CG LEU A 55 1.810 3.385 -7.664 1.00 64.53 C ATOM 902 CD1 LEU A 55 1.343 4.233 -6.499 1.00 42.42 C ATOM 903 CD2 LEU A 55 1.530 4.096 -8.968 1.00 52.34 C ATOM 0 H LEU A 55 2.726 0.671 -7.872 1.00 1.32 H new ATOM 0 HA LEU A 55 3.726 2.711 -9.584 1.00 12.13 H new ATOM 0 HB2 LEU A 55 3.471 2.589 -6.579 1.00 52.12 H new ATOM 0 HB3 LEU A 55 3.843 4.026 -7.511 1.00 52.12 H new ATOM 0 HG LEU A 55 1.262 2.443 -7.651 1.00 64.53 H new ATOM 0 HD11 LEU A 55 0.278 4.441 -6.604 1.00 42.42 H new ATOM 0 HD12 LEU A 55 1.518 3.697 -5.566 1.00 42.42 H new ATOM 0 HD13 LEU A 55 1.897 5.172 -6.487 1.00 42.42 H new ATOM 0 HD21 LEU A 55 0.464 4.307 -9.045 1.00 52.34 H new ATOM 0 HD22 LEU A 55 2.089 5.031 -9.000 1.00 52.34 H new ATOM 0 HD23 LEU A 55 1.836 3.463 -9.801 1.00 52.34 H new ATOM 915 N LYS A 56 6.179 2.543 -9.334 1.00 15.23 N ATOM 916 CA LYS A 56 7.604 2.366 -9.316 1.00 1.01 C ATOM 917 C LYS A 56 8.231 3.161 -8.168 1.00 31.31 C ATOM 918 O LYS A 56 9.230 2.724 -7.585 1.00 2.24 O ATOM 919 CB LYS A 56 8.198 2.711 -10.712 1.00 61.13 C ATOM 920 CG LYS A 56 9.664 2.301 -10.960 1.00 61.24 C ATOM 921 CD LYS A 56 10.685 3.171 -10.243 1.00 34.31 C ATOM 922 CE LYS A 56 12.099 2.636 -10.435 1.00 24.21 C ATOM 923 NZ LYS A 56 12.513 2.566 -11.862 1.00 45.33 N ATOM 0 H LYS A 56 5.836 3.084 -10.128 1.00 15.23 H new ATOM 0 HA LYS A 56 7.847 1.321 -9.123 1.00 1.01 H new ATOM 0 HB2 LYS A 56 7.578 2.236 -11.473 1.00 61.13 H new ATOM 0 HB3 LYS A 56 8.116 3.788 -10.860 1.00 61.13 H new ATOM 0 HG2 LYS A 56 9.799 1.267 -10.644 1.00 61.24 H new ATOM 0 HG3 LYS A 56 9.863 2.335 -12.031 1.00 61.24 H new ATOM 0 HD2 LYS A 56 10.626 4.192 -10.621 1.00 34.31 H new ATOM 0 HD3 LYS A 56 10.450 3.210 -9.179 1.00 34.31 H new ATOM 0 HE2 LYS A 56 12.798 3.273 -9.892 1.00 24.21 H new ATOM 0 HE3 LYS A 56 12.166 1.641 -9.995 1.00 24.21 H new ATOM 0 HZ1 LYS A 56 13.519 2.309 -11.919 1.00 45.33 H new ATOM 0 HZ2 LYS A 56 11.943 1.848 -12.354 1.00 45.33 H new ATOM 0 HZ3 LYS A 56 12.366 3.492 -12.312 1.00 45.33 H new ATOM 937 N TRP A 57 7.622 4.302 -7.800 1.00 74.23 N ATOM 938 CA TRP A 57 8.167 5.102 -6.700 1.00 24.44 C ATOM 939 C TRP A 57 8.121 4.304 -5.399 1.00 40.44 C ATOM 940 O TRP A 57 8.961 4.468 -4.537 1.00 5.41 O ATOM 941 CB TRP A 57 7.464 6.489 -6.524 1.00 42.05 C ATOM 942 CG TRP A 57 6.027 6.478 -6.004 1.00 5.05 C ATOM 943 CD1 TRP A 57 4.886 6.619 -6.726 