USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 835 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 58 MET CE :methyl -117:sc= -1.44 (180deg=-2.73!) USER MOD Set 1.2: A 70 MET CE :methyl 167:sc=-0.00711 (180deg=0) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0188) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.15 (180deg=0.431) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.146 (180deg=0.102) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= 0.481 (180deg=0.266) USER MOD Single : A 20 THR OG1 : rot -79:sc= 0.249 USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.527) USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= 0.259 (180deg=-3!) USER MOD Single : A 39 LYS NZ :NH3+ -106:sc= 0.386 (180deg=0.171) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.357 (180deg=-1.16) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.3) USER MOD Single : A 61 MET CE :methyl -139:sc= -2.36 (180deg=-4.44!) USER MOD Single : A 62 TYR OH : rot 67:sc= 0.211 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0415 (180deg=-0.276) USER MOD Single : A 67 ASN : amide:sc= -0.82 K(o=-0.82,f=-6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.732 (180deg=0.648) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= 1.25 (180deg=-0.669) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0363 K(o=-0.036,f=-1.3) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.706 -19.150 11.530 1.00 0.00 N ATOM 2 CA MET A 1 -5.791 -20.045 10.769 1.00 52.33 C ATOM 3 C MET A 1 -4.330 -19.891 11.258 1.00 34.00 C ATOM 4 O MET A 1 -4.092 -19.245 12.283 1.00 11.24 O ATOM 5 CB MET A 1 -5.915 -19.764 9.245 1.00 14.23 C ATOM 6 CG MET A 1 -5.453 -18.371 8.785 1.00 23.14 C ATOM 7 SD MET A 1 -6.394 -17.021 9.524 1.00 65.31 S ATOM 8 CE MET A 1 -5.758 -15.605 8.621 1.00 45.11 C ATOM 0 H1 MET A 1 -7.502 -19.705 11.905 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.187 -18.712 12.318 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.069 -18.407 10.899 1.00 0.00 H new ATOM 0 HA MET A 1 -6.084 -21.079 10.949 1.00 52.33 H new ATOM 0 HB2 MET A 1 -5.336 -20.515 8.707 1.00 14.23 H new ATOM 0 HB3 MET A 1 -6.957 -19.896 8.953 1.00 14.23 H new ATOM 0 HG2 MET A 1 -4.399 -18.247 9.032 1.00 23.14 H new ATOM 0 HG3 MET A 1 -5.535 -18.309 7.700 1.00 23.14 H new ATOM 0 HE1 MET A 1 -6.211 -14.693 9.009 1.00 45.11 H new ATOM 0 HE2 MET A 1 -4.676 -15.553 8.741 1.00 45.11 H new ATOM 0 HE3 MET A 1 -6.001 -15.709 7.563 1.00 45.11 H new ATOM 20 N GLN A 2 -3.367 -20.499 10.524 1.00 0.10 N ATOM 21 CA GLN A 2 -1.920 -20.415 10.849 1.00 35.43 C ATOM 22 C GLN A 2 -1.404 -18.955 10.901 1.00 71.21 C ATOM 23 O GLN A 2 -1.865 -18.082 10.144 1.00 44.44 O ATOM 24 CB GLN A 2 -1.080 -21.222 9.831 1.00 23.32 C ATOM 25 CG GLN A 2 -1.380 -22.730 9.797 1.00 2.45 C ATOM 26 CD GLN A 2 -0.517 -23.481 8.780 1.00 25.44 C ATOM 27 OE1 GLN A 2 -0.886 -23.627 7.619 1.00 72.15 O ATOM 28 NE2 GLN A 2 0.641 -23.949 9.204 1.00 61.33 N ATOM 0 H GLN A 2 -3.568 -21.058 9.695 1.00 0.10 H new ATOM 0 HA GLN A 2 -1.804 -20.845 11.844 1.00 35.43 H new ATOM 0 HB2 GLN A 2 -1.248 -20.810 8.836 1.00 23.32 H new ATOM 0 HB3 GLN A 2 -0.024 -21.081 10.060 1.00 23.32 H new ATOM 0 HG2 GLN A 2 -1.215 -23.151 10.789 1.00 2.45 H new ATOM 0 HG3 GLN A 2 -2.432 -22.882 9.557 1.00 2.45 H new ATOM 0 HE21 GLN A 2 0.921 -23.812 10.175 1.00 61.33 H new ATOM 0 HE22 GLN A 2 1.256 -24.447 8.561 1.00 61.33 H new ATOM 37 N GLU A 3 -0.411 -18.733 11.782 1.00 61.33 N ATOM 38 CA GLU A 3 0.164 -17.401 12.054 1.00 20.02 C ATOM 39 C GLU A 3 0.834 -16.794 10.806 1.00 35.22 C ATOM 40 O GLU A 3 0.840 -15.589 10.645 1.00 0.31 O ATOM 41 CB GLU A 3 1.186 -17.487 13.216 1.00 72.34 C ATOM 42 CG GLU A 3 0.608 -18.050 14.530 1.00 31.10 C ATOM 43 CD GLU A 3 1.637 -18.082 15.669 1.00 22.05 C ATOM 44 OE1 GLU A 3 1.823 -17.043 16.338 1.00 72.13 O ATOM 45 OE2 GLU A 3 2.272 -19.131 15.892 1.00 60.14 O ATOM 0 H GLU A 3 0.019 -19.478 12.330 1.00 61.33 H new ATOM 0 HA GLU A 3 -0.657 -16.744 12.339 1.00 20.02 H new ATOM 0 HB2 GLU A 3 2.022 -18.113 12.903 1.00 72.34 H new ATOM 0 HB3 GLU A 3 1.587 -16.491 13.406 1.00 72.34 H new ATOM 0 HG2 GLU A 3 -0.245 -17.444 14.835 1.00 31.10 H new ATOM 0 HG3 GLU A 3 0.236 -19.059 14.355 1.00 31.10 H new ATOM 52 N GLU A 4 1.386 -17.655 9.937 1.00 30.45 N ATOM 53 CA GLU A 4 2.049 -17.246 8.670 1.00 74.54 C ATOM 54 C GLU A 4 1.078 -16.531 7.687 1.00 51.30 C ATOM 55 O GLU A 4 1.469 -15.587 6.988 1.00 15.15 O ATOM 56 CB GLU A 4 2.689 -18.492 8.003 1.00 11.05 C ATOM 57 CG GLU A 4 1.697 -19.642 7.712 1.00 11.43 C ATOM 58 CD GLU A 4 2.382 -20.905 7.176 1.00 33.34 C ATOM 59 OE1 GLU A 4 2.842 -21.731 7.987 1.00 21.43 O ATOM 60 OE2 GLU A 4 2.491 -21.060 5.946 1.00 62.43 O ATOM 0 H GLU A 4 1.389 -18.664 10.087 1.00 30.45 H new ATOM 0 HA GLU A 4 2.822 -16.518 8.917 1.00 74.54 H new ATOM 0 HB2 GLU A 4 3.158 -18.187 7.067 1.00 11.05 H new ATOM 0 HB3 GLU A 4 3.482 -18.868 8.649 1.00 11.05 H new ATOM 0 HG2 GLU A 4 1.157 -19.889 8.626 1.00 11.43 H new ATOM 0 HG3 GLU A 4 0.957 -19.301 6.987 1.00 11.43 H new ATOM 67 N ARG A 5 -0.191 -16.985 7.651 1.00 32.24 N ATOM 68 CA ARG A 5 -1.240 -16.373 6.803 1.00 74.41 C ATOM 69 C ARG A 5 -1.793 -15.079 7.457 1.00 33.51 C ATOM 70 O ARG A 5 -2.181 -14.139 6.759 1.00 14.13 O ATOM 71 CB ARG A 5 -2.379 -17.388 6.512 1.00 63.10 C ATOM 72 CG ARG A 5 -3.434 -16.887 5.490 1.00 12.33 C ATOM 73 CD ARG A 5 -4.454 -17.967 5.094 1.00 50.43 C ATOM 74 NE ARG A 5 -5.450 -17.437 4.145 1.00 62.31 N ATOM 75 CZ ARG A 5 -5.841 -18.013 3.033 1.00 25.41 C ATOM 76 NH1 ARG A 5 -5.366 -19.157 2.657 1.00 31.14 N ATOM 77 NH2 ARG A 5 -6.719 -17.425 2.290 1.00 1.11 N ATOM 0 H ARG A 5 -0.518 -17.778 8.202 1.00 32.24 H new ATOM 0 HA ARG A 5 -0.789 -16.098 5.850 1.00 74.41 H new ATOM 0 HB2 ARG A 5 -1.939 -18.313 6.139 1.00 63.10 H new ATOM 0 HB3 ARG A 5 -2.883 -17.629 7.448 1.00 63.10 H new ATOM 0 HG2 ARG A 5 -3.964 -16.034 5.913 1.00 12.33 H new ATOM 0 HG3 ARG A 5 -2.923 -16.533 4.595 1.00 12.33 H new ATOM 0 HD2 ARG A 5 -3.935 -18.814 4.645 1.00 50.43 H new ATOM 0 HD3 ARG A 5 -4.959 -18.338 5.986 1.00 50.43 H new ATOM 0 HE ARG A 5 -5.875 -16.539 4.374 1.00 62.31 H new ATOM 0 HH11 ARG A 5 -4.670 -19.633 3.230 1.00 31.14 H new ATOM 0 HH12 ARG A 5 -5.688 -19.582 1.787 1.00 31.14 H new ATOM 0 HH21 ARG A 5 -7.101 -16.522 2.570 1.00 1.11 H new ATOM 0 HH22 ARG A 5 -7.030 -17.864 1.423 1.00 1.11 H new ATOM 91 N LYS A 6 -1.820 -15.049 8.802 1.00 60.31 N ATOM 92 CA LYS A 6 -2.101 -13.808 9.573 1.00 72.33 C ATOM 93 C LYS A 6 -0.990 -12.753 9.349 1.00 43.10 C ATOM 94 O LYS A 6 -1.283 -11.564 9.228 1.00 1.25 O ATOM 95 CB LYS A 6 -2.279 -14.116 11.100 1.00 43.43 C ATOM 96 CG LYS A 6 -3.750 -14.249 11.563 1.00 33.10 C ATOM 97 CD LYS A 6 -4.539 -12.921 11.412 1.00 3.20 C ATOM 98 CE LYS A 6 -5.980 -13.024 11.939 1.00 24.03 C ATOM 99 NZ LYS A 6 -6.696 -11.723 11.843 1.00 42.01 N ATOM 0 H LYS A 6 -1.651 -15.869 9.385 1.00 60.31 H new ATOM 0 HA LYS A 6 -3.040 -13.394 9.205 1.00 72.33 H new ATOM 0 HB2 LYS A 6 -1.753 -15.041 11.334 1.00 43.43 H new ATOM 0 HB3 LYS A 6 -1.801 -13.323 11.675 1.00 43.43 H new ATOM 0 HG2 LYS A 6 -4.242 -15.029 10.982 1.00 33.10 H new ATOM 0 HG3 LYS A 6 -3.773 -14.566 12.606 1.00 33.10 H new ATOM 0 HD2 LYS A 6 -4.016 -12.129 11.948 1.00 3.20 H new ATOM 0 HD3 LYS A 6 -4.561 -12.633 10.361 1.00 3.20 H new ATOM 0 HE2 LYS A 6 -6.522 -13.780 11.371 1.00 24.03 H new ATOM 0 HE3 LYS A 6 -5.965 -13.355 12.977 1.00 24.03 H new ATOM 0 HZ1 LYS A 6 -7.664 -11.832 12.207 1.00 42.01 H new ATOM 0 HZ2 LYS A 6 -6.193 -11.007 12.405 1.00 42.01 H new ATOM 0 HZ3 LYS A 6 -6.732 -11.419 10.849 1.00 42.01 H new ATOM 113 N LYS A 7 0.276 -13.224 9.268 1.00 11.22 N ATOM 114 CA LYS A 7 1.445 -12.365 8.979 1.00 14.31 C ATOM 115 C LYS A 7 1.352 -11.757 7.572 1.00 2.10 C ATOM 116 O LYS A 7 1.829 -10.664 7.356 1.00 41.32 O ATOM 117 CB LYS A 7 2.783 -13.137 9.125 1.00 11.12 C ATOM 118 CG LYS A 7 3.184 -13.469 10.580 1.00 23.32 C ATOM 119 CD LYS A 7 4.533 -14.225 10.663 1.00 3.11 C ATOM 120 CE LYS A 7 5.719 -13.387 10.154 1.00 11.13 C ATOM 121 NZ LYS A 7 6.986 -14.158 10.158 1.00 32.13 N ATOM 0 H LYS A 7 0.514 -14.207 9.401 1.00 11.22 H new ATOM 0 HA LYS A 7 1.432 -11.562 9.716 1.00 14.31 H new ATOM 0 HB2 LYS A 7 2.713 -14.067 8.561 1.00 11.12 H new ATOM 0 HB3 LYS A 7 3.578 -12.547 8.669 1.00 11.12 H new ATOM 0 HG2 LYS A 7 3.252 -12.545 11.155 1.00 23.32 H new ATOM 0 HG3 LYS A 7 2.403 -14.074 11.040 1.00 23.32 H new ATOM 0 HD2 LYS A 7 4.718 -14.517 11.697 1.00 3.11 H new ATOM 0 HD3 LYS A 7 4.466 -15.143 10.080 1.00 3.11 H new ATOM 0 HE2 LYS A 7 5.509 -13.039 9.142 1.00 11.13 H new ATOM 0 HE3 LYS A 7 5.832 -12.501 10.779 1.00 11.13 H new ATOM 0 HZ1 LYS A 7 7.759 -13.557 9.808 1.00 32.13 H new ATOM 0 HZ2 LYS A 7 7.200 -14.469 11.127 1.00 32.13 H new ATOM 0 HZ3 LYS A 7 6.888 -14.990 9.542 1.00 32.13 H new ATOM 135 N LEU A 8 0.745 -12.497 6.636 1.00 10.01 N ATOM 136 CA LEU A 8 0.488 -12.023 5.261 1.00 53.22 C ATOM 137 C LEU A 8 -0.465 -10.790 5.250 1.00 64.53 C ATOM 138 O LEU A 8 -0.224 -9.800 4.540 1.00 61.42 O ATOM 139 CB LEU A 8 -0.107 -13.193 4.428 1.00 4.32 C ATOM 140 CG LEU A 8 -0.453 -12.891 2.938 1.00 52.42 C ATOM 141 CD1 LEU A 8 0.794 -12.423 2.160 1.00 31.22 C ATOM 142 CD2 LEU A 8 -1.116 -14.113 2.260 1.00 21.12 C ATOM 0 H LEU A 8 0.415 -13.447 6.807 1.00 10.01 H new ATOM 0 HA LEU A 8 1.429 -11.699 4.816 1.00 53.22 H new ATOM 0 HB2 LEU A 8 0.602 -14.021 4.451 1.00 4.32 H new ATOM 0 HB3 LEU A 8 -1.015 -13.536 4.925 1.00 4.32 H new ATOM 0 HG LEU A 8 -1.175 -12.075 2.922 1.00 52.42 H new ATOM 0 HD11 LEU A 8 0.522 -12.220 1.124 1.00 31.22 H new ATOM 0 HD12 LEU A 8 1.188 -11.515 2.616 1.00 31.22 H new ATOM 0 HD13 LEU A 8 1.555 -13.203 2.189 1.00 31.22 H new ATOM 0 HD21 LEU A 8 -1.346 -13.873 1.222 1.00 21.12 H new ATOM 0 HD22 LEU A 8 -0.434 -14.962 2.293 1.00 21.12 H new ATOM 0 HD23 LEU A 8 -2.036 -14.366 2.786 1.00 21.12 H new ATOM 154 N LEU A 9 -1.525 -10.865 6.074 1.00 33.12 N ATOM 155 CA LEU A 9 -2.577 -9.823 6.149 1.00 63.23 C ATOM 156 C LEU A 9 -2.088 -8.563 6.903 1.00 21.43 C ATOM 157 O LEU A 9 -2.233 -7.437 6.404 1.00 60.13 O ATOM 158 CB LEU A 9 -3.840 -10.409 6.833 1.00 43.24 C ATOM 159 CG LEU A 9 -4.426 -11.706 6.181 1.00 31.33 C ATOM 160 CD1 LEU A 9 -5.642 -12.232 6.975 1.00 63.20 C ATOM 161 CD2 LEU A 9 -4.773 -11.491 4.682 1.00 25.31 C ATOM 0 H LEU A 9 -1.681 -11.648 6.709 1.00 33.12 H new ATOM 0 HA LEU A 9 -2.822 -9.514 5.133 1.00 63.23 H new ATOM 0 HB2 LEU A 9 -3.600 -10.625 7.874 1.00 43.24 H new ATOM 0 HB3 LEU A 9 -4.616 -9.644 6.837 1.00 43.24 H new ATOM 0 HG LEU A 9 -3.650 -12.470 6.223 1.00 31.33 H new ATOM 0 HD11 LEU A 9 -6.026 -13.133 6.497 1.00 63.20 H new ATOM 