1.00 2.41 C ATOM 944 CD2 TRP A 57 5.610 6.337 -4.628 1.00 13.25 C ATOM 945 NE1 TRP A 57 3.786 6.591 -5.888 1.00 35.30 N ATOM 946 CE2 TRP A 57 4.205 6.407 -4.602 1.00 75.32 C ATOM 947 CE3 TRP A 57 6.291 6.153 -3.428 1.00 45.33 C ATOM 948 CZ2 TRP A 57 3.477 6.301 -3.410 1.00 61.23 C ATOM 949 CZ3 TRP A 57 5.573 6.046 -2.266 1.00 52.14 C ATOM 950 CH2 TRP A 57 4.180 6.122 -2.267 1.00 54.51 C ATOM 0 H TRP A 57 6.779 4.678 -8.235 1.00 74.23 H new ATOM 0 HA TRP A 57 9.202 5.324 -6.960 1.00 24.44 H new ATOM 0 HB2 TRP A 57 8.066 7.090 -5.842 1.00 42.05 H new ATOM 0 HB3 TRP A 57 7.471 6.997 -7.488 1.00 42.05 H new ATOM 0 HD1 TRP A 57 4.843 6.736 -7.799 1.00 2.41 H new ATOM 0 HE1 TRP A 57 2.815 6.692 -6.184 1.00 35.30 H new ATOM 0 HE3 TRP A 57 7.369 6.095 -3.413 1.00 45.33 H new ATOM 0 HZ2 TRP A 57 2.399 6.360 -3.403 1.00 61.23 H new ATOM 0 HZ3 TRP A 57 6.095 5.900 -1.332 1.00 52.14 H new ATOM 0 HH2 TRP A 57 3.648 6.036 -1.331 1.00 54.51 H new ATOM 961 N ILE A 58 7.131 3.427 -5.294 1.00 61.24 N ATOM 962 CA ILE A 58 6.935 2.583 -4.125 1.00 11.13 C ATOM 963 C ILE A 58 8.119 1.669 -3.904 1.00 52.40 C ATOM 964 O ILE A 58 8.714 1.656 -2.824 1.00 13.25 O ATOM 965 CB ILE A 58 5.638 1.728 -4.313 1.00 72.42 C ATOM 966 CG1 ILE A 58 4.391 2.544 -3.996 1.00 43.42 C ATOM 967 CG2 ILE A 58 5.666 0.434 -3.516 1.00 74.04 C ATOM 968 CD1 ILE A 58 4.268 2.876 -2.545 1.00 24.25 C ATOM 0 H ILE A 58 6.435 3.281 -6.026 1.00 61.24 H new ATOM 0 HA ILE A 58 6.835 3.225 -3.250 1.00 11.13 H new ATOM 0 HB ILE A 58 5.602 1.443 -5.365 1.00 72.42 H new ATOM 0 HG12 ILE A 58 4.410 3.468 -4.575 1.00 43.42 H new ATOM 0 HG13 ILE A 58 3.509 1.988 -4.313 1.00 43.42 H new ATOM 0 HG21 ILE A 58 4.741 -0.118 -3.685 1.00 74.04 H new ATOM 0 HG22 ILE A 58 6.514 -0.172 -3.836 1.00 74.04 H new ATOM 0 HG23 ILE A 58 5.763 0.662 -2.455 1.00 74.04 H new ATOM 0 HD11 ILE A 58 3.361 3.458 -2.380 1.00 24.25 H new ATOM 0 HD12 ILE A 58 4.219 1.955 -1.964 1.00 24.25 H new ATOM 0 HD13 ILE A 58 5.134 3.458 -2.230 1.00 24.25 H new ATOM 980 N GLN A 59 8.491 0.955 -4.927 1.00 41.13 N ATOM 981 CA GLN A 59 9.569 0.019 -4.813 1.00 61.11 C ATOM 982 C GLN A 59 10.906 0.717 -4.734 1.00 20.31 C ATOM 983 O GLN A 59 11.783 0.305 -3.995 1.00 5.30 O ATOM 984 CB GLN A 59 9.507 -1.041 -5.902 1.00 72.03 C ATOM 985 CG GLN A 59 9.432 -0.506 -7.318 1.00 0.13 C ATOM 986 CD GLN A 59 9.260 -1.611 -8.331 1.00 31.45 C ATOM 987 OE1 GLN A 59 9.692 -1.498 -9.481 1.00 61.32 O ATOM 988 NE2 GLN A 59 8.639 -2.689 -7.914 1.00 61.42 N ATOM 0 H GLN A 59 8.062 1.004 -5.851 1.00 41.13 H new ATOM 0 HA GLN A 59 9.452 -0.513 -3.869 1.00 61.11 H new ATOM 0 HB2 GLN A 59 10.387 -1.678 -5.817 1.00 72.03 H new ATOM 0 HB3 GLN A 59 8.637 -1.673 -5.723 1.00 72.03 H new ATOM 0 HG2 GLN A 59 8.599 0.192 -7.398 1.00 0.13 H new ATOM 0 HG3 GLN A 59 10.340 0.054 -7.543 1.00 0.13 H new ATOM 0 HE21 GLN A 59 8.297 -2.742 -6.954 1.00 61.42 H new ATOM 0 HE22 GLN A 59 8.498 -3.474 -8.549 1.00 61.42 H new ATOM 997 N GLU A 60 11.026 1.823 -5.433 1.00 52.20 N ATOM 998 CA GLU A 60 12.266 2.598 -5.454 1.00 55.03 C ATOM 999 C GLU A 60 12.405 3.431 -4.159 1.00 50.23 C ATOM 1000 O GLU A 60 13.369 4.179 -3.961 1.00 64.44 O ATOM 1001 CB GLU A 60 12.326 3.450 -6.746 1.00 3.34 C ATOM 1002 CG GLU A 60 13.555 4.348 -6.968 1.00 41.14 C ATOM 1003 CD GLU A 60 14.866 3.608 -7.142 1.00 2.20 C ATOM 1004 OE1 GLU A 60 15.035 2.910 -8.159 1.00 53.11 O ATOM 1005 OE2 GLU A 60 15.785 3.791 -6.309 1.00 53.21 O ATOM 0 H GLU A 60 10.277 2.217 -6.003 1.00 52.20 H new ATOM 0 HA GLU A 60 13.127 1.929 -5.475 1.00 55.03 H new ATOM 0 HB2 GLU A 60 12.251 2.772 -7.596 1.00 3.34 H new ATOM 0 HB3 GLU A 60 11.441 4.086 -6.767 1.00 3.34 H new ATOM 0 HG2 GLU A 60 13.382 4.963 -7.851 1.00 41.14 H new ATOM 0 HG3 GLU A 60 13.648 5.027 -6.120 1.00 41.14 H new ATOM 1012 N TYR A 61 11.470 3.283 -3.291 1.00 73.45 N ATOM 1013 CA TYR A 61 11.528 3.943 -2.040 1.00 24.45 C ATOM 1014 C TYR A 61 11.518 2.934 -0.909 1.00 33.04 C ATOM 1015 O TYR A 61 12.513 2.752 -0.216 1.00 61.05 O ATOM 1016 CB TYR A 61 10.377 4.952 -1.922 1.00 11.13 C ATOM 1017 CG TYR A 61 10.298 5.682 -0.611 1.00 72.24 C ATOM 1018 CD1 TYR A 61 11.428 6.226 -0.030 1.00 21.14 C ATOM 1019 CD2 TYR A 61 9.080 5.849 0.029 1.00 71.32 C ATOM 1020 CE1 TYR A 61 11.353 6.914 1.158 1.00 64.32 C ATOM 1021 CE2 TYR A 61 8.992 6.533 1.222 1.00 13.53 C ATOM 1022 CZ TYR A 61 10.136 7.064 1.784 1.00 32.31 C ATOM 1023 OH TYR A 61 10.058 7.761 2.967 1.00 30.15 O ATOM 0 H TYR A 61 10.644 2.701 -3.429 1.00 73.45 H new ATOM 0 HA TYR A 61 12.463 4.499 -1.969 1.00 24.45 H new ATOM 0 HB2 TYR A 61 10.474 5.685 -2.723 1.00 11.13 H new ATOM 0 HB3 TYR A 61 9.436 4.426 -2.084 1.00 11.13 H new ATOM 0 HD1 TYR A 61 12.385 6.109 -0.517 1.00 21.14 H new