0 HD12 LEU A 9 -5.337 -12.464 7.996 1.00 63.20 H new ATOM 0 HD13 LEU A 9 -6.422 -11.470 6.993 1.00 63.20 H new ATOM 0 HD21 LEU A 9 -5.177 -12.414 4.266 1.00 25.31 H new ATOM 0 HD22 LEU A 9 -5.514 -10.697 4.590 1.00 25.31 H new ATOM 0 HD23 LEU A 9 -3.872 -11.211 4.136 1.00 25.31 H new ATOM 173 N GLU A 10 -1.496 -8.765 8.104 1.00 11.13 N ATOM 174 CA GLU A 10 -0.974 -7.655 8.939 1.00 3.34 C ATOM 175 C GLU A 10 0.240 -6.971 8.288 1.00 72.01 C ATOM 176 O GLU A 10 0.419 -5.773 8.459 1.00 23.23 O ATOM 177 CB GLU A 10 -0.649 -8.122 10.402 1.00 51.12 C ATOM 178 CG GLU A 10 0.439 -9.229 10.571 1.00 42.12 C ATOM 179 CD GLU A 10 1.922 -8.776 10.678 1.00 23.12 C ATOM 180 OE1 GLU A 10 2.228 -7.565 10.630 1.00 12.43 O ATOM 181 OE2 GLU A 10 2.801 -9.654 10.835 1.00 74.40 O ATOM 0 H GLU A 10 -1.367 -9.688 8.518 1.00 11.13 H new ATOM 0 HA GLU A 10 -1.770 -6.913 9.006 1.00 3.34 H new ATOM 0 HB2 GLU A 10 -0.335 -7.249 10.974 1.00 51.12 H new ATOM 0 HB3 GLU A 10 -1.572 -8.484 10.854 1.00 51.12 H new ATOM 0 HG2 GLU A 10 0.198 -9.802 11.467 1.00 42.12 H new ATOM 0 HG3 GLU A 10 0.357 -9.911 9.725 1.00 42.12 H new ATOM 188 N LYS A 11 1.076 -7.744 7.552 1.00 31.54 N ATOM 189 CA LYS A 11 2.251 -7.190 6.832 1.00 24.41 C ATOM 190 C LYS A 11 1.815 -6.190 5.759 1.00 4.52 C ATOM 191 O LYS A 11 2.462 -5.165 5.579 1.00 14.40 O ATOM 192 CB LYS A 11 3.107 -8.310 6.189 1.00 2.13 C ATOM 193 CG LYS A 11 4.338 -7.828 5.396 1.00 21.44 C ATOM 194 CD LYS A 11 5.266 -8.990 4.981 1.00 5.23 C ATOM 195 CE LYS A 11 6.501 -8.505 4.220 1.00 55.53 C ATOM 196 NZ LYS A 11 7.275 -7.492 4.984 1.00 63.13 N ATOM 0 H LYS A 11 0.959 -8.751 7.441 1.00 31.54 H new ATOM 0 HA LYS A 11 2.863 -6.673 7.571 1.00 24.41 H new ATOM 0 HB2 LYS A 11 3.444 -8.984 6.977 1.00 2.13 H new ATOM 0 HB3 LYS A 11 2.471 -8.892 5.522 1.00 2.13 H new ATOM 0 HG2 LYS A 11 4.006 -7.296 4.504 1.00 21.44 H new ATOM 0 HG3 LYS A 11 4.900 -7.117 6.001 1.00 21.44 H new ATOM 0 HD2 LYS A 11 5.581 -9.535 5.871 1.00 5.23 H new ATOM 0 HD3 LYS A 11 4.710 -9.691 4.358 1.00 5.23 H new ATOM 0 HE2 LYS A 11 7.144 -9.356 3.996 1.00 55.53 H new ATOM 0 HE3 LYS A 11 6.192 -8.079 3.266 1.00 55.53 H new ATOM 0 HZ1 LYS A 11 8.146 -7.257 4.466 1.00 63.13 H new ATOM 0 HZ2 LYS A 11 6.700 -6.633 5.103 1.00 63.13 H new ATOM 0 HZ3 LYS A 11 7.521 -7.876 5.919 1.00 63.13 H new ATOM 210 N LEU A 12 0.704 -6.499 5.069 1.00 25.22 N ATOM 211 CA LEU A 12 0.112 -5.598 4.061 1.00 10.41 C ATOM 212 C LEU A 12 -0.297 -4.257 4.729 1.00 63.40 C ATOM 213 O LEU A 12 0.108 -3.189 4.284 1.00 32.42 O ATOM 214 CB LEU A 12 -1.083 -6.315 3.349 1.00 3.21 C ATOM 215 CG LEU A 12 -1.643 -5.667 2.027 1.00 13.41 C ATOM 216 CD1 LEU A 12 -2.571 -4.459 2.287 1.00 65.20 C ATOM 217 CD2 LEU A 12 -0.490 -5.288 1.069 1.00 14.11 C ATOM 0 H LEU A 12 0.193 -7.373 5.192 1.00 25.22 H new ATOM 0 HA LEU A 12 0.845 -5.358 3.291 1.00 10.41 H new ATOM 0 HB2 LEU A 12 -0.773 -7.334 3.118 1.00 3.21 H new ATOM 0 HB3 LEU A 12 -1.904 -6.386 4.062 1.00 3.21 H new ATOM 0 HG LEU A 12 -2.261 -6.427 1.548 1.00 13.41 H new ATOM 0 HD11 LEU A 12 -2.922 -4.059 1.336 1.00 65.20 H new ATOM 0 HD12 LEU A 12 -3.425 -4.778 2.884 1.00 65.20 H new ATOM 0 HD13 LEU A 12 -2.021 -3.687 2.824 1.00 65.20 H new ATOM 0 HD21 LEU A 12 -0.901 -4.842 0.163 1.00 14.11 H new ATOM 0 HD22 LEU A 12 0.169 -4.571 1.559 1.00 14.11 H new ATOM 0 HD23 LEU A 12 0.076 -6.183 0.809 1.00 14.11 H new ATOM 229 N GLU A 13 -1.059 -4.347 5.833 1.00 53.32 N ATOM 230 CA GLU A 13 -1.480 -3.168 6.645 1.00 3.44 C ATOM 231 C GLU A 13 -0.259 -2.398 7.232 1.00 63.22 C ATOM 232 O GLU A 13 -0.304 -1.182 7.425 1.00 61.32 O ATOM 233 CB GLU A 13 -2.408 -3.647 7.789 1.00 42.41 C ATOM 234 CG GLU A 13 -3.637 -4.434 7.305 1.00 53.23 C ATOM 235 CD GLU A 13 -4.495 -4.985 8.455 1.00 71.22 C ATOM 236 OE1 GLU A 13 -4.106 -5.999 9.070 1.00 41.11 O ATOM 237 OE2 GLU A 13 -5.556 -4.405 8.750 1.00 33.41 O ATOM 0 H GLU A 13 -1.406 -5.235 6.196 1.00 53.32 H new ATOM 0 HA GLU A 13 -2.013 -2.476 5.993 1.00 3.44 H new ATOM 0 HB2 GLU A 13 -1.834 -4.273 8.472 1.00 42.41 H new ATOM 0 HB3 GLU A 13 -2.745 -2.780 8.358 1.00 42.41 H new ATOM 0 HG2 GLU A 13 -4.252 -3.787 6.680 1.00 53.23 H new ATOM 0 HG3 GLU A 13 -3.306 -5.262 6.678 1.00 53.23 H new ATOM 244 N LYS A 14 0.814 -3.150 7.509 1.00 42.53 N ATOM 245 CA LYS A 14 2.083 -2.624 8.052 1.00 32.21 C ATOM 246 C LYS A 14 2.891 -1.871 6.969 1.00 73.14 C ATOM 247 O LYS A 14 3.622 -0.930 7.291 1.00 2.05 O ATOM 248 CB LYS A 14 2.886 -3.798 8.649 1.00 31.22 C ATOM 249 CG LYS A 14 4.215 -3.439 9.355 1.00 44.31 C ATOM 250 CD LYS A 14 4.764 -4.630 10.182 1.00 25.03 C ATOM 251 CE LYS A 14 4.996 -5.902 9.338 1.00 40.03 C ATOM 252 NZ LYS A 14 5.174 -7.108 10.189 1.00 45.24 N ATOM 0 H LYS A 14 0.830 -4.159 7.361 1.00 42.53 H new ATOM 0 HA LYS A 14 1.871 -1.898 8.837 1.00 32.21 H new ATOM 0 HB2 LYS A 14 2.249 -4.317 9.365 1.00 31.22 H new ATOM 0 HB3 LYS A 14 3.106 -4.503 7.847 1.00 31.22 H new ATOM 0 HG2 LYS A 14 4.954 -3.141 8.611 1.00 44.31 H new ATOM 0 HG3 LYS A 14 4.059 -2.582 10.010 1.00 44.31 H new ATOM 0 HD2 LYS A 14 5.703 -4.336 10.650 1.00 25.03 H new ATOM 0 HD3 LYS A 14 4.065 -4.858 10.986 1.00 25.03 H new ATOM 0 HE2 LYS A 14 4.149 -6.052 8.668 1.00 40.03 H new ATOM 0 HE3 LYS A 14 5.878 -5.766 8.712 1.00 40.03 H new ATOM 0 HZ1 LYS A 14 5.681 -7.840 9.652 1.00 45.24 H new ATOM 0 HZ2 LYS A 14 5.723 -6.857 11.036 1.00 45.24 H new ATOM 0 HZ3 LYS A 14 4.243 -7.472 10.475 1.00 45.24 H new ATOM 266 N ILE A 15 2.743 -2.291 5.681 1.00 40.14 N ATOM 267 CA ILE A 15 3.252 -1.508 4.527 1.00 0.12 C ATOM 268 C ILE A 15 2.547 -0.146 4.533 1.00 43.35 C ATOM 269 O ILE A 15 3.196 0.875 4.539 1.00 43.33 O ATOM 270 CB ILE A 15 2.983 -2.178 3.125 1.00 43.42 C ATOM 271 CG1 ILE A 15 3.541 -3.621 3.064 1.00 21.55 C ATOM 272 CG2 ILE A 15 3.576 -1.318 1.972 1.00 15.40 C ATOM 273 CD1 ILE A 15 3.262 -4.340 1.759 1.00 14.12 C ATOM 0 H ILE A 15 2.278 -3.161 5.421 1.00 40.14 H new ATOM 0 HA ILE A 15 4.333 -1.437 4.647 1.00 0.12 H new ATOM 0 HB ILE A 15 1.902 -2.232 2.996 1.00 43.42 H new ATOM 0 HG12 ILE A 15 4.619 -3.589 3.225 1.00 21.55 H new ATOM 0 HG13 ILE A 15 3.113 -4.199 3.883 1.00 21.55 H new ATOM 0 HG21 ILE A 15 3.376 -1.803 1.017 1.00 15.40 H new ATOM 0 HG22 ILE A 15 3.115 -0.330 1.981 1.00 15.40 H new ATOM 0 HG23 ILE A 15 4.653 -1.217 2.110 1.00 15.40 H new ATOM 0 HD11 ILE A 15 3.686 -5.343 1.799 1.00 14.12 H new ATOM 0 HD12 ILE A 15 2.185 -4.407 1.603 1.00 14.12 H new ATOM 0 HD13 ILE A 15 3.714 -3.787 0.935 1.00 14.12 H new ATOM 285 N LEU A 16 1.194 -0.188 4.573 1.00 24.12 N ATOM 286 CA LEU A 16 0.314 1.011 4.625 1.00 31.15 C ATOM 287 C LEU A 16 0.710 1.968 5.784 1.00 34.44 C ATOM 288 O LEU A 16 0.613 3.182 5.641 1.00 12.32 O ATOM 289 CB LEU A 16 -1.188 0.580 4.751 1.00 20.41 C ATOM 290 CG LEU A 16 -1.936 0.150 3.432 1.00 55.53 C ATOM 291 CD1 LEU A 16 -1.160 -0.898 2.602 1.00 33.51 C ATOM 292 CD2 LEU A 16 -3.363 -0.370 3.751 1.00 10.35 C ATOM 0 H LEU A 16 0.673 -1.065 4.570 1.00 24.12 H new ATOM 0 HA LEU A 16 0.446 1.559 3.692 1.00 31.15 H new ATOM 0 HB2 LEU A 16 -1.241 -0.251 5.454 1.00 20.41 H new ATOM 0 HB3 LEU A 16 -1.739 1.409 5.195 1.00 20.41 H new ATOM 0 HG LEU A 16 -2.005 1.048 2.819 1.00 55.53 H new ATOM 0 HD11 LEU A 16 -1.731 -1.149 1.708 1.00 33.51 H new ATOM 0 HD12 LEU A 16 -0.193 -0.488 2.311 1.00 33.51 H new ATOM 0 HD13 LEU A 16 -1.008 -1.796 3.200 1.00 33.51 H new ATOM 0 HD21 LEU A 16 -3.860 -0.661 2.825 1.00 10.35 H new ATOM 0 HD22 LEU A 16 -3.296 -1.233 4.413 1.00 10.35 H new ATOM 0 HD23 LEU A 16 -3.937 0.418 4.239 1.00 10.35 H new ATOM 304 N ASP A 17 1.171 1.397 6.910 1.00 75.11 N ATOM 305 CA ASP A 17 1.687 2.174 8.060 1.00 21.12 C ATOM 306 C ASP A 17 3.017 2.903 7.682 1.00 53.42 C ATOM 307 O ASP A 17 3.198 4.084 7.990 1.00 4.30 O ATOM 308 CB ASP A 17 1.882 1.225 9.274 1.00 42.23 C ATOM 309 CG ASP A 17 2.247 1.959 10.578 1.00 44.14 C ATOM 310 OD1 ASP A 17 1.337 2.481 11.254 1.00 51.13 O ATOM 311 OD2 ASP A 17 3.443 2.026 10.932 1.00 33.40 O ATOM 0 H ASP A 17 1.198 0.387 7.053 1.00 75.11 H new ATOM 0 HA ASP A 17 0.965 2.944 8.332 1.00 21.12 H new ATOM 0 HB2 ASP A 17 0.965 0.657 9.431 1.00 42.23 H new ATOM 0 HB3 ASP A 17 2.667 0.506 9.040 1.00 42.23 H new ATOM 316 N GLU A 18 3.924 2.179 6.990 1.00 32.24 N ATOM 317 CA GLU A 18 5.202 2.740 6.465 1.00 73.52 C ATOM 318 C GLU A 18 4.951 3.779 5.335 1.00 53.33 C ATOM 319 O GLU A 18 5.713 4.740 5.182 1.00 53.15 O ATOM 320 CB GLU A 18 6.106 1.597 5.923 1.00 50.20 C ATOM 321 CG GLU A 18 6.493 0.527 6.957 1.00 21.32 C ATOM 322 CD GLU A 18 7.290 -0.637 6.344 1.00 41.23 C ATOM 323 OE1 GLU A 18 8.529 -0.518 6.219 1.00 44.32 O ATOM 324 OE2 GLU A 18 6.683 -1.667 5.965 1.00 13.24 O ATOM 0 H GLU A 18 3.797 1.190 6.776 1.00 32.24 H new ATOM 0 HA GLU A 18 5.701 3.247 7.291 1.00 73.52 H new ATOM 0 HB2 GLU A 18 5.592 1.110 5.094 1.00 50.20 H new ATOM 0 HB3 GLU A 18 7.018 2.036 5.519 1.00 50.20 H new ATOM 0 HG2 GLU A 18 7.085 0.990 7.747 1.00 21.32 H new ATOM 0 HG3 GLU A 18 5.589 0.136 7.423 1.00 21.32 H new ATOM 331 N VAL A 19 3.871 3.555 4.558 1.00 4.32 N ATOM 332 CA VAL A 19 3.487 4.409 3.412 1.00 5.52 C ATOM 333 C VAL A 19 2.949 5.758 3.899 1.00 0.43 C ATOM 334 O VAL A 19 3.421 6.791 3.454 1.00 34.25 O ATOM 335 CB VAL A 19 2.431 3.701 2.473 1.00 31.03 C ATOM 336 CG1 VAL A 19 1.932 4.645 1.356 1.00 32.45 C ATOM 337 CG2 VAL A 19 3.022 2.411 1.858 1.00 31.24 C ATOM 0 H VAL A 19 3.236 2.771 4.708 1.00 4.32 H new ATOM 0 HA VAL A 19 4.387 4.580 2.822 1.00 5.52 H new ATOM 0 HB VAL A 19 1.574 3.436 3.093 1.00 31.03 H new ATOM 0 HG11 VAL A 19 1.208 4.120 0.733 1.00 32.45 H new ATOM 0 HG12 VAL A 19 1.460 5.520 1.803 1.00 32.45 H new ATOM 0 HG13 VAL A 19 2.776 4.962 0.743 1.00 32.45 H new ATOM 0 HG21 VAL A 19 2.278 1.940 1.215 1.00 31.24 H new ATOM 0 HG22 VAL A 19 3.905 2.660 1.269 1.00 31.24 H new ATOM 0 HG23 VAL A 19 3.301 1.722 2.656 1.00 31.24 H new ATOM 347 N THR A 20 1.977 5.728 4.826 1.00 74.14 N ATOM 348 CA THR A 20 1.376 6.943 5.426 1.00 45.21 C ATOM 349 C THR A 20 2.434 7.789 6.175 1.00 2.32 C ATOM 350 O THR A 20 2.389 9.022 6.140 1.00 55.21 O ATOM 351 CB THR A 20 0.211 6.577 6.403 1.00 20.22 C ATOM 352 OG1 THR A 20 0.689 5.677 7.419 1.00 61.05 O ATOM 353 CG2 THR A 20 -0.980 5.933 5.666 1.00 32.13 C ATOM 0 H THR A 20 1.581 4.860 5.185 1.00 74.14 H new ATOM 0 HA THR A 20 0.974 7.535 4.604 1.00 45.21 H new ATOM 0 HB THR A 20 -0.138 7.504 6.858 1.00 20.22 H new ATOM 0 HG1 THR A 20 0.745 4.770 7.052 1.00 61.05 H new ATOM 0 HG21 THR A 20 -1.766 5.695 6.383 1.00 32.13 H new ATOM 0 HG22 THR A 20 -1.367 6.629 4.921 1.00 32.13 H new ATOM 0 HG23 THR A 20 -0.651 5.019 5.172 1.00 32.13 H new ATOM 361 N ASP A 21 3.391 7.108 6.830 1.00 42.14 N ATOM 362 CA ASP A 21 4.529 7.766 7.516 1.00 3.20 C ATOM 363 C ASP A 21 5.507 8.428 6.498 1.00 15.44 C ATOM 364 O ASP A 21 5.940 9.571 6.693 1.00 72.01 O ATOM 365 CB ASP A 21 5.265 6.731 8.406 1.00 23.01 C ATOM 366 CG ASP A 21 6.423 7.339 9.220 1.00 51.10 C ATOM 367 OD1 ASP A 21 6.153 8.031 10.225 1.00 35.12 O ATOM 368 OD2 ASP A 21 7.604 7.134 8.859 1.00 14.11 O ATOM 0 H ASP A 21 3.402 6.091 6.902 1.00 42.14 H new ATOM 0 HA ASP A 21 4.140 8.565 8.147 1.00 3.20 H new ATOM 0 HB2 ASP A 21 4.549 6.277 9.090 1.00 23.01 H new ATOM 0 HB3 ASP A 21 5.654 5.932 7.775 1.00 23.01 H new ATOM 373 N GLY A 22 5.830 7.702 5.407 1.00 23.02 N ATOM 374 CA GLY A 22 6.752 8.203 4.360 1.00 21.24 C ATOM 375 C GLY A 22 6.047 8.934 3.208 1.00 63.21 C ATOM 376 O GLY A 22 6.668 9.238 2.178 1.00 60.31 O ATOM 0 H GLY A 22 5.467 6.766 5.226 1.00 23.02 H new ATOM 0 HA2 GLY A 22 7.474 8.879 4.819 1.00 21.24 H new ATOM 0 HA3 GLY A 22 7.315 7.363 3.954 1.00 21.24 H new ATOM 380 N ALA A 23 4.749 9.227 3.396 1.00 63.40 N ATOM 381 CA ALA A 23 3.906 9.908 2.392 1.00 5.41 C ATOM 382 C ALA A 23 4.113 11.440 2.405 1.00 20.10 C ATOM 383 O ALA A 23 4.312 12.027 3.481 1.00 71.53 O ATOM 384 CB ALA A 23 2.431 9.603 2.664 1.00 0.13 C ATOM 0 H ALA A 23 4.249 8.997 4.255 1.00 63.40 H new ATOM 0 HA ALA A 23 4.200 9.533 1.411 1.00 5.41 H new ATOM 0 HB1 ALA A 23 1.812 10.107 1.921 1.00 0.13 H new ATOM 0 HB2 ALA A 23 2.265 8.527 2.605 1.00 0.13 H new ATOM 0 HB3 ALA A 23 2.164 9.957 3.660 1.00 0.13 H new ATOM 390 N PRO A 24 4.092 12.113 1.210 1.00 72.33 N ATOM 391 CA PRO A 24 3.912 13.586 1.132 1.00 34.22 C ATOM 392 C PRO A 24 2.565 14.016 1.780 1.00 24.33 C ATOM 393 O PRO A 24 1.567 13.321 1.614 1.00 60.31 O ATOM 394 CB PRO A 24 3.942 13.878 -0.396 1.00 10.21 C ATOM 395 CG PRO A 24 4.684 12.711 -0.985 1.00 73.05 C ATOM 396 CD PRO A 24 4.300 11.517 -0.137 1.00 63.14 C ATOM 0 HA PRO A 24 4.678 14.142 1.673 1.00 34.22 H new ATOM 0 HB2 PRO A 24 2.935 13.956 -0.805 1.00 10.21 H new ATOM 0 HB3 PRO A 24 4.447 14.820 -0.611 1.00 10.21 H new ATOM 0 HG2 PRO A 24 4.408 12.557 -2.028 1.00 73.05 H new ATOM 0 HG3 PRO A 24 5.761 12.879 -0.962 1.00 73.05 H new ATOM 0 HD2 PRO A 24 3.396 11.033 -0.508 1.00 63.14 H new ATOM 0 HD3 PRO A 24 5.085 10.761 -0.126 1.00 63.14 H new ATOM 404 N ASP A 25 2.565 15.162 2.491 1.00 70.40 N ATOM 405 CA ASP A 25 1.429 15.643 3.339 1.00 13.41 C ATOM 406 C ASP A 25 0.037 15.563 2.642 1.00 12.21 C ATOM 407 O ASP A 25 -0.894 14.925 3.149 1.00 31.01 O ATOM 408 CB ASP A 25 1.694 17.108 3.783 1.00 42.01 C ATOM 409 CG ASP A 25 3.009 17.274 4.555 1.00 31.34 C ATOM 410 OD1 ASP A 25 4.070 17.447 3.917 1.00 41.05 O ATOM 411 OD2 ASP A 25 2.994 17.208 5.799 1.00 63.13 O ATOM 0 H ASP A 25 3.363 15.798 2.499 1.00 70.40 H new ATOM 0 HA ASP A 25 1.386 14.971 4.196 1.00 13.41 H new ATOM 0 HB2 ASP A 25 1.713 17.750 2.903 1.00 42.01 H new ATOM 0 HB3 ASP A 25 0.868 17.447 4.408 1.00 42.01 H new ATOM 416 N GLU A 26 -0.069 16.216 1.472 1.00 51.04 N ATOM 417 CA GLU A 26 -1.321 16.273 0.675 1.00 15.40 C ATOM 418 C GLU A 26 -1.625 14.927 -0.041 1.00 1.24 C ATOM 419 O GLU A 26 -2.791 14.536 -0.167 1.00 23.42 O ATOM 420 CB GLU A 26 -1.246 17.450 -0.340 1.00 70.21 C ATOM 421 CG GLU A 26 -0.039 17.405 -1.308 1.00 74.23 C ATOM 422 CD GLU A 26 0.036 18.633 -2.233 1.00 11.45 C ATOM 423 OE1 GLU A 26 0.613 19.664 -1.824 1.00 34.12 O ATOM 424 OE2 GLU A 26 -0.484 18.578 -3.367 1.00 31.45 O ATOM 0 H GLU A 26 0.708 16.722 1.046 1.00 51.04 H new ATOM 0 HA GLU A 26 -2.149 16.449 1.361 1.00 15.40 H new ATOM 0 HB2 GLU A 26 -2.164 17.461 -0.928 1.00 70.21 H new ATOM 0 HB3 GLU A 26 -1.212 18.387 0.216 1.00 70.21 H new ATOM 0 HG2 GLU A 26 0.882 17.336 -0.729 1.00 74.23 H new ATOM 0 HG3 GLU A 26 -0.101 16.502 -1.916 1.00 74.23 H new ATOM 431 N ALA A 27 -0.561 14.219 -0.471 1.00 4.15 N ATOM 432 CA ALA A 27 -0.672 12.892 -1.138 1.00 74.34 C ATOM 433 C ALA A 27 -1.104 11.780 -0.152 1.00 41.40 C ATOM 434 O ALA A 27 -1.662 10.760 -0.570 1.00 42.55 O ATOM 435 CB ALA A 27 0.660 12.513 -1.814 1.00 63.13 C ATOM 0 H ALA A 27 0.400 14.544 -0.369 1.00 4.15 H new ATOM 0 HA ALA A 27 -1.448 12.978 -1.898 1.00 74.34 H new ATOM 0 HB1 ALA A 27 0.560 11.541 -2.296 1.00 63.13 H new ATOM 0 HB2 ALA A 27 0.915 13.264 -2.562 1.00 63.13 H new ATOM 0 HB3 ALA A 27 1.449 12.466 -1.063 1.00 63.13 H new ATOM 441 N ARG A 28 -0.846 11.997 1.157 1.00 11.32 N ATOM 442 CA ARG A 28 -1.203 11.032 2.218 1.00 54.54 C ATOM 443 C ARG A 28 -2.731 10.890 2.362 1.00 31.43 C ATOM 444 O ARG A 28 -3.220 9.821 2.688 1.00 50.30 O ATOM 445 CB ARG A 28 -0.589 11.425 3.594 1.00 42.02 C ATOM 446 CG ARG A 28 -0.876 10.377 4.694 1.00 54.43 C ATOM 447 CD ARG A 28 -0.438 10.793 6.100 1.00 12.34 C ATOM 448 NE ARG A 28 -0.958 9.840 7.084 1.00 53.51 N ATOM 449 CZ ARG A 28 -0.706 9.834 8.362 1.00 71.01 C ATOM 450 NH1 ARG A 28 0.164 10.635 8.896 1.00 61.42 N ATOM 451 NH2 ARG A 28 -1.337 8.995 9.102 1.00 72.24 N ATOM 0 H ARG A 28 -0.388 12.839 1.505 1.00 11.32 H new ATOM 0 HA ARG A 28 -0.784 10.073 1.912 1.00 54.54 H new ATOM 0 HB2 ARG A 28 0.489 11.547 3.485 1.00 42.02 H new ATOM 0 HB3 ARG A 28 -0.989 12.390 3.904 1.00 42.02 H new ATOM 0 HG2 ARG A 28 -1.946 10.168 4.708 1.00 54.43 H new ATOM 0 HG3 ARG A 28 -0.373 9.447 4.431 1.00 54.43 H new ATOM 0 HD2 ARG A 28 0.650 10.830 6.156 1.00 12.34 H new ATOM 0 HD3 ARG A 28 -0.803 11.796 6.323 1.00 12.34 H new ATOM 0 HE ARG A 28 -1.578 9.110 6.734 1.00 53.51 H new ATOM 0 HH11 ARG A 28 0.675 11.296 8.311 1.00 61.42 H new ATOM 0 HH12 ARG A 28 0.337 10.604 9.901 1.00 61.42 H new ATOM 0 HH21 ARG A 28 -2.015 8.356 8.685 1.00 72.24 H new ATOM 0 HH22 ARG A 28 -1.160 8.967 10.106 1.00 72.24 H new ATOM 465 N GLU A 29 -3.465 11.984 2.109 1.00 64.41 N ATOM 466 CA GLU A 29 -4.946 12.013 2.171 1.00 22.22 C ATOM 467 C GLU A 29 -5.593 10.958 1.229 1.00 55.25 C ATOM 468 O GLU A 29 -6.631 10.368 1.557 1.00 33.34 O ATOM 469 CB GLU A 29 -5.439 13.443 1.836 1.00 71.13 C ATOM 470 CG GLU A 29 -4.973 14.521 2.847 1.00 21.34 C ATOM 471 CD GLU A 29 -5.551 14.306 4.262 1.00 10.40 C ATOM 472 OE1 GLU A 29 -6.715 14.709 4.497 1.00 21.32 O ATOM 473 OE2 GLU A 29 -4.869 13.715 5.128 1.00 23.24 O ATOM 0 H GLU A 29 -3.052 12.881 1.854 1.00 64.41 H new ATOM 0 HA GLU A 29 -5.256 11.749 3.182 1.00 22.22 H new ATOM 0 HB2 GLU A 29 -5.086 13.715 0.841 1.00 71.13 H new ATOM 0 HB3 GLU A 29 -6.528 13.442 1.798 1.00 71.13 H new ATOM 0 HG2 GLU A 29 -3.884 14.516 2.900 1.00 21.34 H new ATOM 0 HG3 GLU A 29 -5.270 15.505 2.484 1.00 21.34 H new ATOM 480 N ARG A 30 -4.954 10.738 0.067 1.00 4.20 N ATOM 481 CA ARG A 30 -5.313 9.658 -0.886 1.00 32.54 C ATOM 482 C ARG A 30 -5.151 8.264 -0.224 1.00 30.41 C ATOM 483 O ARG A 30 -6.037 7.403 -0.298 1.00 53.14 O ATOM 484 CB ARG A 30 -4.390 9.764 -2.138 1.00 32.22 C ATOM 485 CG ARG A 30 -4.730 8.821 -3.317 1.00 23.12 C ATOM 486 CD ARG A 30 -6.123 9.110 -3.899 1.00 52.44 C ATOM 487 NE ARG A 30 -6.384 8.371 -5.142 1.00 43.54 N ATOM 488 CZ ARG A 30 -7.338 8.650 -6.004 1.00 3.55 C ATOM 489 NH1 ARG A 30 -8.187 9.601 -5.792 1.00 55.21 N ATOM 490 NH2 ARG A 30 -7.450 7.950 -7.080 1.00 73.11 N ATOM 0 H ARG A 30 -4.167 11.306 -0.245 1.00 4.20 H new ATOM 0 HA ARG A 30 -6.356 9.772 -1.181 1.00 32.54 H new ATOM 0 HB2 ARG A 30 -4.421 10.791 -2.501 1.00 32.22 H new ATOM 0 HB3 ARG A 30 -3.364 9.567 -1.826 1.00 32.22 H new ATOM 0 HG2 ARG A 30 -3.979 8.933 -4.099 1.00 23.12 H new ATOM 0 HG3 ARG A 30 -4.686 7.786 -2.978 1.00 23.12 H new ATOM 0 HD2 ARG A 30 -6.882 8.850 -3.161 1.00 52.44 H new ATOM 0 HD3 ARG A 30 -6.218 10.179 -4.090 1.00 52.44 H new ATOM 0 HE ARG A 30 -5.777 7.579 -5.353 1.00 43.54 H new ATOM 0 HH11 ARG A 30 -8.127 10.157 -4.939 1.00 55.21 H new ATOM 0 HH12 ARG A 30 -8.917 9.795 -6.478 1.00 55.21 H new ATOM 0 HH21 ARG A 30 -6.801 7.184 -7.260 1.00 73.11 H new ATOM 0 HH22 ARG A 30 -8.188 8.162 -7.752 1.00 73.11 H new ATOM 504 N ILE A 31 -4.005 8.103 0.458 1.00 65.31 N ATOM 505 CA ILE A 31 -3.589 6.845 1.111 1.00 53.14 C ATOM 506 C ILE A 31 -4.471 6.522 2.347 1.00 74.13 C ATOM 507 O ILE A 31 -4.778 5.364 2.586 1.00 70.14 O ATOM 508 CB ILE A 31 -2.066 6.933 1.532 1.00 55.12 C ATOM 509 CG1 ILE A 31 -1.207 7.396 0.308 1.00 35.11 C ATOM 510 CG2 ILE A 31 -1.548 5.582 2.104 1.00 3.03 C ATOM 511 CD1 ILE A 31 0.241 7.726 0.606 1.00 52.34 C ATOM 0 H ILE A 31 -3.327 8.856 0.575 1.00 65.31 H new ATOM 0 HA ILE A 31 -3.719 6.035 0.393 1.00 53.14 H new ATOM 0 HB ILE A 31 -1.971 7.670 2.330 1.00 55.12 H new ATOM 0 HG12 ILE A 31 -1.233 6.611 -0.448 1.00 35.11 H new ATOM 0 HG13 ILE A 31 -1.678 8.276 -0.130 1.00 35.11 H new ATOM 0 HG21 ILE A 31 -0.499 5.683 2.382 1.00 3.03 H new ATOM 0 HG22 ILE A 31 -2.132 5.312 2.984 1.00 3.03 H new ATOM 0 HG23 ILE A 31 -1.650 4.804 1.348 1.00 3.03 H new ATOM 0 HD11 ILE A 31 0.740 8.035 -0.312 1.00 52.34 H new ATOM 0 HD12 ILE A 31 0.287 8.536 1.334 1.00 52.34 H new ATOM 0 HD13 ILE A 31 0.739 6.845 1.011 1.00 52.34 H new ATOM 523 N GLU A 32 -4.880 7.570 3.101 1.00 44.11 N ATOM 524 CA GLU A 32 -5.719 7.444 4.325 1.00 44.54 C ATOM 525 C GLU A 32 -7.099 6.826 3.995 1.00 73.23 C ATOM 526 O GLU A 32 -7.505 5.808 4.582 1.00 35.12 O ATOM 527 CB GLU A 32 -5.910 8.850 4.993 1.00 54.21 C ATOM 528 CG GLU A 32 -4.641 9.473 5.617 1.00 50.33 C ATOM 529 CD GLU A 32 -4.181 8.764 6.902 1.00 30.31 C ATOM 530 OE1 GLU A 32 -4.705 9.080 7.990 1.00 14.04 O ATOM 531 OE2 GLU A 32 -3.295 7.889 6.838 1.00 0.12 O ATOM 0 H GLU A 32 -4.637 8.535 2.878 1.00 44.11 H new ATOM 0 HA GLU A 32 -5.205 6.780 5.020 1.00 44.54 H new ATOM 0 HB2 GLU A 32 -6.299 9.538 4.243 1.00 54.21 H new ATOM 0 HB3 GLU A 32 -6.669 8.763 5.770 1.00 54.21 H new ATOM 0 HG2 GLU A 32 -3.833 9.443 4.886 1.00 50.33 H new ATOM 0 HG3 GLU A 32 -4.832 10.523 5.839 1.00 50.33 H new ATOM 538 N LYS A 33 -7.800 7.451 3.029 1.00 12.22 N ATOM 539 CA LYS A 33 -9.155 7.029 2.604 1.00 3.04 C ATOM 540 C LYS A 33 -9.161 5.627 1.952 1.00 70.04 C ATOM 541 O LYS A 33 -10.098 4.849 2.163 1.00 40.12 O ATOM 542 CB LYS A 33 -9.777 8.088 1.648 1.00 54.05 C ATOM 543 CG LYS A 33 -10.144 9.423 2.341 1.00 42.10 C ATOM 544 CD LYS A 33 -10.860 10.424 1.393 1.00 63.25 C ATOM 545 CE LYS A 33 -9.922 11.030 0.335 1.00 64.22 C ATOM 546 NZ LYS A 33 -8.903 11.915 0.950 1.00 63.32 N ATOM 0 H LYS A 33 -7.446 8.261 2.520 1.00 12.22 H new ATOM 0 HA LYS A 33 -9.768 6.959 3.502 1.00 3.04 H new ATOM 0 HB2 LYS A 33 -9.074 8.291 0.840 1.00 54.05 H new ATOM 0 HB3 LYS A 33 -10.674 7.669 1.192 1.00 54.05 H new ATOM 0 HG2 LYS A 33 -10.788 9.217 3.196 1.00 42.10 H new ATOM 0 HG3 LYS A 33 -9.237 9.885 2.730 1.00 42.10 H new ATOM 0 HD2 LYS A 33 -11.683 9.915 0.891 1.00 63.25 H new ATOM 0 HD3 LYS A 33 -11.297 11.228 1.986 1.00 63.25 H new ATOM 0 HE2 LYS A 33 -9.426 10.229 -0.213 1.00 64.22 H new ATOM 0 HE3 LYS A 33 -10.507 11.597 -0.389 1.00 64.22 H new ATOM 0 HZ1 LYS A 33 -8.555 12.590 0.239 1.00 63.32 H new ATOM 0 HZ2 LYS A 33 -9.329 12.436 1.743 1.00 63.32 H new ATOM 0 HZ3 LYS A 33 -8.110 11.340 1.299 1.00 63.32 H new ATOM 560 N LEU A 34 -8.108 5.315 1.175 1.00 34.34 N ATOM 561 CA LEU A 34 -7.964 3.998 0.507 1.00 14.43 C ATOM 562 C LEU A 34 -7.639 2.871 1.531 1.00 45.01 C ATOM 563 O LEU A 34 -8.237 1.784 1.486 1.00 23.34 O ATOM 564 CB LEU A 34 -6.868 4.084 -0.596 1.00 54.41 C ATOM 565 CG LEU A 34 -6.701 2.824 -1.514 1.00 51.12 C ATOM 566 CD1 LEU A 34 -8.023 2.468 -2.251 1.00 3.45 C ATOM 567 CD2 LEU A 34 -5.542 3.026 -2.521 1.00 61.51 C ATOM 0 H LEU A 34 -7.338 5.958 0.990 1.00 34.34 H new ATOM 0 HA LEU A 34 -8.916 3.742 0.041 1.00 14.43 H new ATOM 0 HB2 LEU A 34 -7.089 4.942 -1.231 1.00 54.41 H new ATOM 0 HB3 LEU A 34 -5.912 4.283 -0.112 1.00 54.41 H new ATOM 0 HG LEU A 34 -6.452 1.981 -0.870 1.00 51.12 H new ATOM 0 HD11 LEU A 34 -7.866 1.590 -2.877 1.00 3.45 H new ATOM 0 HD12 LEU A 34 -8.802 2.257 -1.519 1.00 3.45 H new ATOM 0 HD13 LEU A 34 -8.329 3.308 -2.875 1.00 3.45 H new ATOM 0 HD21 LEU A 34 -5.445 2.139 -3.147 1.00 61.51 H new ATOM 0 HD22 LEU A 34 -5.752 3.892 -3.149 1.00 61.51 H new ATOM 0 HD23 LEU A 34 -4.612 3.189 -1.977 1.00 61.51 H new ATOM 579 N ALA A 35 -6.711 3.171 2.470 1.00 61.43 N ATOM 580 CA ALA A 35 -6.250 2.224 3.528 1.00 53.55 C ATOM 581 C ALA A 35 -7.392 1.782 4.474 1.00 31.34 C ATOM 582 O ALA A 35 -7.354 0.670 5.024 1.00 11.31 O ATOM 583 CB ALA A 35 -5.111 2.859 4.350 1.00 10.30 C ATOM 0 H ALA A 35 -6.254 4.082 2.520 1.00 61.43 H new ATOM 0 HA ALA A 35 -5.889 1.332 3.017 1.00 53.55 H new ATOM 0 HB1 ALA A 35 -4.783 2.159 5.119 1.00 10.30 H new ATOM 0 HB2 ALA A 35 -4.274 3.094 3.692 1.00 10.30 H new ATOM 0 HB3 ALA A 35 -5.469 3.774 4.822 1.00 10.30 H new ATOM 589 N LYS A 36 -8.392 2.673 4.651 1.00 43.41 N ATOM 590 CA LYS A 36 -9.598 2.410 5.473 1.00 43.34 C ATOM 591 C LYS A 36 -10.335 1.129 5.005 1.00 3.23 C ATOM 592 O LYS A 36 -10.574 0.206 5.796 1.00 3.04 O ATOM 593 CB LYS A 36 -10.569 3.628 5.384 1.00 24.05 C ATOM 594 CG LYS A 36 -11.871 3.477 6.217 1.00 24.12 C ATOM 595 CD LYS A 36 -12.907 4.620 6.006 1.00 50.13 C ATOM 596 CE LYS A 36 -13.640 4.576 4.639 1.00 30.12 C ATOM 597 NZ LYS A 36 -12.768 4.935 3.484 1.00 20.21 N ATOM 0 H LYS A 36 -8.387 3.600 4.226 1.00 43.41 H new ATOM 0 HA LYS A 36 -9.277 2.261 6.504 1.00 43.34 H new ATOM 0 HB2 LYS A 36 -10.042 4.522 5.717 1.00 24.05 H new ATOM 0 HB3 LYS A 36 -10.837 3.787 4.340 1.00 24.05 H new ATOM 0 HG2 LYS A 36 -12.341 2.526 5.965 1.00 24.12 H new ATOM 0 HG3 LYS A 36 -11.608 3.432 7.274 1.00 24.12 H new ATOM 0 HD2 LYS A 36 -13.648 4.574 6.804 1.00 50.13 H new ATOM 0 HD3 LYS A 36 -12.397 5.579 6.100 1.00 50.13 H new ATOM 0 HE2 LYS A 36 -14.042 3.575 4.483 1.00 30.12 H new ATOM 0 HE3 LYS A 36 -14.489 5.259 4.669 1.00 30.12 H new ATOM 0 HZ1 LYS A 36 -13.309 5.508 2.805 1.00 20.21 H new ATOM 0 HZ2 LYS A 36 -11.950 5.480 3.823 1.00 20.21 H new ATOM 0 HZ3 LYS A 36 -12.436 4.067 3.017 1.00 20.21 H new ATOM 611 N ASP A 37 -10.643 1.080 3.698 1.00 52.23 N ATOM 612 CA ASP A 37 -11.476 0.016 3.097 1.00 34.21 C ATOM 613 C ASP A 37 -10.710 -1.312 2.941 1.00 62.54 C ATOM 614 O ASP A 37 -11.332 -2.375 2.936 1.00 74.44 O ATOM 615 CB ASP A 37 -12.019 0.480 1.729 1.00 54.25 C ATOM 616 CG ASP A 37 -12.769 1.810 1.845 1.00 30.53 C ATOM 617 OD1 ASP A 37 -12.127 2.868 1.728 1.00 1.11 O ATOM 618 OD2 ASP A 37 -13.992 1.807 2.096 1.00 24.40 O ATOM 0 H ASP A 37 -10.323 1.776 3.025 1.00 52.23 H new ATOM 0 HA ASP A 37 -12.306 -0.170 3.778 1.00 34.21 H new ATOM 0 HB2 ASP A 37 -11.193 0.587 1.026 1.00 54.25 H new ATOM 0 HB3 ASP A 37 -12.686 -0.281 1.324 1.00 54.25 H new ATOM 623 N VAL A 38 -9.358 -1.235 2.833 1.00 42.20 N ATOM 624 CA VAL A 38 -8.481 -2.435 2.687 1.00 23.32 C ATOM 625 C VAL A 38 -8.714 -3.443 3.839 1.00 60.11 C ATOM 626 O VAL A 38 -8.818 -4.647 3.608 1.00 31.20 O ATOM 627 CB VAL A 38 -6.945 -2.041 2.642 1.00 33.33 C ATOM 628 CG1 VAL A 38 -6.021 -3.288 2.581 1.00 64.12 C ATOM 629 CG2 VAL A 38 -6.637 -1.081 1.467 1.00 33.22 C ATOM 0 H VAL A 38 -8.847 -0.353 2.844 1.00 42.20 H new ATOM 0 HA VAL A 38 -8.750 -2.902 1.739 1.00 23.32 H new ATOM 0 HB VAL A 38 -6.734 -1.518 3.575 1.00 33.33 H new ATOM 0 HG11 VAL A 38 -4.979 -2.968 2.552 1.00 64.12 H new ATOM 0 HG12 VAL A 38 -6.186 -3.907 3.463 1.00 64.12 H new ATOM 0 HG13 VAL A 38 -6.248 -3.866 1.685 1.00 64.12 H new ATOM 0 HG21 VAL A 38 -5.576 -0.833 1.468 1.00 33.22 H new ATOM 0 HG22 VAL A 38 -6.896 -1.564 0.525 1.00 33.22 H new ATOM 0 HG23 VAL A 38 -7.223 -0.169 1.579 1.00 33.22 H new ATOM 639 N LYS A 39 -8.838 -2.907 5.060 1.00 14.12 N ATOM 640 CA LYS A 39 -9.057 -3.699 6.288 1.00 15.53 C ATOM 641 C LYS A 39 -10.383 -4.506 6.243 1.00 61.35 C ATOM 642 O LYS A 39 -10.406 -5.691 6.587 1.00 22.12 O ATOM 643 CB LYS A 39 -9.012 -2.745 7.507 1.00 15.40 C ATOM 644 CG LYS A 39 -7.647 -2.032 7.669 1.00 44.15 C ATOM 645 CD LYS A 39 -7.597 -1.049 8.858 1.00 25.05 C ATOM 646 CE LYS A 39 -6.172 -0.536 9.134 1.00 75.44 C ATOM 647 NZ LYS A 39 -5.269 -1.624 9.594 1.00 63.31 N ATOM 0 H LYS A 39 -8.789 -1.902 5.230 1.00 14.12 H new ATOM 0 HA LYS A 39 -8.263 -4.441 6.374 1.00 15.53 H new ATOM 0 HB2 LYS A 39 -9.797 -1.996 7.404 1.00 15.40 H new ATOM 0 HB3 LYS A 39 -9.229 -3.311 8.413 1.00 15.40 H new ATOM 0 HG2 LYS A 39 -6.868 -2.783 7.797 1.00 44.15 H new ATOM 0 HG3 LYS A 39 -7.419 -1.490 6.751 1.00 44.15 H new ATOM 0 HD2 LYS A 39 -8.252 -0.202 8.654 1.00 25.05 H new ATOM 0 HD3 LYS A 39 -7.982 -1.542 9.750 1.00 25.05 H new ATOM 0 HE2 LYS A 39 -5.766 -0.087 8.228 1.00 75.44 H new ATOM 0 HE3 LYS A 39 -6.209 0.249 9.890 1.00 75.44 H new ATOM 0 HZ1 LYS A 39 -5.093 -1.521 10.614 1.00 63.31 H new ATOM 0 HZ2 LYS A 39 -5.715 -2.546 9.411 1.00 63.31 H new ATOM 0 HZ3 LYS A 39 -4.367 -1.567 9.079 1.00 63.31 H new ATOM 661 N ASP A 40 -11.466 -3.857 5.781 1.00 45.51 N ATOM 662 CA ASP A 40 -12.791 -4.509 5.597 1.00 70.34 C ATOM 663 C ASP A 40 -12.762 -5.565 4.467 1.00 45.05 C ATOM 664 O ASP A 40 -13.469 -6.573 4.529 1.00 31.32 O ATOM 665 CB ASP A 40 -13.865 -3.442 5.289 1.00 44.34 C ATOM 666 CG ASP A 40 -13.977 -2.390 6.396 1.00 72.21 C ATOM 667 OD1 ASP A 40 -13.211 -1.409 6.368 1.00 45.13 O ATOM 668 OD2 ASP A 40 -14.810 -2.554 7.314 1.00 13.02 O ATOM 0 H ASP A 40 -11.456 -2.870 5.523 1.00 45.51 H new ATOM 0 HA ASP A 40 -13.038 -5.023 6.526 1.00 70.34 H new ATOM 0 HB2 ASP A 40 -13.624 -2.950 4.347 1.00 44.34 H new ATOM 0 HB3 ASP A 40 -14.831 -3.930 5.156 1.00 44.34 H new ATOM 673 N GLU A 41 -11.938 -5.309 3.440 1.00 62.24 N ATOM 674 CA GLU A 41 -11.757 -6.226 2.291 1.00 23.20 C ATOM 675 C GLU A 41 -10.922 -7.476 2.675 1.00 22.53 C ATOM 676 O GLU A 41 -11.059 -8.541 2.067 1.00 23.54 O ATOM 677 CB GLU A 41 -11.116 -5.457 1.110 1.00 62.04 C ATOM 678 CG GLU A 41 -11.986 -4.312 0.541 1.00 73.02 C ATOM 679 CD GLU A 41 -13.253 -4.802 -0.174 1.00 12.43 C ATOM 680 OE1 GLU A 41 -13.147 -5.260 -1.333 1.00 23.12 O ATOM 681 OE2 GLU A 41 -14.352 -4.747 0.414 1.00 50.04 O ATOM 0 H GLU A 41 -11.375 -4.461 3.377 1.00 62.24 H new ATOM 0 HA GLU A 41 -12.737 -6.592 1.984 1.00 23.20 H new ATOM 0 HB2 GLU A 41 -10.162 -5.043 1.438 1.00 62.04 H new ATOM 0 HB3 GLU A 41 -10.898 -6.163 0.309 1.00 62.04 H new ATOM 0 HG2 GLU A 41 -12.272 -3.645 1.355 1.00 73.02 H new ATOM 0 HG3 GLU A 41 -11.389 -3.725 -0.157 1.00 73.02 H new ATOM 688 N LEU A 42 -10.047 -7.323 3.680 1.00 22.11 N ATOM 689 CA LEU A 42 -9.330 -8.459 4.308 1.00 55.20 C ATOM 690 C LEU A 42 -10.318 -9.371 5.092 1.00 62.04 C ATOM 691 O LEU A 42 -10.186 -10.601 5.076 1.00 41.04 O ATOM 692 CB LEU A 42 -8.205 -7.931 5.245 1.00 43.54 C ATOM 693 CG LEU A 42 -7.035 -7.166 4.535 1.00 43.24 C ATOM 694 CD1 LEU A 42 -6.171 -6.386 5.541 1.00 1.24 C ATOM 695 CD2 LEU A 42 -6.155 -8.125 3.701 1.00 1.00 C ATOM 0 H LEU A 42 -9.813 -6.416 4.084 1.00 22.11 H new ATOM 0 HA LEU A 42 -8.873 -9.059 3.520 1.00 55.20 H new ATOM 0 HB2 LEU A 42 -8.654 -7.267 5.984 1.00 43.54 H new ATOM 0 HB3 LEU A 42 -7.785 -8.776 5.790 1.00 43.54 H new ATOM 0 HG LEU A 42 -7.495 -6.447 3.857 1.00 43.24 H new ATOM 0 HD11 LEU A 42 -5.371 -5.870 5.010 1.00 1.24 H new ATOM 0 HD12 LEU A 42 -6.790 -5.657 6.063 1.00 1.24 H new ATOM 0 HD13 LEU A 42 -5.739 -7.079 6.263 1.00 1.24 H new ATOM 0 HD21 LEU A 42 -5.354 -7.561 3.223 1.00 1.00 H new ATOM 0 HD22 LEU A 42 -5.724 -8.884 4.354 1.00 1.00 H new ATOM 0 HD23 LEU A 42 -6.765 -8.607 2.937 1.00 1.00 H new ATOM 707 N GLU A 43 -11.315 -8.743 5.756 1.00 71.10 N ATOM 708 CA GLU A 43 -12.309 -9.449 6.608 1.00 31.15 C ATOM 709 C GLU A 43 -13.393 -10.196 5.782 1.00 1.04 C ATOM 710 O GLU A 43 -13.602 -11.401 5.966 1.00 32.30 O ATOM 711 CB GLU A 43 -12.995 -8.440 7.580 1.00 24.33 C ATOM 712 CG GLU A 43 -12.036 -7.707 8.539 1.00 0.21 C ATOM 713 CD GLU A 43 -11.260 -8.652 9.477 1.00 54.42 C ATOM 714 OE1 GLU A 43 -11.818 -9.058 10.519 1.00 0.40 O ATOM 715 OE2 GLU A 43 -10.089 -8.990 9.183 1.00 20.14 O ATOM 0 H GLU A 43 -11.456 -7.734 5.719 1.00 71.10 H new ATOM 0 HA GLU A 43 -11.758 -10.201 7.173 1.00 31.15 H new ATOM 0 HB2 GLU A 43 -13.532 -7.698 6.990 1.00 24.33 H new ATOM 0 HB3 GLU A 43 -13.738 -8.976 8.171 1.00 24.33 H new ATOM 0 HG2 GLU A 43 -11.324 -7.125 7.953 1.00 0.21 H new ATOM 0 HG3 GLU A 43 -12.607 -7.000 9.141 1.00 0.21 H new ATOM 722 N GLU A 44 -14.081 -9.470 4.881 1.00 15.44 N ATOM 723 CA GLU A 44 -15.294 -9.979 4.176 1.00 40.42 C ATOM 724 C GLU A 44 -15.285 -9.684 2.651 1.00 12.20 C ATOM 725 O GLU A 44 -15.848 -10.459 1.867 1.00 32.53 O ATOM 726 CB GLU A 44 -16.564 -9.363 4.827 1.00 70.31 C ATOM 727 CG GLU A 44 -16.594 -7.817 4.840 1.00 32.24 C ATOM 728 CD GLU A 44 -17.868 -7.237 5.476 1.00 45.33 C ATOM 729 OE1 GLU A 44 -18.867 -7.034 4.753 1.00 33.14 O ATOM 730 OE2 GLU A 44 -17.876 -6.994 6.703 1.00 1.41 O ATOM 0 H GLU A 44 -13.822 -8.520 4.616 1.00 15.44 H new ATOM 0 HA GLU A 44 -15.296 -11.064 4.282 1.00 40.42 H new ATOM 0 HB2 GLU A 44 -17.442 -9.726 4.294 1.00 70.31 H new ATOM 0 HB3 GLU A 44 -16.642 -9.724 5.853 1.00 70.31 H new ATOM 0 HG2 GLU A 44 -15.725 -7.449 5.385 1.00 32.24 H new ATOM 0 HG3 GLU A 44 -16.508 -7.451 3.817 1.00 32.24 H new ATOM 737 N GLY A 45 -14.679 -8.553 2.241 1.00 13.34 N ATOM 738 CA GLY A 45 -14.619 -8.171 0.814 1.00 25.23 C ATOM 739 C GLY A 45 -13.511 -8.893 0.032 1.00 4.10 C ATOM 740 O GLY A 45 -13.080 -9.981 0.419 1.00 34.53 O ATOM 0 H GLY A 45 -14.227 -7.891 2.872 1.00 13.34 H new ATOM 0 HA2 GLY A 45 -15.581 -8.386 0.348 1.00 25.23 H new ATOM 0 HA3 GLY A 45 -14.462 -7.095 0.740 1.00 25.23 H new ATOM 744 N ASP A 46 -13.054 -8.287 -1.077 1.00 42.31 N ATOM 745 CA ASP A 46 -11.945 -8.824 -1.895 1.00 15.51 C ATOM 746 C ASP A 46 -10.645 -8.024 -1.644 1.00 21.21 C ATOM 747 O