ATOM 0 HD2 TYR A 61 8.186 5.437 -0.414 1.00 71.32 H new ATOM 0 HE1 TYR A 61 12.245 7.335 1.598 1.00 64.32 H new ATOM 0 HE2 TYR A 61 8.037 6.653 1.713 1.00 13.53 H new ATOM 0 HH TYR A 61 9.129 7.776 3.277 1.00 30.15 H new ATOM 1033 N LEU A 62 10.438 2.229 -0.779 1.00 31.44 N ATOM 1034 CA LEU A 62 10.230 1.342 0.342 1.00 32.33 C ATOM 1035 C LEU A 62 11.076 0.075 0.206 1.00 52.21 C ATOM 1036 O LEU A 62 11.485 -0.524 1.190 1.00 44.13 O ATOM 1037 CB LEU A 62 8.743 1.005 0.411 1.00 13.01 C ATOM 1038 CG LEU A 62 8.130 0.776 1.808 1.00 61.41 C ATOM 1039 CD1 LEU A 62 8.648 -0.485 2.473 1.00 64.12 C ATOM 1040 CD2 LEU A 62 8.411 1.971 2.685 1.00 64.54 C ATOM 0 H LEU A 62 9.667 2.247 -1.446 1.00 31.44 H new ATOM 0 HA LEU A 62 10.542 1.832 1.265 1.00 32.33 H new ATOM 0 HB2 LEU A 62 8.192 1.813 -0.070 1.00 13.01 H new ATOM 0 HB3 LEU A 62 8.574 0.106 -0.182 1.00 13.01 H new ATOM 0 HG LEU A 62 7.056 0.649 1.675 1.00 61.41 H new ATOM 0 HD11 LEU A 62 8.184 -0.597 3.453 1.00 64.12 H new ATOM 0 HD12 LEU A 62 8.404 -1.349 1.855 1.00 64.12 H new ATOM 0 HD13 LEU A 62 9.730 -0.417 2.590 1.00 64.12 H new ATOM 0 HD21 LEU A 62 7.977 1.808 3.672 1.00 64.54 H new ATOM 0 HD22 LEU A 62 9.488 2.107 2.780 1.00 64.54 H new ATOM 0 HD23 LEU A 62 7.971 2.862 2.238 1.00 64.54 H new ATOM 1052 N GLU A 63 11.389 -0.278 -0.994 1.00 71.24 N ATOM 1053 CA GLU A 63 12.091 -1.519 -1.226 1.00 75.33 C ATOM 1054 C GLU A 63 13.525 -1.264 -1.552 1.00 41.42 C ATOM 1055 O GLU A 63 14.389 -2.101 -1.333 1.00 64.11 O ATOM 1056 CB GLU A 63 11.403 -2.373 -2.295 1.00 70.44 C ATOM 1057 CG GLU A 63 10.073 -2.963 -1.844 1.00 75.30 C ATOM 1058 CD GLU A 63 10.237 -3.938 -0.688 1.00 23.14 C ATOM 1059 OE1 GLU A 63 10.277 -3.504 0.484 1.00 72.01 O ATOM 1060 OE2 GLU A 63 10.351 -5.163 -0.944 1.00 35.40 O ATOM 0 H GLU A 63 11.177 0.263 -1.832 1.00 71.24 H new ATOM 0 HA GLU A 63 12.060 -2.096 -0.302 1.00 75.33 H new ATOM 0 HB2 GLU A 63 11.238 -1.764 -3.183 1.00 70.44 H new ATOM 0 HB3 GLU A 63 12.071 -3.184 -2.585 1.00 70.44 H new ATOM 0 HG2 GLU A 63 9.403 -2.157 -1.544 1.00 75.30 H new ATOM 0 HG3 GLU A 63 9.601 -3.474 -2.683 1.00 75.30 H new ATOM 1067 N LYS A 64 13.777 -0.111 -2.060 1.00 25.24 N ATOM 1068 CA LYS A 64 15.085 0.240 -2.484 1.00 12.25 C ATOM 1069 C LYS A 64 15.840 0.933 -1.364 1.00 50.55 C ATOM 1070 O LYS A 64 17.039 0.785 -1.245 1.00 23.43 O ATOM 1071 CB