ASP A 46 -10.495 -6.886 -2.105 1.00 63.44 O ATOM 748 CB ASP A 46 -12.317 -8.809 -3.398 1.00 63.03 C ATOM 749 CG ASP A 46 -11.160 -9.281 -4.300 1.00 74.11 C ATOM 750 OD1 ASP A 46 -10.668 -10.410 -4.108 1.00 13.13 O ATOM 751 OD2 ASP A 46 -10.738 -8.529 -5.196 1.00 12.25 O ATOM 0 H ASP A 46 -13.440 -7.413 -1.434 1.00 42.31 H new ATOM 0 HA ASP A 46 -11.771 -9.858 -1.598 1.00 15.51 H new ATOM 0 HB2 ASP A 46 -13.184 -9.450 -3.560 1.00 63.03 H new ATOM 0 HB3 ASP A 46 -12.609 -7.799 -3.686 1.00 63.03 H new ATOM 756 N ALA A 47 -9.714 -8.631 -0.900 1.00 72.55 N ATOM 757 CA ALA A 47 -8.408 -8.023 -0.583 1.00 41.13 C ATOM 758 C ALA A 47 -7.474 -7.947 -1.816 1.00 35.43 C ATOM 759 O ALA A 47 -6.699 -7.002 -1.934 1.00 71.35 O ATOM 760 CB ALA A 47 -7.738 -8.814 0.541 1.00 42.22 C ATOM 0 H ALA A 47 -9.841 -9.560 -0.498 1.00 72.55 H new ATOM 0 HA ALA A 47 -8.590 -6.997 -0.262 1.00 41.13 H new ATOM 0 HB1 ALA A 47 -6.773 -8.366 0.776 1.00 42.22 H new ATOM 0 HB2 ALA A 47 -8.372 -8.795 1.427 1.00 42.22 H new ATOM 0 HB3 ALA A 47 -7.591 -9.846 0.222 1.00 42.22 H new ATOM 766 N LYS A 48 -7.584 -8.939 -2.733 1.00 21.30 N ATOM 767 CA LYS A 48 -6.673 -9.092 -3.904 1.00 13.13 C ATOM 768 C LYS A 48 -6.586 -7.806 -4.764 1.00 1.24 C ATOM 769 O LYS A 48 -5.494 -7.263 -4.978 1.00 44.11 O ATOM 770 CB LYS A 48 -7.135 -10.279 -4.793 1.00 72.20 C ATOM 771 CG LYS A 48 -6.271 -10.496 -6.064 1.00 4.14 C ATOM 772 CD LYS A 48 -6.844 -11.576 -7.009 1.00 70.13 C ATOM 773 CE LYS A 48 -6.046 -11.693 -8.319 1.00 51.34 C ATOM 774 NZ LYS A 48 -6.647 -12.667 -9.268 1.00 63.10 N ATOM 0 H LYS A 48 -8.306 -9.658 -2.685 1.00 21.30 H new ATOM 0 HA LYS A 48 -5.678 -9.289 -3.504 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -7.120 -11.192 -4.197 1.00 72.20 H new ATOM 0 HB3 LYS A 48 -8.169 -10.112 -5.094 1.00 72.20 H new ATOM 0 HG2 LYS A 48 -6.189 -9.554 -6.606 1.00 4.14 H new ATOM 0 HG3 LYS A 48 -5.262 -10.781 -5.766 1.00 4.14 H new ATOM 0 HD2 LYS A 48 -6.842 -12.539 -6.499 1.00 70.13 H new ATOM 0 HD3 LYS A 48 -7.883 -11.339 -7.239 1.00 70.13 H new ATOM 0 HE2 LYS A 48 -5.990 -10.714 -8.795 1.00 51.34 H new ATOM 0 HE3 LYS A 48 -5.024 -11.996 -8.092 1.00 51.34 H new ATOM 0 HZ1 LYS A 48 -6.072 -12.708 -10.134 1.00 63.10 H new ATOM 0 HZ2 LYS A 48 -6.677 -13.608 -8.827 1.00 63.10 H new ATOM 0 HZ3 LYS A 48 -7.613 -12.367 -9.508 1.00 63.10 H new ATOM 788 N ASN A 49 -7.756 -7.330 -5.232 1.00 20.23 N ATOM 789 CA ASN A 49 -7.871 -6.099 -6.049 1.00 31.43 C ATOM 790 C ASN A 49 -7.323 -4.864 -5.298 1.00 41.00 C ATOM 791 O ASN A 49 -6.701 -4.002 -5.899 1.00 34.22 O ATOM 792 CB ASN A 49 -9.355 -5.875 -6.437 1.00 21.13 C ATOM 793 CG ASN A 49 -9.622 -4.636 -7.301 1.00 12.54 C ATOM 794 OD1 ASN A 49 -8.801 -4.223 -8.106 1.00 31.33 O ATOM 795 ND2 ASN A 49 -10.785 -4.038 -7.141 1.00 4.14 N ATOM 0 H ASN A 49 -8.651 -7.786 -5.056 1.00 20.23 H new ATOM 0 HA ASN A 49 -7.270 -6.228 -6.949 1.00 31.43 H new ATOM 0 HB2 ASN A 49 -9.711 -6.755 -6.972 1.00 21.13 H new ATOM 0 HB3 ASN A 49 -9.945 -5.796 -5.524 1.00 21.13 H new ATOM 0 HD21 ASN A 49 -11.015 -3.213 -7.695 1.00 4.14 H new ATOM 0 HD22 ASN A 49 -11.456 -4.400 -6.463 1.00 4.14 H new ATOM 802 N MET A 50 -7.560 -4.820 -3.974 1.00 62.32 N ATOM 803 CA MET A 50 -7.135 -3.699 -3.099 1.00 61.31 C ATOM 804 C MET A 50 -5.600 -3.581 -2.992 1.00 11.14 C ATOM 805 O MET A 50 -5.065 -2.478 -2.982 1.00 41.51 O ATOM 806 CB MET A 50 -7.744 -3.871 -1.693 1.00 22.02 C ATOM 807 CG MET A 50 -9.267 -3.894 -1.696 1.00 24.10 C ATOM 808 SD MET A 50 -9.996 -2.320 -2.203 1.00 21.04 S ATOM 809 CE MET A 50 -9.517 -1.256 -0.841 1.00 23.02 C ATOM 0 H MET A 50 -8.053 -5.560 -3.474 1.00 62.32 H new ATOM 0 HA MET A 50 -7.500 -2.779 -3.555 1.00 61.31 H new ATOM 0 HB2 MET A 50 -7.374 -4.798 -1.255 1.00 22.02 H new ATOM 0 HB3 MET A 50 -7.401 -3.058 -1.054 1.00 22.02 H new ATOM 0 HG2 MET A 50 -9.612 -4.681 -2.367 1.00 24.10 H new ATOM 0 HG3 MET A 50 -9.623 -4.148 -0.698 1.00 24.10 H new ATOM 0 HE1 MET A 50 -10.142 -0.363 -0.840 1.00 23.02 H new ATOM 0 HE2 MET A 50 -9.645 -1.790 0.100 1.00 23.02 H new ATOM 0 HE3 MET A 50 -8.472 -0.967 -0.955 1.00 23.02 H new ATOM 819 N ILE A 51 -4.920 -4.730 -2.910 1.00 23.13 N ATOM 820 CA ILE A 51 -3.443 -4.807 -2.818 1.00 4.25 C ATOM 821 C ILE A 51 -2.783 -4.388 -4.158 1.00 2.12 C ATOM 822 O ILE A 51 -1.855 -3.560 -4.190 1.00 44.13 O ATOM 823 CB ILE A 51 -3.011 -6.272 -2.425 1.00 42.42 C ATOM 824 CG1 ILE A 51 -3.672 -6.680 -1.065 1.00 54.04 C ATOM 825 CG2 ILE A 51 -1.467 -6.439 -2.368 1.00 15.10 C ATOM 826 CD1 ILE A 51 -3.525 -8.143 -0.698 1.00 41.24 C ATOM 0 H ILE A 51 -5.375 -5.643 -2.905 1.00 23.13 H new ATOM 0 HA ILE A 51 -3.104 -4.115 -2.047 1.00 4.25 H new ATOM 0 HB ILE A 51 -3.366 -6.942 -3.208 1.00 42.42 H new ATOM 0 HG12 ILE A 51 -3.236 -6.075 -0.270 1.00 54.04 H new ATOM 0 HG13 ILE A 51 -4.733 -6.435 -1.106 1.00 54.04 H new ATOM 0 HG21 ILE A 51 -1.222 -7.465 -2.093 1.00 15.10 H new ATOM 0 HG22 ILE A 51 -1.040 -6.213 -3.345 1.00 15.10 H new ATOM 0 HG23 ILE A 51 -1.054 -5.756 -1.625 1.00 15.10 H new ATOM 0 HD11 ILE A 51 -4.014 -8.329 0.258 1.00 41.24 H new ATOM 0 HD12 ILE A 51 -3.988 -8.760 -1.468 1.00 41.24 H new ATOM 0 HD13 ILE A 51 -2.467 -8.394 -0.619 1.00 41.24 H new ATOM 838 N GLU A 52 -3.300 -4.957 -5.262 1.00 1.24 N ATOM 839 CA GLU A 52 -2.782 -4.702 -6.624 1.00 21.00 C ATOM 840 C GLU A 52 -3.110 -3.264 -7.114 1.00 21.30 C ATOM 841 O GLU A 52 -2.324 -2.666 -7.865 1.00 43.35 O ATOM 842 CB GLU A 52 -3.320 -5.776 -7.618 1.00 15.34 C ATOM 843 CG GLU A 52 -2.910 -7.228 -7.246 1.00 64.15 C ATOM 844 CD GLU A 52 -3.242 -8.276 -8.330 1.00 10.32 C ATOM 845 OE1 GLU A 52 -4.415 -8.694 -8.429 1.00 34.43 O ATOM 846 OE2 GLU A 52 -2.335 -8.677 -9.100 1.00 23.22 O ATOM 0 H GLU A 52 -4.087 -5.606 -5.238 1.00 1.24 H new ATOM 0 HA GLU A 52 -1.695 -4.779 -6.586 1.00 21.00 H new ATOM 0 HB2 GLU A 52 -4.408 -5.713 -7.655 1.00 15.34 H new ATOM 0 HB3 GLU A 52 -2.953 -5.549 -8.619 1.00 15.34 H new ATOM 0 HG2 GLU A 52 -1.838 -7.252 -7.049 1.00 64.15 H new ATOM 0 HG3 GLU A 52 -3.410 -7.509 -6.319 1.00 64.15 H new ATOM 853 N LYS A 53 -4.270 -2.707 -6.686 1.00 52.14 N ATOM 854 CA LYS A 53 -4.647 -1.305 -7.031 1.00 30.50 C ATOM 855 C LYS A 53 -3.884 -0.295 -6.153 1.00 41.54 C ATOM 856 O LYS A 53 -3.552 0.784 -6.621 1.00 60.33 O ATOM 857 CB LYS A 53 -6.179 -1.020 -6.952 1.00 73.41 C ATOM 858 CG LYS A 53 -6.766 -0.855 -5.527 1.00 52.41 C ATOM 859 CD LYS A 53 -8.170 -0.221 -5.534 1.00 20.52 C ATOM 860 CE LYS A 53 -9.208 -1.038 -6.326 1.00 24.33 C ATOM 861 NZ LYS A 53 -10.509 -0.327 -6.434 1.00 24.05 N ATOM 0 H LYS A 53 -4.955 -3.195 -6.109 1.00 52.14 H new ATOM 0 HA LYS A 53 -4.360 -1.181 -8.075 1.00 30.50 H new ATOM 0 HB2 LYS A 53 -6.389 -0.112 -7.518 1.00 73.41 H new ATOM 0 HB3 LYS A 53 -6.706 -1.834 -7.449 1.00 73.41 H new ATOM 0 HG2 LYS A 53 -6.814 -1.830 -5.043 1.00 52.41 H new ATOM 0 HG3 LYS A 53 -6.095 -0.236 -4.931 1.00 52.41 H new ATOM 0 HD2 LYS A 53 -8.515 -0.109 -4.506 1.00 20.52 H new ATOM 0 HD3 LYS A 53 -8.106 0.780 -5.960 1.00 20.52 H new ATOM 0 HE2 LYS A 53 -8.823 -1.243 -7.325 1.00 24.33 H new ATOM 0 HE3 LYS A 53 -9.360 -2.001 -5.839 1.00 24.33 H new ATOM 0 HZ1 LYS A 53 -11.180 -0.910 -6.974 1.00 24.05 H new ATOM 0 HZ2 LYS A 53 -10.890 -0.153 -5.482 1.00 24.05 H new ATOM 0 HZ3 LYS A 53 -10.369 0.581 -6.922 1.00 24.05 H new ATOM 875 N PHE A 54 -3.626 -0.655 -4.873 1.00 24.21 N ATOM 876 CA PHE A 54 -2.843 0.194 -3.937 1.00 22.10 C ATOM 877 C PHE A 54 -1.414 0.401 -4.476 1.00 53.21 C ATOM 878 O PHE A 54 -0.822 1.469 -4.307 1.00 70.20 O ATOM 879 CB PHE A 54 -2.800 -0.435 -2.512 1.00 71.24 C ATOM 880 CG PHE A 54 -2.091 0.434 -1.460 1.00 54.12 C ATOM 881 CD1 PHE A 54 -2.779 1.457 -0.804 1.00 50.12 C ATOM 882 CD2 PHE A 54 -0.740 0.255 -1.160 1.00 61.32 C ATOM 883 CE1 PHE A 54 -2.142 2.266 0.118 1.00 51.44 C ATOM 884 CE2 PHE A 54 -0.104 1.069 -0.245 1.00 52.42 C ATOM 885 CZ PHE A 54 -0.804 2.073 0.392 1.00 2.30 C ATOM 0 H PHE A 54 -3.949 -1.531 -4.462 1.00 24.21 H new ATOM 0 HA PHE A 54 -3.337 1.163 -3.862 1.00 22.10 H new ATOM 0 HB2 PHE A 54 -3.821 -0.626 -2.181 1.00 71.24 H new ATOM 0 HB3 PHE A 54 -2.297 -1.400 -2.568 1.00 71.24 H new ATOM 0 HD1 PHE A 54 -3.825 1.618 -1.020 1.00 50.12 H new ATOM 0 HD2 PHE A 54 -0.185 -0.531 -1.650 1.00 61.32 H new ATOM 0 HE1 PHE A 54 -2.691 3.047 0.623 1.00 51.44 H new ATOM 0 HE2 PHE A 54 0.943 0.920 -0.027 1.00 52.42 H new ATOM 0 HZ PHE A 54 -0.303 2.709 1.107 1.00 2.30 H new ATOM 895 N ARG A 55 -0.886 -0.653 -5.123 1.00 31.52 N ATOM 896 CA ARG A 55 0.409 -0.609 -5.825 1.00 72.31 C ATOM 897 C ARG A 55 0.373 0.428 -6.978 1.00 42.31 C ATOM 898 O ARG A 55 1.319 1.188 -7.160 1.00 54.15 O ATOM 899 CB ARG A 55 0.775 -2.036 -6.357 1.00 61.12 C ATOM 900 CG ARG A 55 2.175 -2.172 -7.040 1.00 14.21 C ATOM 901 CD ARG A 55 2.161 -1.892 -8.560 1.00 12.34 C ATOM 902 NE ARG A 55 3.512 -1.662 -9.098 1.00 73.34 N ATOM 903 CZ ARG A 55 4.338 -2.581 -9.538 1.00 33.13 C ATOM 904 NH1 ARG A 55 4.040 -3.847 -9.506 1.00 64.04 N ATOM 905 NH2 ARG A 55 5.473 -2.215 -10.040 1.00 24.33 N ATOM 0 H ARG A 55 -1.347 -1.562 -5.174 1.00 31.52 H new ATOM 0 HA ARG A 55 1.182 -0.294 -5.124 1.00 72.31 H new ATOM 0 HB2 ARG A 55 0.730 -2.736 -5.523 1.00 61.12 H new ATOM 0 HB3 ARG A 55 0.012 -2.343 -7.072 1.00 61.12 H new ATOM 0 HG2 ARG A 55 2.871 -1.484 -6.560 1.00 14.21 H new ATOM 0 HG3 ARG A 55 2.555 -3.179 -6.870 1.00 14.21 H new ATOM 0 HD2 ARG A 55 1.705 -2.735 -9.078 1.00 12.34 H new ATOM 0 HD3 ARG A 55 1.539 -1.020 -8.761 1.00 12.34 H new ATOM 0 HE ARG A 55 3.837 -0.696 -9.132 1.00 73.34 H new ATOM 0 HH11 ARG A 55 3.141 -4.150 -9.131 1.00 64.04 H new ATOM 0 HH12 ARG A 55 4.705 -4.536 -9.856 1.00 64.04 H new ATOM 0 HH21 ARG A 55 5.714 -1.225 -10.089 1.00 24.33 H new ATOM 0 HH22 ARG A 55 6.127 -2.917 -10.387 1.00 24.33 H new ATOM 919 N ASP A 56 -0.740 0.432 -7.748 1.00 23.12 N ATOM 920 CA ASP A 56 -0.933 1.345 -8.903 1.00 21.20 C ATOM 921 C ASP A 56 -1.056 2.821 -8.432 1.00 20.31 C ATOM 922 O ASP A 56 -0.473 3.731 -9.027 1.00 41.12 O ATOM 923 CB ASP A 56 -2.195 0.904 -9.694 1.00 61.11 C ATOM 924 CG ASP A 56 -2.450 1.737 -10.964 1.00 73.33 C ATOM 925 OD1 ASP A 56 -1.809 1.468 -12.007 1.00 32.22 O ATOM 926 OD2 ASP A 56 -3.295 2.655 -10.934 1.00 3.25 O ATOM 0 H ASP A 56 -1.528 -0.195 -7.588 1.00 23.12 H new ATOM 0 HA ASP A 56 -0.062 1.287 -9.556 1.00 21.20 H new ATOM 0 HB2 ASP A 56 -2.091 -0.145 -9.972 1.00 61.11 H new ATOM 0 HB3 ASP A 56 -3.066 0.976 -9.042 1.00 61.11 H new ATOM 931 N GLU A 57 -1.815 3.019 -7.342 1.00 5.44 N ATOM 932 CA GLU A 57 -2.016 4.335 -6.698 1.00 40.12 C ATOM 933 C GLU A 57 -0.691 4.892 -6.143 1.00 23.31 C ATOM 934 O GLU A 57 -0.369 6.067 -6.341 1.00 61.32 O ATOM 935 CB GLU A 57 -3.064 4.207 -5.556 1.00 54.21 C ATOM 936 CG GLU A 57 -4.470 3.785 -6.029 1.00 51.33 C ATOM 937 CD GLU A 57 -5.113 4.808 -6.972 1.00 0.14 C ATOM 938 OE1 GLU A 57 -5.562 5.857 -6.483 1.00 63.45 O ATOM 939 OE2 GLU A 57 -5.165 4.575 -8.202 1.00 42.14 O ATOM 0 H GLU A 57 -2.314 2.262 -6.874 1.00 5.44 H new ATOM 0 HA GLU A 57 -2.384 5.032 -7.451 1.00 40.12 H new ATOM 0 HB2 GLU A 57 -2.704 3.479 -4.829 1.00 54.21 H new ATOM 0 HB3 GLU A 57 -3.139 5.164 -5.039 1.00 54.21 H new ATOM 0 HG2 GLU A 57 -4.404 2.822 -6.536 1.00 51.33 H new ATOM 0 HG3 GLU A 57 -5.113 3.644 -5.160 1.00 51.33 H new ATOM 946 N MET A 58 0.067 4.030 -5.440 1.00 21.22 N ATOM 947 CA MET A 58 1.400 4.378 -4.913 1.00 4.13 C ATOM 948 C MET A 58 2.418 4.667 -6.019 1.00 21.45 C ATOM 949 O MET A 58 3.266 5.528 -5.842 1.00 25.22 O ATOM 950 CB MET A 58 1.947 3.281 -3.970 1.00 44.00 C ATOM 951 CG MET A 58 1.433 3.365 -2.528 1.00 20.35 C ATOM 952 SD MET A 58 2.702 2.869 -1.348 1.00 54.31 S ATOM 953 CE MET A 58 3.979 4.085 -1.686 1.00 45.25 C ATOM 0 H MET A 58 -0.225 3.077 -5.222 1.00 21.22 H new ATOM 0 HA MET A 58 1.260 5.296 -4.342 1.00 4.13 H new ATOM 0 HB2 MET A 58 1.685 2.305 -4.379 1.00 44.00 H new ATOM 0 HB3 MET A 58 3.035 3.340 -3.958 1.00 44.00 H new ATOM 0 HG2 MET A 58 1.113 4.384 -2.313 1.00 20.35 H new ATOM 0 HG3 MET A 58 0.558 2.725 -2.414 1.00 20.35 H new ATOM 0 HE1 MET A 58 4.873 3.581 -2.054 1.00 45.25 H new ATOM 0 HE2 MET A 58 3.622 4.787 -2.440 1.00 45.25 H new ATOM 0 HE3 MET A 58 4.218 4.626 -0.770 1.00 45.25 H new ATOM 963 N GLU A 59 2.342 3.932 -7.135 1.00 2.20 N ATOM 964 CA GLU A 59 3.245 4.139 -8.285 1.00 3.34 C ATOM 965 C GLU A 59 2.943 5.490 -8.978 1.00 11.10 C ATOM 966 O GLU A 59 3.840 6.130 -9.516 1.00 3.32 O ATOM 967 CB GLU A 59 3.137 2.957 -9.278 1.00 22.42 C ATOM 968 CG GLU A 59 4.226 2.941 -10.374 1.00 32.33 C ATOM 969 CD GLU A 59 4.188 1.671 -11.234 1.00 1.20 C ATOM 970 OE1 GLU A 59 4.572 0.592 -10.729 1.00 11.21 O ATOM 971 OE2 GLU A 59 3.759 1.734 -12.407 1.00 41.31 O ATOM 0 H GLU A 59 1.662 3.184 -7.271 1.00 2.20 H new ATOM 0 HA GLU A 59 4.272 4.176 -7.921 1.00 3.34 H new ATOM 0 HB2 GLU A 59 3.188 2.023 -8.719 1.00 22.42 H new ATOM 0 HB3 GLU A 59 2.158 2.989 -9.756 1.00 22.42 H new ATOM 0 HG2 GLU A 59 4.101 3.813 -11.016 1.00 32.33 H new ATOM 0 HG3 GLU A 59 5.207 3.028 -9.906 1.00 32.33 H new ATOM 978 N GLN A 60 1.662 5.905 -8.930 1.00 71.00 N ATOM 979 CA GLN A 60 1.207 7.235 -9.397 1.00 21.42 C ATOM 980 C GLN A 60 1.784 8.359 -8.497 1.00 44.24 C ATOM 981 O GLN A 60 2.393 9.307 -8.994 1.00 71.03 O ATOM 982 CB GLN A 60 -0.361 7.250 -9.434 1.00 10.14 C ATOM 983 CG GLN A 60 -1.050 8.564 -9.911 1.00 62.45 C ATOM 984 CD GLN A 60 -1.301 9.593 -8.785 1.00 75.12 C ATOM 985 OE1 GLN A 60 -0.488 10.476 -8.527 1.00 3.41 O ATOM 986 NE2 GLN A 60 -2.430 9.494 -8.112 1.00 71.22 N ATOM 0 H GLN A 60 0.907 5.325 -8.564 1.00 71.00 H new ATOM 0 HA GLN A 60 1.577 7.424 -10.405 1.00 21.42 H new ATOM 0 HB2 GLN A 60 -0.691 6.440 -10.085 1.00 10.14 H new ATOM 0 HB3 GLN A 60 -0.725 7.022 -8.432 1.00 10.14 H new ATOM 0 HG2 GLN A 60 -0.431 9.027 -10.680 1.00 62.45 H new ATOM 0 HG3 GLN A 60 -2.003 8.313 -10.377 1.00 62.45 H new ATOM 0 HE21 GLN A 60 -3.095 8.755 -8.338 1.00 71.22 H new ATOM 0 HE22 GLN A 60 -2.638 10.157 -7.365 1.00 71.22 H new ATOM 995 N MET A 61 1.592 8.220 -7.169 1.00 72.52 N ATOM 996 CA MET A 61 2.047 9.220 -6.160 1.00 32.33 C ATOM 997 C MET A 61 3.591 9.237 -5.989 1.00 64.12 C ATOM 998 O MET A 61 4.155 10.224 -5.514 1.00 5.12 O ATOM 999 CB MET A 61 1.359 8.949 -4.798 1.00 11.04 C ATOM 1000 CG MET A 61 -0.175 9.078 -4.823 1.00 22.00 C ATOM 1001 SD MET A 61 -0.944 8.645 -3.246 1.00 14.41 S ATOM 1002 CE MET A 61 -0.503 6.916 -3.089 1.00 75.11 C ATOM 0 H MET A 61 1.119 7.415 -6.758 1.00 72.52 H new ATOM 0 HA MET A 61 1.758 10.204 -6.529 1.00 32.33 H new ATOM 0 HB2 MET A 61 1.622 7.945 -4.466 1.00 11.04 H new ATOM 0 HB3 MET A 61 1.758 9.644 -4.059 1.00 11.04 H new ATOM 0 HG2 MET A 61 -0.444 10.102 -5.084 1.00 22.00 H new ATOM 0 HG3 MET A 61 -0.576 8.434 -5.606 1.00 22.00 H new ATOM 0 HE1 MET A 61 -1.355 6.357 -2.704 1.00 75.11 H new ATOM 0 HE2 MET A 61 -0.222 6.522 -4.066 1.00 75.11 H new ATOM 0 HE3 MET A 61 0.337 6.816 -2.402 1.00 75.11 H new ATOM 1012 N TYR A 62 4.241 8.116 -6.339 1.00 61.42 N ATOM 1013 CA TYR A 62 5.716 8.001 -6.408 1.00 11.51 C ATOM 1014 C TYR A 62 6.241 8.701 -7.676 1.00 63.41 C ATOM 1015 O TYR A 62 7.243 9.405 -7.642 1.00 22.03 O ATOM 1016 CB TYR A 62 6.139 6.501 -6.386 1.00 11.33 C ATOM 1017 CG TYR A 62 7.613 6.229 -6.741 1.00 70.44 C ATOM 1018 CD1 TYR A 62 8.647 6.615 -5.886 1.00 0.34 C ATOM 1019 CD2 TYR A 62 7.962 5.618 -7.952 1.00 11.51 C ATOM 1020 CE1 TYR A 62 9.966 6.391 -6.218 1.00 42.40 C ATOM 1021 CE2 TYR A 62 9.281 5.390 -8.279 1.00 74.23 C ATOM 1022 CZ TYR A 62 10.277 5.784 -7.414 1.00 63.14 C ATOM 1023 OH TYR A 62 11.592 5.571 -7.745 1.00 65.11 O ATOM 0 H TYR A 62 3.757 7.252 -6.585 1.00 61.42 H new ATOM 0 HA TYR A 62 6.154 8.492 -5.539 1.00 11.51 H new ATOM 0 HB2 TYR A 62 5.941 6.099 -5.392 1.00 11.33 H new ATOM 0 HB3 TYR A 62 5.507 5.952 -7.084 1.00 11.33 H new ATOM 0 HD1 TYR A 62 8.410 7.097 -4.949 1.00 0.34 H new ATOM 0 HD2 TYR A 62 7.185 5.321 -8.641 1.00 11.51 H new ATOM 0 HE1 TYR A 62 10.753 6.691 -5.542 1.00 42.40 H new ATOM 0 HE2 TYR A 62 9.533 4.904 -9.210 1.00 74.23 H new ATOM 0 HH TYR A 62 11.979 4.906 -7.138 1.00 65.11 H new ATOM 1033 N LYS A 63 5.544 8.475 -8.795 1.00 22.15 N ATOM 1034 CA LYS A 63 5.874 9.103 -10.093 1.00 75.44 C ATOM 1035 C LYS A 63 5.711 10.646 -10.023 1.00 41.41 C ATOM 1036 O LYS A 63 6.489 11.400 -10.620 1.00 62.03 O ATOM 1037 CB LYS A 63 4.973 8.502 -11.206 1.00 51.52 C ATOM 1038 CG LYS A 63 5.285 8.996 -12.631 1.00 22.14 C ATOM 1039 CD LYS A 63 4.327 8.397 -13.693 1.00 24.21 C ATOM 1040 CE LYS A 63 4.560 8.979 -15.093 1.00 33.31 C ATOM 1041 NZ LYS A 63 4.379 10.453 -15.116 1.00 13.11 N ATOM 0 H LYS A 63 4.736 7.854 -8.834 1.00 22.15 H new ATOM 0 HA LYS A 63 6.917 8.894 -10.330 1.00 75.44 H new ATOM 0 HB2 LYS A 63 5.069 7.416 -11.184 1.00 51.52 H new ATOM 0 HB3 LYS A 63 3.933 8.734 -10.976 1.00 51.52 H new ATOM 0 HG2 LYS A 63 5.217 10.084 -12.658 1.00 22.14 H new ATOM 0 HG3 LYS A 63 6.312 8.735 -12.885 1.00 22.14 H new ATOM 0 HD2 LYS A 63 4.459 7.315 -13.727 1.00 24.21 H new ATOM 0 HD3 LYS A 63 3.296 8.583 -13.393 1.00 24.21 H new ATOM 0 HE2 LYS A 63 5.568 8.732 -15.426 1.00 33.31 H new ATOM 0 HE3 LYS A 63 3.869 8.517 -15.798 1.00 33.31 H new ATOM 0 HZ1 LYS A 63 4.326 10.781 -16.102 1.00 13.11 H new ATOM 0 HZ2 LYS A 63 3.500 10.703 -14.620 1.00 13.11 H new ATOM 0 HZ3 LYS A 63 5.185 10.909 -14.642 1.00 13.11 H new ATOM 1055 N ASP A 64 4.703 11.088 -9.251 1.00 52.43 N ATOM 1056 CA ASP A 64 4.368 12.515 -9.072 1.00 3.23 C ATOM 1057 C ASP A 64 5.271 13.183 -7.993 1.00 34.20 C ATOM 1058 O ASP A 64 5.768 14.298 -8.186 1.00 72.51 O ATOM 1059 CB ASP A 64 2.872 12.644 -8.688 1.00 25.25 C ATOM 1060 CG ASP A 64 2.363 14.090 -8.777 1.00 32.13 C ATOM 1061 OD1 ASP A 64 2.011 14.532 -9.896 1.00 41.23 O ATOM 1062 OD2 ASP A 64 2.344 14.802 -7.751 1.00 40.10 O ATOM 0 H ASP A 64 4.092 10.461 -8.728 1.00 52.43 H new ATOM 0 HA ASP A 64 4.550 13.036 -10.012 1.00 3.23 H new ATOM 0 HB2 ASP A 64 2.276 12.012 -9.346 1.00 25.25 H new ATOM 0 HB3 ASP A 64 2.728 12.274 -7.673 1.00 25.25 H new ATOM 1067 N ALA A 65 5.473 12.479 -6.859 1.00 51.13 N ATOM 1068 CA ALA A 65 6.261 12.981 -5.702 1.00 34.44 C ATOM 1069 C ALA A 65 7.184 11.865 -5.110 1.00 31.25 C ATOM 1070 O ALA A 65 6.833 11.216 -4.110 1.00 73.21 O ATOM 1071 CB ALA A 65 5.311 13.558 -4.628 1.00 43.02 C ATOM 0 H ALA A 65 5.095 11.543 -6.715 1.00 51.13 H new ATOM 0 HA ALA A 65 6.915 13.780 -6.050 1.00 34.44 H new ATOM 0 HB1 ALA A 65 5.896 13.924 -3.784 1.00 43.02 H new ATOM 0 HB2 ALA A 65 4.736 14.380 -5.055 1.00 43.02 H new ATOM 0 HB3 ALA A 65 4.630 12.778 -4.287 1.00 43.02 H new ATOM 1077 N PRO A 66 8.368 11.585 -5.757 1.00 73.20 N ATOM 1078 CA PRO A 66 9.353 10.596 -5.253 1.00 52.13 C ATOM 1079 C PRO A 66 10.302 11.189 -4.174 1.00 44.41 C ATOM 1080 O PRO A 66 11.201 11.978 -4.485 1.00 1.42 O ATOM 1081 CB PRO A 66 10.115 10.199 -6.547 1.00 44.03 C ATOM 1082 CG PRO A 66 10.101 11.441 -7.393 1.00 12.25 C ATOM 1083 CD PRO A 66 8.819 12.189 -7.048 1.00 43.03 C ATOM 0 HA PRO A 66 8.887 9.752 -4.743 1.00 52.13 H new ATOM 0 HB2 PRO A 66 11.134 9.882 -6.325 1.00 44.03 H new ATOM 0 HB3 PRO A 66 9.626 9.368 -7.055 1.00 44.03 H new ATOM 0 HG2 PRO A 66 10.976 12.058 -7.190 1.00 12.25 H new ATOM 0 HG3 PRO A 66 10.129 11.188 -8.453 1.00 12.25 H new ATOM 0 HD2 PRO A 66 9.000 13.259 -6.944 1.00 43.03 H new ATOM 0 HD3 PRO A 66 8.067 12.067 -7.827 1.00 43.03 H new ATOM 1091 N ASN A 67 10.072 10.837 -2.895 1.00 24.45 N ATOM 1092 CA ASN A 67 10.988 11.215 -1.790 1.00 62.13 C ATOM 1093 C ASN A 67 12.265 10.317 -1.792 1.00 62.32 C ATOM 1094 O ASN A 67 13.278 10.700 -2.386 1.00 25.30 O ATOM 1095 CB ASN A 67 10.245 11.247 -0.408 1.00 5.42 C ATOM 1096 CG ASN A 67 9.267 10.089 -0.183 1.00 3.11 C ATOM 1097 OD1 ASN A 67 9.638 9.027 0.292 1.00 22.11 O ATOM 1098 ND2 ASN A 67 8.008 10.287 -0.526 1.00 52.14 N ATOM 0 H ASN A 67 9.263 10.293 -2.597 1.00 24.45 H new ATOM 0 HA ASN A 67 11.332 12.235 -1.960 1.00 62.13 H new ATOM 0 HB2 ASN A 67 10.988 11.238 0.389 1.00 5.42 H new ATOM 0 HB3 ASN A 67 9.700 12.187 -0.325 1.00 5.42 H new ATOM 0 HD21 ASN A 67 7.321 9.544 -0.396 1.00 52.14 H new ATOM 0 HD22 ASN A 67 7.722 11.183 -0.921 1.00 52.14 H new ATOM 1105 N ALA A 68 12.193 9.114 -1.188 1.00 44.11 N ATOM 1106 CA ALA A 68 13.305 8.127 -1.162 1.00 52.32 C ATOM 1107 C ALA A 68 12.790 6.760 -0.660 1.00 43.33 C ATOM 1108 O ALA A 68 12.921 5.740 -1.356 1.00 33.20 O ATOM 1109 CB ALA A 68 14.482 8.620 -0.298 1.00 51.11 C ATOM 0 H ALA A 68 11.358 8.792 -0.699 1.00 44.11 H new ATOM 0 HA ALA A 68 13.677 8.011 -2.180 1.00 52.32 H new ATOM 0 HB1 ALA A 68 15.275 7.872 -0.303 1.00 51.11 H new ATOM 0 HB2 ALA A 68 14.864 9.557 -0.704 1.00 51.11 H new ATOM 0 HB3 ALA A 68 14.141 8.780 0.725 1.00 51.11 H new ATOM 1115 N VAL A 69 12.185 6.759 0.553 1.00 40.01 N ATOM 1116 CA VAL A 69 11.527 5.560 1.129 1.00 52.23 C ATOM 1117 C VAL A 69 10.334 5.093 0.253 1.00 71.13 C ATOM 1118 O VAL A 69 10.035 3.903 0.204 1.00 54.32 O ATOM 1119 CB VAL A 69 11.053 5.814 2.618 1.00 50.21 C ATOM 1120 CG1 VAL A 69 10.012 6.959 2.710 1.00 23.53 C ATOM 1121 CG2 VAL A 69 10.517 4.515 3.284 1.00 21.03 C ATOM 0 H VAL A 69 12.139 7.581 1.155 1.00 40.01 H new ATOM 0 HA VAL A 69 12.272 4.764 1.143 1.00 52.23 H new ATOM 0 HB VAL A 69 11.935 6.130 3.175 1.00 50.21 H new ATOM 0 HG11 VAL A 69 9.715 7.098 3.750 1.00 23.53 H new ATOM 0 HG12 VAL A 69 10.452 7.882 2.331 1.00 23.53 H new ATOM 0 HG13 VAL A 69 9.136 6.703 2.114 