LYS A 64 14.968 1.142 -3.690 1.00 75.14 C ATOM 1072 CG LYS A 64 16.258 1.597 -4.320 1.00 71.42 C ATOM 1073 CD LYS A 64 17.033 0.469 -4.951 1.00 40.34 C ATOM 1074 CE LYS A 64 18.190 1.026 -5.757 1.00 20.35 C ATOM 1075 NZ LYS A 64 17.708 1.909 -6.851 1.00 24.22 N ATOM 0 H LYS A 64 13.078 0.620 -2.194 1.00 25.24 H new ATOM 0 HA LYS A 64 15.644 -0.658 -2.749 1.00 12.25 H new ATOM 0 HB2 LYS A 64 14.383 0.622 -4.449 1.00 75.14 H new ATOM 0 HB3 LYS A 64 14.400 2.026 -3.400 1.00 75.14 H new ATOM 0 HG2 LYS A 64 16.041 2.350 -5.078 1.00 71.42 H new ATOM 0 HG3 LYS A 64 16.877 2.077 -3.562 1.00 71.42 H new ATOM 0 HD2 LYS A 64 17.407 -0.204 -4.179 1.00 40.34 H new ATOM 0 HD3 LYS A 64 16.378 -0.118 -5.596 1.00 40.34 H new ATOM 0 HE2 LYS A 64 18.857 1.586 -5.101 1.00 20.35 H new ATOM 0 HE3 LYS A 64 18.772 0.206 -6.178 1.00 20.35 H new ATOM 0 HZ1 LYS A 64 18.499 2.139 -7.486 1.00 24.22 H new ATOM 0 HZ2 LYS A 64 16.963 1.421 -7.389 1.00 24.22 H new ATOM 0 HZ3 LYS A 64 17.324 2.786 -6.445 1.00 24.22 H new ATOM 1089 N ALA A 65 15.136 1.671 -0.541 1.00 20.14 N ATOM 1090 CA ALA A 65 15.797 2.406 0.536 1.00 51.20 C ATOM 1091 C ALA A 65 15.548 1.754 1.882 1.00 74.21 C ATOM 1092 O ALA A 65 16.455 1.623 2.702 1.00 65.31 O ATOM 1093 CB ALA A 65 15.344 3.858 0.550 1.00 74.42 C ATOM 0 H ALA A 65 14.123 1.785 -0.585 1.00 20.14 H new ATOM 0 HA ALA A 65 16.870 2.380 0.348 1.00 51.20 H new ATOM 0 HB1 ALA A 65 15.847 4.388 1.359 1.00 74.42 H new ATOM 0 HB2 ALA A 65 15.594 4.326 -0.402 1.00 74.42 H new ATOM 0 HB3 ALA A 65 14.266 3.901 0.703 1.00 74.42 H new ATOM 1099 N LEU A 66 14.333 1.322 2.094 1.00 34.04 N ATOM 1100 CA LEU A 66 13.945 0.719 3.367 1.00 73.43 C ATOM 1101 C LEU A 66 14.239 -0.748 3.426 1.00 61.44 C ATOM 1102 O LEU A 66 14.127 -1.369 4.484 1.00 12.13 O ATOM 1103 CB LEU A 66 12.465 0.974 3.713 1.00 74.45 C ATOM 1104 CG LEU A 66 12.062 2.388 4.198 1.00 61.32 C ATOM 1105 CD1 LEU A 66 12.871 2.803 5.416 1.00 32.02 C ATOM 1106 CD2 LEU A 66 12.177 3.431 3.095 1.00 15.22 C ATOM 0 H LEU A 66 13.583 1.372 1.405 1.00 34.04 H new ATOM 0 HA LEU A 66 14.561 1.215 4.117 1.00 73.43 H new ATOM 0 HB2 LEU A 66 11.871 0.743 2.828 1.00 74.45 H new ATOM 0 HB3 LEU A 66 12.176 0.262 4.486 1.00 74.45 H new ATOM 0 HG LEU A 66 11.012 2.334 4.484 1.00 61.32 H new ATOM 0 HD11 LEU A 66 12.566 3.800 5.733 1.00 32.02 H new ATOM 0 HD12 LEU A 66 12.697 