1.00 23.53 H new ATOM 0 HG21 VAL A 69 10.202 4.733 4.305 1.00 21.03 H new ATOM 0 HG22 VAL A 69 9.667 4.138 2.715 1.00 21.03 H new ATOM 0 HG23 VAL A 69 11.305 3.762 3.300 1.00 21.03 H new ATOM 1131 N MET A 70 9.705 6.056 -0.469 1.00 12.33 N ATOM 1132 CA MET A 70 8.548 5.817 -1.379 1.00 41.11 C ATOM 1133 C MET A 70 8.823 4.673 -2.402 1.00 40.12 C ATOM 1134 O MET A 70 7.927 3.909 -2.754 1.00 43.40 O ATOM 1135 CB MET A 70 8.198 7.142 -2.128 1.00 23.13 C ATOM 1136 CG MET A 70 6.745 7.262 -2.623 1.00 62.10 C ATOM 1137 SD MET A 70 5.567 7.409 -1.256 1.00 41.44 S ATOM 1138 CE MET A 70 4.020 7.731 -2.116 1.00 21.22 C ATOM 0 H MET A 70 9.989 7.035 -0.437 1.00 12.33 H new ATOM 0 HA MET A 70 7.703 5.498 -0.769 1.00 41.11 H new ATOM 0 HB2 MET A 70 8.407 7.980 -1.463 1.00 23.13 H new ATOM 0 HB3 MET A 70 8.864 7.241 -2.985 1.00 23.13 H new ATOM 0 HG2 MET A 70 6.655 8.132 -3.273 1.00 62.10 H new ATOM 0 HG3 MET A 70 6.494 6.388 -3.224 1.00 62.10 H new ATOM 0 HE1 MET A 70 3.187 7.613 -1.423 1.00 21.22 H new ATOM 0 HE2 MET A 70 4.026 8.749 -2.507 1.00 21.22 H new ATOM 0 HE3 MET A 70 3.909 7.027 -2.940 1.00 21.22 H new ATOM 1148 N GLU A 71 10.093 4.564 -2.841 1.00 30.51 N ATOM 1149 CA GLU A 71 10.558 3.504 -3.770 1.00 43.44 C ATOM 1150 C GLU A 71 10.641 2.121 -3.074 1.00 25.10 C ATOM 1151 O GLU A 71 10.223 1.106 -3.646 1.00 51.23 O ATOM 1152 CB GLU A 71 11.941 3.909 -4.343 1.00 22.44 C ATOM 1153 CG GLU A 71 12.534 2.936 -5.384 1.00 34.30 C ATOM 1154 CD GLU A 71 13.896 3.402 -5.920 1.00 50.41 C ATOM 1155 OE1 GLU A 71 14.924 3.161 -5.254 1.00 65.04 O ATOM 1156 OE2 GLU A 71 13.945 4.039 -6.995 1.00 51.42 O ATOM 0 H GLU A 71 10.832 5.210 -2.562 1.00 30.51 H new ATOM 0 HA GLU A 71 9.833 3.408 -4.579 1.00 43.44 H new ATOM 0 HB2 GLU A 71 11.852 4.894 -4.800 1.00 22.44 H new ATOM 0 HB3 GLU A 71 12.645 4.004 -3.516 1.00 22.44 H new ATOM 0 HG2 GLU A 71 12.643 1.950 -4.933 1.00 34.30 H new ATOM 0 HG3 GLU A 71 11.837 2.831 -6.216 1.00 34.30 H new ATOM 1163 N GLN A 72 11.192 2.096 -1.841 1.00 61.43 N ATOM 1164 CA GLN A 72 11.272 0.860 -1.014 1.00 5.42 C ATOM 1165 C GLN A 72 9.857 0.334 -0.654 1.00 14.13 C ATOM 1166 O GLN A 72 9.647 -0.877 -0.514 1.00 41.42 O ATOM 1167 CB GLN A 72 12.097 1.120 0.280 1.00 74.22 C ATOM 1168 CG GLN A 72 12.273 -0.123 1.186 1.00 45.43 C ATOM 1169 CD GLN A 72 13.073 0.150 2.462 1.00 63.05 C ATOM 1170 OE1 GLN A 72 14.291 0.005 2.492 1.00 71.34 O ATOM 1171 NE2 GLN A 72 12.397 0.558 3.520 1.00 44.14 N ATOM 0 H GLN A 72 11.591 2.919 -1.390 1.00 61.43 H new ATOM 0 HA GLN A 72 11.778 0.096 -1.604 1.00 5.42 H new ATOM 0 HB2 GLN A 72 13.082 1.493 -0.000 1.00 74.22 H new ATOM 0 HB3 GLN A 72 11.610 1.908 0.855 1.00 74.22 H new ATOM 0 HG2 GLN A 72 11.289 -0.503 1.460 1.00 45.43 H new ATOM 0 HG3 GLN A 72 12.771 -0.908 0.617 1.00 45.43 H new ATOM 0 HE21 GLN A 72 11.385 0.670 3.466 1.00 44.14 H new ATOM 0 HE22 GLN A 72 12.887 0.761 4.391 1.00 44.14 H new ATOM 1180 N LEU A 73 8.905 1.273 -0.512 1.00 34.32 N ATOM 1181 CA LEU A 73 7.481 0.958 -0.290 1.00 71.55 C ATOM 1182 C LEU A 73 6.897 0.172 -1.487 1.00 71.44 C ATOM 1183 O LEU A 73 6.328 -0.896 -1.288 1.00 71.22 O ATOM 1184 CB LEU A 73 6.683 2.263 -0.029 1.00 21.52 C ATOM 1185 CG LEU A 73 7.128 3.078 1.230 1.00 13.24 C ATOM 1186 CD1 LEU A 73 6.420 4.450 1.308 1.00 61.12 C ATOM 1187 CD2 LEU A 73 6.923 2.261 2.525 1.00 73.23 C ATOM 0 H LEU A 73 9.101 2.273 -0.548 1.00 34.32 H new ATOM 0 HA LEU A 73 7.396 0.322 0.591 1.00 71.55 H new ATOM 0 HB2 LEU A 73 6.770 2.904 -0.906 1.00 21.52 H new ATOM 0 HB3 LEU A 73 5.628 2.009 0.077 1.00 21.52 H new ATOM 0 HG LEU A 73 8.195 3.276 1.128 1.00 13.24 H new ATOM 0 HD11 LEU A 73 6.757 4.983 2.197 1.00 61.12 H new ATOM 0 HD12 LEU A 73 6.661 5.035 0.420 1.00 61.12 H new ATOM 0 HD13 LEU A 73 5.342 4.300 1.362 1.00 61.12 H new ATOM 0 HD21 LEU A 73 7.241 2.853 3.383 1.00 73.23 H new ATOM 0 HD22 LEU A 73 5.869 2.006 2.631 1.00 73.23 H new ATOM 0 HD23 LEU A 73 7.515 1.347 2.476 1.00 73.23 H new ATOM 1199 N LEU A 74 7.089 0.695 -2.725 1.00 12.22 N ATOM 1200 CA LEU A 74 6.679 -0.009 -3.981 1.00 24.44 C ATOM 1201 C LEU A 74 7.321 -1.418 -4.093 1.00 4.32 C ATOM 1202 O LEU A 74 6.667 -2.375 -4.531 1.00 23.02 O ATOM 1203 CB LEU A 74 7.014 0.836 -5.265 1.00 0.04 C ATOM 1204 CG LEU A 74 5.908 1.826 -5.770 1.00 51.21 C ATOM 1205 CD1 LEU A 74 4.582 1.084 -6.061 1.00 40.52 C ATOM 1206 CD2 LEU A 74 5.699 2.993 -4.790 1.00 63.11 C ATOM 0 H LEU A 74 7.525 1.603 -2.887 1.00 12.22 H new ATOM 0 HA LEU A 74 5.597 -0.129 -3.922 1.00 24.44 H new ATOM 0 HB2 LEU A 74 7.919 1.410 -5.067 1.00 0.04 H new ATOM 0 HB3 LEU A 74 7.246 0.145 -6.075 1.00 0.04 H new ATOM 0 HG LEU A 74 6.258 2.255 -6.709 1.00 51.21 H new ATOM 0 HD11 LEU A 74 3.835 1.797 -6.409 1.00 40.52 H new ATOM 0 HD12 LEU A 74 4.749 0.329 -6.829 1.00 40.52 H new ATOM 0 HD13 LEU A 74 4.227 0.603 -5.150 1.00 40.52 H new ATOM 0 HD21 LEU A 74 4.925 3.657 -5.175 1.00 63.11 H new ATOM 0 HD22 LEU A 74 5.393 2.603 -3.819 1.00 63.11 H new ATOM 0 HD23 LEU A 74 6.631 3.547 -4.680 1.00 63.11 H new ATOM 1218 N GLU A 75 8.606 -1.513 -3.692 1.00 41.53 N ATOM 1219 CA GLU A 75 9.371 -2.783 -3.683 1.00 62.35 C ATOM 1220 C GLU A 75 8.711 -3.829 -2.736 1.00 32.10 C ATOM 1221 O GLU A 75 8.587 -5.009 -3.084 1.00 52.32 O ATOM 1222 CB GLU A 75 10.844 -2.502 -3.250 1.00 23.04 C ATOM 1223 CG GLU A 75 11.811 -3.706 -3.342 1.00 14.44 C ATOM 1224 CD GLU A 75 12.083 -4.174 -4.789 1.00 60.12 C ATOM 1225 OE1 GLU A 75 12.940 -3.570 -5.471 1.00 11.44 O ATOM 1226 OE2 GLU A 75 11.446 -5.138 -5.257 1.00 21.11 O ATOM 0 H GLU A 75 9.145 -0.712 -3.364 1.00 41.53 H new ATOM 0 HA GLU A 75 9.366 -3.201 -4.690 1.00 62.35 H new ATOM 0 HB2 GLU A 75 11.238 -1.695 -3.868 1.00 23.04 H new ATOM 0 HB3 GLU A 75 10.839 -2.142 -2.221 1.00 23.04 H new ATOM 0 HG2 GLU A 75 12.757 -3.438 -2.872 1.00 14.44 H new ATOM 0 HG3 GLU A 75 11.397 -4.538 -2.772 1.00 14.44 H new ATOM 1233 N GLU A 76 8.276 -3.364 -1.542 1.00 21.11 N ATOM 1234 CA GLU A 76 7.620 -4.220 -0.525 1.00 45.24 C ATOM 1235 C GLU A 76 6.211 -4.692 -0.990 1.00 43.12 C ATOM 1236 O GLU A 76 5.861 -5.872 -0.836 1.00 71.43 O ATOM 1237 CB GLU A 76 7.504 -3.481 0.845 1.00 30.42 C ATOM 1238 CG GLU A 76 6.944 -4.348 2.002 1.00 40.24 C ATOM 1239 CD GLU A 76 7.802 -5.583 2.348 1.00 0.23 C ATOM 1240 OE1 GLU A 76 7.671 -6.637 1.680 1.00 2.34 O ATOM 1241 OE2 GLU A 76 8.604 -5.518 3.302 1.00 4.43 O ATOM 0 H GLU A 76 8.369 -2.389 -1.257 1.00 21.11 H new ATOM 0 HA GLU A 76 8.251 -5.100 -0.399 1.00 45.24 H new ATOM 0 HB2 GLU A 76 8.490 -3.113 1.129 1.00 30.42 H new ATOM 0 HB3 GLU A 76 6.863 -2.609 0.719 1.00 30.42 H new ATOM 0 HG2 GLU A 76 6.849 -3.726 2.892 1.00 40.24 H new ATOM 0 HG3 GLU A 76 5.940 -4.681 1.737 1.00 40.24 H new ATOM 1248 N ILE A 77 5.414 -3.753 -1.556 1.00 11.23 N ATOM 1249 CA ILE A 77 4.049 -4.051 -2.076 1.00 53.15 C ATOM 1250 C ILE A 77 4.109 -5.139 -3.177 1.00 63.25 C ATOM 1251 O ILE A 77 3.261 -6.028 -3.215 1.00 53.13 O ATOM 1252 CB ILE A 77 3.321 -2.771 -2.661 1.00 41.12 C ATOM 1253 CG1 ILE A 77 3.308 -1.603 -1.635 1.00 15.52 C ATOM 1254 CG2 ILE A 77 1.862 -3.098 -3.090 1.00 70.23 C ATOM 1255 CD1 ILE A 77 2.829 -0.275 -2.197 1.00 63.22 C ATOM 0 H ILE A 77 5.691 -2.778 -1.666 1.00 11.23 H new ATOM 0 HA ILE A 77 3.472 -4.407 -1.223 1.00 53.15 H new ATOM 0 HB ILE A 77 3.888 -2.460 -3.538 1.00 41.12 H new ATOM 0 HG12 ILE A 77 2.669 -1.880 -0.797 1.00 15.52 H new ATOM 0 HG13 ILE A 77 4.315 -1.473 -1.239 1.00 15.52 H new ATOM 0 HG21 ILE A 77 1.389 -2.200 -3.487 1.00 70.23 H new ATOM 0 HG22 ILE A 77 1.873 -3.872 -3.858 1.00 70.23 H new ATOM 0 HG23 ILE A 77 1.299 -3.452 -2.226 1.00 70.23 H new ATOM 0 HD11 ILE A 77 2.853 0.482 -1.413 1.00 63.22 H new ATOM 0 HD12 ILE A 77 3.481 0.030 -3.015 1.00 63.22 H new ATOM 0 HD13 ILE A 77 1.809 -0.383 -2.566 1.00 63.22 H new ATOM 1267 N GLU A 78 5.136 -5.052 -4.048 1.00 42.22 N ATOM 1268 CA GLU A 78 5.393 -6.050 -5.117 1.00 42.13 C ATOM 1269 C GLU A 78 5.470 -7.493 -4.555 1.00 31.21 C ATOM 1270 O GLU A 78 4.901 -8.427 -5.132 1.00 50.33 O ATOM 1271 CB GLU A 78 6.717 -5.715 -5.848 1.00 40.03 C ATOM 1272 CG GLU A 78 7.081 -6.682 -6.995 1.00 33.22 C ATOM 1273 CD GLU A 78 8.516 -6.493 -7.505 1.00 43.25 C ATOM 1274 OE1 GLU A 78 9.451 -7.061 -6.891 1.00 41.25 O ATOM 1275 OE2 GLU A 78 8.720 -5.780 -8.515 1.00 51.13 O ATOM 0 H GLU A 78 5.813 -4.289 -4.033 1.00 42.22 H new ATOM 0 HA GLU A 78 4.557 -6.002 -5.815 1.00 42.13 H new ATOM 0 HB2 GLU A 78 6.649 -4.704 -6.251 1.00 40.03 H new ATOM 0 HB3 GLU A 78 7.528 -5.714 -5.120 1.00 40.03 H new ATOM 0 HG2 GLU A 78 6.956 -7.709 -6.651 1.00 33.22 H new ATOM 0 HG3 GLU A 78 6.385 -6.535 -7.821 1.00 33.22 H new ATOM 1282 N LYS A 79 6.162 -7.638 -3.407 1.00 10.05 N ATOM 1283 CA LYS A 79 6.336 -8.945 -2.726 1.00 24.33 C ATOM 1284 C LYS A 79 4.978 -9.498 -2.239 1.00 73.52 C ATOM 1285 O LYS A 79 4.749 -10.700 -2.250 1.00 71.30 O ATOM 1286 CB LYS A 79 7.328 -8.830 -1.527 1.00 30.33 C ATOM 1287 CG LYS A 79 8.632 -8.054 -1.822 1.00 12.14 C ATOM 1288 CD LYS A 79 9.368 -8.542 -3.092 1.00 25.31 C ATOM 1289 CE LYS A 79 10.614 -7.693 -3.403 1.00 65.53 C ATOM 1290 NZ LYS A 79 11.214 -8.040 -4.717 1.00 44.23 N ATOM 0 H LYS A 79 6.615 -6.861 -2.926 1.00 10.05 H new ATOM 0 HA LYS A 79 6.756 -9.640 -3.454 1.00 24.33 H new ATOM 0 HB2 LYS A 79 6.815 -8.344 -0.697 1.00 30.33 H new ATOM 0 HB3 LYS A 79 7.589 -9.835 -1.195 1.00 30.33 H new ATOM 0 HG2 LYS A 79 8.398 -6.995 -1.932 1.00 12.14 H new ATOM 0 HG3 LYS A 79 9.301 -8.146 -0.966 1.00 12.14 H new ATOM 0 HD2 LYS A 79 9.663 -9.583 -2.962 1.00 25.31 H new ATOM 0 HD3 LYS A 79 8.686 -8.508 -3.941 1.00 25.31 H new ATOM 0 HE2 LYS A 79 10.343 -6.637 -3.396 1.00 65.53 H new ATOM 0 HE3 LYS A 79 11.355 -7.837 -2.617 1.00 65.53 H new ATOM 0 HZ1 LYS A 79 12.152 -7.599 -4.798 1.00 44.23 H new ATOM 0 HZ2 LYS A 79 11.309 -9.073 -4.793 1.00 44.23 H new ATOM 0 HZ3 LYS A 79 10.601 -7.692 -5.481 1.00 44.23 H new ATOM 1304 N LEU A 80 4.091 -8.583 -1.828 1.00 42.22 N ATOM 1305 CA LEU A 80 2.710 -8.903 -1.402 1.00 55.32 C ATOM 1306 C LEU A 80 1.788 -9.223 -2.613 1.00 0.41 C ATOM 1307 O LEU A 80 0.806 -9.935 -2.456 1.00 50.45 O ATOM 1308 CB LEU A 80 2.141 -7.760 -0.509 1.00 5.22 C ATOM 1309 CG LEU A 80 2.547 -7.789 1.013 1.00 73.44 C ATOM 1310 CD1 LEU A 80 1.845 -8.939 1.765 1.00 61.10 C ATOM 1311 CD2 LEU A 80 4.084 -7.853 1.213 1.00 71.05 C ATOM 0 H LEU A 80 4.308 -7.588 -1.779 1.00 42.22 H new ATOM 0 HA LEU A 80 2.741 -9.811 -0.800 1.00 55.32 H new ATOM 0 HB2 LEU A 80 2.462 -6.807 -0.930 1.00 5.22 H new ATOM 0 HB3 LEU A 80 1.053 -7.787 -0.573 1.00 5.22 H new ATOM 0 HG LEU A 80 2.206 -6.847 1.442 1.00 73.44 H new ATOM 0 HD11 LEU A 80 2.149 -8.928 2.812 1.00 61.10 H new ATOM 0 HD12 LEU A 80 0.765 -8.811 1.699 