2.095 6.227 1.00 32.02 H new ATOM 0 HD13 LEU A 66 13.931 2.812 5.163 1.00 32.02 H new ATOM 0 HD21 LEU A 66 11.884 4.406 3.484 1.00 15.22 H new ATOM 0 HD22 LEU A 66 13.208 3.476 2.743 1.00 15.22 H new ATOM 0 HD23 LEU A 66 11.522 3.159 2.267 1.00 15.22 H new ATOM 1118 N ASN A 67 14.627 -1.308 2.336 1.00 24.24 N ATOM 1119 CA ASN A 67 14.804 -2.728 2.296 1.00 30.35 C ATOM 1120 C ASN A 67 16.159 -3.057 1.715 1.00 61.53 C ATOM 1121 O ASN A 67 16.922 -3.806 2.302 1.00 72.14 O ATOM 1122 CB ASN A 67 13.705 -3.311 1.441 1.00 64.35 C ATOM 1123 CG ASN A 67 13.480 -4.784 1.639 1.00 34.12 C ATOM 1124 OD1 ASN A 67 14.393 -5.553 1.932 1.00 45.24 O ATOM 1125 ND2 ASN A 67 12.256 -5.171 1.521 1.00 11.41 N ATOM 0 H ASN A 67 14.828 -0.817 1.465 1.00 24.24 H new ATOM 0 HA ASN A 67 14.755 -3.150 3.300 1.00 30.35 H new ATOM 0 HB2 ASN A 67 12.776 -2.782 1.654 1.00 64.35 H new ATOM 0 HB3 ASN A 67 13.942 -3.130 0.393 1.00 64.35 H new ATOM 0 HD21 ASN A 67 12.014 -6.150 1.673 1.00 11.41 H new ATOM 0 HD22 ASN A 67 11.530 -4.498 1.276 1.00 11.41 H new ATOM 1132 N LYS A 68 16.436 -2.461 0.559 1.00 21.25 N ATOM 1133 CA LYS A 68 17.700 -2.630 -0.165 1.00 11.31 C ATOM 1134 C LYS A 68 17.944 -4.089 -0.544 1.00 2.53 C ATOM 1135 O LYS A 68 18.582 -4.827 0.233 1.00 39.16 O ATOM 1136 CB LYS A 68 18.887 -2.046 0.624 1.00 12.41 C ATOM 1137 CG LYS A 68 18.758 -0.567 0.906 1.00 71.11 C ATOM 1138 CD LYS A 68 19.926 -0.043 1.707 1.00 32.11 C ATOM 1139 CE LYS A 68 19.984 -0.632 3.106 1.00 63.51 C ATOM 1140 NZ LYS A 68 21.106 -0.073 3.882 1.00 30.05 N ATOM 1141 OXT LYS A 68 17.484 -4.514 -1.629 1.00 39.16 O ATOM 0 H LYS A 68 15.781 -1.837 0.088 1.00 21.25 H new ATOM 0 HA LYS A 68 17.616 -2.065 -1.093 1.00 11.31 H new ATOM 0 HB2 LYS A 68 18.982 -2.580 1.569 1.00 12.41 H new ATOM 0 HB3 LYS A 68 19.806 -2.222 0.065 1.00 12.41 H new ATOM 0 HG2 LYS A 68 18.690 -0.022 -0.036 1.00 71.11 H new ATOM 0 HG3 LYS A 68 17.832 -0.380 1.450 1.00 71.11 H new ATOM 0 HD2 LYS A 68 20.854 -0.271 1.182 1.00 32.11 H new ATOM 0 HD3 LYS A 68 19.857 1.043 1.776 1.00 32.11 H new ATOM 0 HE2 LYS A 68 19.046 -0.433 3.625 1.00 63.51 H new ATOM 0 HE3 LYS A 68 20.089 -1.715 3.042 1.00 63.51 H new ATOM 0 HZ1 LYS A 68 21.116 -0.497 4.832 1.00 30.05 H new ATOM 0 HZ2 LYS A 68 22.002 -0.285 3.399 1.00 30.05 H new ATOM 0 HZ3 LYS A 68 20.992 0.958 3.964 1.00 30.05 H new TER 1155 LYS A 68