1.00 61.10 H new ATOM 0 HD13 LEU A 80 2.125 -9.892 1.316 1.00 61.10 H new ATOM 0 HD21 LEU A 80 4.312 -7.871 2.279 1.00 71.05 H new ATOM 0 HD22 LEU A 80 4.475 -8.756 0.743 1.00 71.05 H new ATOM 0 HD23 LEU A 80 4.547 -6.977 0.758 1.00 71.05 H new ATOM 1323 N LEU A 81 2.082 -8.661 -3.805 1.00 54.44 N ATOM 1324 CA LEU A 81 1.419 -9.084 -5.079 1.00 32.01 C ATOM 1325 C LEU A 81 1.795 -10.548 -5.447 1.00 51.23 C ATOM 1326 O LEU A 81 1.021 -11.247 -6.105 1.00 14.31 O ATOM 1327 CB LEU A 81 1.751 -8.109 -6.263 1.00 50.54 C ATOM 1328 CG LEU A 81 0.808 -6.864 -6.432 1.00 23.23 C ATOM 1329 CD1 LEU A 81 0.846 -5.935 -5.207 1.00 42.43 C ATOM 1330 CD2 LEU A 81 1.121 -6.080 -7.731 1.00 61.43 C ATOM 0 H LEU A 81 2.769 -7.916 -3.922 1.00 54.44 H new ATOM 0 HA LEU A 81 0.343 -9.039 -4.911 1.00 32.01 H new ATOM 0 HB2 LEU A 81 2.771 -7.749 -6.132 1.00 50.54 H new ATOM 0 HB3 LEU A 81 1.731 -8.680 -7.191 1.00 50.54 H new ATOM 0 HG LEU A 81 -0.207 -7.254 -6.513 1.00 23.23 H new ATOM 0 HD11 LEU A 81 0.178 -5.089 -5.371 1.00 42.43 H new ATOM 0 HD12 LEU A 81 0.524 -6.485 -4.323 1.00 42.43 H new ATOM 0 HD13 LEU A 81 1.863 -5.571 -5.058 1.00 42.43 H new ATOM 0 HD21 LEU A 81 0.448 -5.226 -7.812 1.00 61.43 H new ATOM 0 HD22 LEU A 81 2.152 -5.728 -7.704 1.00 61.43 H new ATOM 0 HD23 LEU A 81 0.983 -6.733 -8.592 1.00 61.43 H new ATOM 1342 N LYS A 82 3.012 -10.973 -5.044 1.00 24.35 N ATOM 1343 CA LYS A 82 3.494 -12.369 -5.217 1.00 43.43 C ATOM 1344 C LYS A 82 2.772 -13.330 -4.226 1.00 41.11 C ATOM 1345 O LYS A 82 2.168 -14.328 -4.627 1.00 33.44 O ATOM 1346 CB LYS A 82 5.041 -12.440 -4.976 1.00 12.05 C ATOM 1347 CG LYS A 82 5.918 -11.423 -5.770 1.00 52.01 C ATOM 1348 CD LYS A 82 6.375 -11.899 -7.171 1.00 24.22 C ATOM 1349 CE LYS A 82 5.252 -11.979 -8.214 1.00 42.22 C ATOM 1350 NZ LYS A 82 5.763 -12.490 -9.510 1.00 51.12 N ATOM 0 H LYS A 82 3.691 -10.362 -4.590 1.00 24.35 H new ATOM 0 HA LYS A 82 3.269 -12.680 -6.237 1.00 43.43 H new ATOM 0 HB2 LYS A 82 5.227 -12.293 -3.912 1.00 12.05 H new ATOM 0 HB3 LYS A 82 5.379 -13.447 -5.223 1.00 12.05 H new ATOM 0 HG2 LYS A 82 5.357 -10.496 -5.884 1.00 52.01 H new ATOM 0 HG3 LYS A 82 6.802 -11.190 -5.177 1.00 52.01 H new ATOM 0 HD2 LYS A 82 7.146 -11.221 -7.537 1.00 24.22 H new ATOM 0 HD3 LYS A 82 6.835 -12.883 -7.074 1.00 24.22 H new ATOM 0 HE2 LYS A 82 4.459 -12.631 -7.850 1.00 42.22 H new ATOM 0 HE3 LYS A 82 4.813 -10.992 -8.356 1.00 42.22 H new ATOM 0 HZ1 LYS A 82 5.698 -11.741 -10.228 1.00 51.12 H new ATOM 0 HZ2 LYS A 82 6.756 -12.780 -9.402 1.00 51.12 H new ATOM 0 HZ3 LYS A 82 5.194 -13.307 -9.810 1.00 51.12 H new ATOM 1364 N LYS A 83 2.873 -12.996 -2.927 1.00 11.44 N ATOM 1365 CA LYS A 83 2.376 -13.830 -1.805 1.00 1.42 C ATOM 1366 C LYS A 83 0.822 -13.847 -1.709 1.00 64.30 C ATOM 1367 O LYS A 83 0.199 -14.913 -1.678 1.00 31.30 O ATOM 1368 CB LYS A 83 2.980 -13.290 -0.480 1.00 60.42 C ATOM 1369 CG LYS A 83 4.525 -13.279 -0.411 1.00 55.11 C ATOM 1370 CD LYS A 83 5.064 -12.461 0.798 1.00 0.34 C ATOM 1371 CE LYS A 83 4.636 -13.033 2.165 1.00 43.23 C ATOM 1372 NZ LYS A 83 5.221 -14.372 2.420 1.00 73.43 N ATOM 0 H LYS A 83 3.308 -12.127 -2.617 1.00 11.44 H new ATOM 0 HA LYS A 83 2.690 -14.858 -1.986 1.00 1.42 H new ATOM 0 HB2 LYS A 83 2.619 -12.273 -0.324 1.00 60.42 H new ATOM 0 HB3 LYS A 83 2.601 -13.893 0.345 1.00 60.42 H new ATOM 0 HG2 LYS A 83 4.889 -14.304 -0.343 1.00 55.11 H new ATOM 0 HG3 LYS A 83 4.923 -12.860 -1.335 1.00 55.11 H new ATOM 0 HD2 LYS A 83 6.153 -12.431 0.750 1.00 0.34 H new ATOM 0 HD3 LYS A 83 4.712 -11.432 0.717 1.00 0.34 H new ATOM 0 HE2 LYS A 83 4.942 -12.348 2.956 1.00 43.23 H new ATOM 0 HE3 LYS A 83 3.549 -13.100 2.205 1.00 43.23 H new ATOM 0 HZ1 LYS A 83 4.906 -14.717 3.349 1.00 73.43 H new ATOM 0 HZ2 LYS A 83 4.909 -15.034 1.681 1.00 73.43 H new ATOM 0 HZ3 LYS A 83 6.259 -14.305 2.409 1.00 73.43 H new ATOM 1386 N ALA A 84 0.226 -12.642 -1.636 1.00 34.35 N ATOM 1387 CA ALA A 84 -1.232 -12.452 -1.426 1.00 11.23 C ATOM 1388 C ALA A 84 -2.015 -12.422 -2.756 1.00 40.20 C ATOM 1389 O ALA A 84 -1.436 -12.291 -3.844 1.00 42.01 O ATOM 1390 CB ALA A 84 -1.485 -11.161 -0.623 1.00 43.33 C ATOM 0 H ALA A 84 0.740 -11.765 -1.721 1.00 34.35 H new ATOM 0 HA ALA A 84 -1.597 -13.309 -0.860 1.00 11.23 H new ATOM 0 HB1 ALA A 84 -2.557 -11.030 -0.474 1.00 43.33 H new ATOM 0 HB2 ALA A 84 -0.990 -11.232 0.345 1.00 43.33 H new ATOM 0 HB3 ALA A 84 -1.088 -10.307 -1.172 1.00 43.33 H new ATOM 1396 N GLY A 85 -3.353 -12.531 -2.638 1.00 4.22 N ATOM 1397 CA GLY A 85 -4.251 -12.645 -3.793 1.00 61.44 C ATOM 1398 C GLY A 85 -4.319 -14.077 -4.329 1.00 43.34 C ATOM 1399 O GLY A 85 -5.387 -14.706 -4.335 1.00 44.14 O ATOM 0 H GLY A 85 -3.836 -12.542 -1.740 1.00 4.22 H new ATOM 0 HA2 GLY A 85 -5.251 -12.317 -3.508 1.00 61.44 H new ATOM 0 HA3 GLY A 85 -3.910 -11.978 -4.584 1.00 61.44 H new ATOM 1403 N SER A 86 -3.161 -14.577 -4.781 1.00 5.31 N ATOM 1404 CA SER A 86 -2.963 -15.979 -5.207 1.00 61.44 C ATOM 1405 C SER A 86 -1.519 -16.425 -4.892 1.00 3.02 C ATOM 1406 O SER A 86 -0.639 -15.595 -4.641 1.00 0.44 O ATOM 1407 CB SER A 86 -3.240 -16.134 -6.724 1.00 32.41 C ATOM 1408 OG SER A 86 -4.569 -15.757 -7.065 1.00 62.30 O ATOM 0 H SER A 86 -2.316 -14.012 -4.864 1.00 5.31 H new ATOM 0 HA SER A 86 -3.664 -16.609 -4.659 1.00 61.44 H new ATOM 0 HB2 SER A 86 -2.534 -15.522 -7.286 1.00 32.41 H new ATOM 0 HB3 SER A 86 -3.070 -17.169 -7.020 1.00 32.41 H new ATOM 0 HG SER A 86 -4.703 -15.867 -8.029 1.00 62.30 H new ATOM 1414 N LEU A 87 -1.281 -17.744 -4.931 1.00 55.13 N ATOM 1415 CA LEU A 87 0.068 -18.337 -4.735 1.00 14.50 C ATOM 1416 C LEU A 87 0.805 -18.542 -6.089 1.00 61.01 C ATOM 1417 O LEU A 87 1.733 -19.352 -6.187 1.00 61.22 O ATOM 1418 CB LEU A 87 -0.070 -19.686 -3.973 1.00 12.35 C ATOM 1419 CG LEU A 87 -0.791 -19.620 -2.587 1.00 4.30 C ATOM 1420 CD1 LEU A 87 -0.894 -21.017 -1.938 1.00 70.01 C ATOM 1421 CD2 LEU A 87 -0.108 -18.602 -1.634 1.00 21.13 C ATOM 0 H LEU A 87 -2.011 -18.436 -5.098 1.00 55.13 H new ATOM 0 HA LEU A 87 0.669 -17.646 -4.145 1.00 14.50 H new ATOM 0 HB2 LEU A 87 -0.612 -20.386 -4.609 1.00 12.35 H new ATOM 0 HB3 LEU A 87 0.927 -20.099 -3.822 1.00 12.35 H new ATOM 0 HG LEU A 87 -1.806 -19.265 -2.767 1.00 4.30 H new ATOM 0 HD11 LEU A 87 -1.400 -20.935 -0.976 1.00 70.01 H new ATOM 0 HD12 LEU A 87 -1.461 -21.681 -2.591 1.00 70.01 H new ATOM 0 HD13 LEU A 87 0.106 -21.423 -1.788 1.00 70.01 H new ATOM 0 HD21 LEU A 87 -0.637 -18.584 -0.681 1.00 21.13 H new ATOM 0 HD22 LEU A 87 0.928 -18.897 -1.468 1.00 21.13 H new ATOM 0 HD23 LEU A 87 -0.135 -17.609 -2.083 1.00 21.13 H new ATOM 1433 N VAL A 88 0.412 -17.759 -7.115 1.00 11.21 N ATOM 1434 CA VAL A 88 0.920 -17.897 -8.500 1.00 14.54 C ATOM 1435 C VAL A 88 2.184 -17.017 -8.743 1.00 52.11 C ATOM 1436 O VAL A 88 2.339 -15.960 -8.112 1.00 33.33 O ATOM 1437 CB VAL A 88 -0.209 -17.541 -9.552 1.00 1.32 C ATOM 1438 CG1 VAL A 88 -1.441 -18.467 -9.363 1.00 24.13 C ATOM 1439 CG2 VAL A 88 -0.610 -16.037 -9.497 1.00 33.24 C ATOM 0 H VAL A 88 -0.270 -17.009 -7.008 1.00 11.21 H new ATOM 0 HA VAL A 88 1.209 -18.939 -8.635 1.00 14.54 H new ATOM 0 HB VAL A 88 0.200 -17.716 -10.547 1.00 1.32 H new ATOM 0 HG11 VAL A 88 -2.207 -18.208 -10.094 1.00 24.13 H new ATOM 0 HG12 VAL A 88 -1.141 -19.505 -9.504 1.00 24.13 H new ATOM 0 HG13 VAL A 88 -1.842 -18.339 -8.357 1.00 24.13 H new ATOM 0 HG21 VAL A 88 -1.387 -15.840 -10.236 1.00 33.24 H new ATOM 0 HG22 VAL A 88 -0.986 -15.797 -8.502 1.00 33.24 H new ATOM 0 HG23 VAL A 88 0.262 -15.420 -9.714 1.00 33.24 H new ATOM 1449 N PRO A 89 3.121 -17.446 -9.655 1.00 3.44 N ATOM 1450 CA PRO A 89 4.323 -16.637 -10.012 1.00 45.55 C ATOM 1451 C PRO A 89 4.009 -15.382 -10.882 1.00 52.33 C ATOM 1452 O PRO A 89 4.880 -14.523 -11.035 1.00 33.44 O ATOM 1453 CB PRO A 89 5.203 -17.653 -10.790 1.00 14.13 C ATOM 1454 CG PRO A 89 4.223 -18.606 -11.402 1.00 4.34 C ATOM 1455 CD PRO A 89 3.115 -18.758 -10.378 1.00 4.41 C ATOM 0 HA PRO A 89 4.798 -16.214 -9.127 1.00 45.55 H new ATOM 0 HB2 PRO A 89 5.803 -17.156 -11.553 1.00 14.13 H new ATOM 0 HB3 PRO A 89 5.896 -18.169 -10.125 1.00 14.13 H new ATOM 0 HG2 PRO A 89 3.836 -18.220 -12.345 1.00 4.34 H new ATOM 0 HG3 PRO A 89 4.692 -19.566 -11.619 1.00 4.34 H new ATOM 0 HD2 PRO A 89 2.153 -18.949 -10.854 1.00 4.41 H new ATOM 0 HD3 PRO A 89 3.307 -19.590 -9.700 1.00 4.41 H new ATOM 1463 N ARG A 90 2.774 -15.308 -11.444 1.00 11.34 N ATOM 1464 CA ARG A 90 2.304 -14.201 -12.326 1.00 44.31 C ATOM 1465 C ARG A 90 3.154 -14.104 -13.630 1.00 65.35 C ATOM 1466 O ARG A 90 4.281 -13.583 -13.618 1.00 63.12 O ATOM 1467 CB ARG A 90 2.266 -12.827 -11.572 1.00 72.13 C ATOM 1468 CG ARG A 90 1.707 -11.643 -12.409 1.00 41.42 C ATOM 1469 CD ARG A 90 0.187 -11.735 -12.663 1.00 52.33 C ATOM 1470 NE ARG A 90 -0.603 -11.377 -11.463 1.00 22.43 N ATOM 1471 CZ ARG A 90 -1.545 -12.107 -10.903 1.00 31.34 C ATOM 1472 NH1 ARG A 90 -1.842 -13.288 -11.348 1.00 70.42 N ATOM 1473 NH2 ARG A 90 -2.205 -11.633 -9.898 1.00 64.54 N ATOM 0 H ARG A 90 2.064 -16.026 -11.296 1.00 11.34 H new ATOM 0 HA ARG A 90 1.281 -14.441 -12.615 1.00 44.31 H new ATOM 0 HB2 ARG A 90 1.659 -12.938 -10.673 1.00 72.13 H new ATOM 0 HB3 ARG A 90 3.276 -12.579 -11.246 1.00 72.13 H new ATOM 0 HG2 ARG A 90 1.926 -10.708 -11.893 1.00 41.42 H new ATOM 0 HG3 ARG A 90 2.226 -11.608 -13.367 1.00 41.42 H new ATOM 0 HD2 ARG A 90 -0.083 -11.072 -13.485 1.00 52.33 H new ATOM 0 HD3 ARG A 90 -0.067 -12.748 -12.974 1.00 52.33 H new ATOM 0 HE ARG A 90 -0.398 -10.478 -11.028 1.00 22.43 H new ATOM 0 HH11 ARG A 90 -1.342 -13.672 -12.150 1.00 70.42 H new ATOM 0 HH12 ARG A 90 -2.576 -13.833 -10.896 1.00 70.42 H new ATOM 0 HH21 ARG A 90 -1.995 -10.700 -9.544 1.00 64.54 H new ATOM 0 HH22 ARG A 90 -2.936 -12.192 -9.459 1.00 64.54 H new ATOM 1487 N GLY A 91 2.596 -14.598 -14.761 1.00 41.41 N ATOM 1488 CA GLY A 91 3.306 -14.612 -16.060 1.00 1.31 C ATOM 1489 C GLY A 91 3.219 -13.285 -16.833 1.00 71.33 C ATOM 1490 O GLY A 91 2.886 -13.271 -18.026 1.00 43.24 O ATOM 0 H GLY A 91 1.656 -14.992 -14.799 1.00 41.41 H new ATOM 0 HA2 GLY A 91 4.355 -14.852 -15.887 1.00 1.31 H new ATOM 0 HA3 GLY A 91 2.895 -15.409 -16.679 1.00 1.31 H new ATOM 1494 N SER A 92 3.547 -12.168 -16.152 1.00 65.44 N ATOM 1495 CA SER A 92 3.519 -10.803 -16.745 1.00 72.23 C ATOM 1496 C SER A 92 4.903 -10.421 -17.318 1.00 70.31 C ATOM 1497 O SER A 92 5.934 -10.932 -16.871 1.00 52.13 O ATOM 1498 CB SER A 92 3.074 -9.757 -15.691 1.00 74.31 C ATOM 1499 OG SER A 92 3.013 -8.441 -16.244 1.00 15.33 O ATOM 0 H SER A 92 3.840 -12.180 -15.175 1.00 65.44 H new ATOM 0 HA SER A 92 2.796 -10.809 -17.561 1.00 72.23 H new ATOM 0 HB2 SER A 92 2.096 -10.032 -15.297 1.00 74.31 H new ATOM 0 HB3 SER A 92 3.770 -9.767 -14.852 1.00 74.31 H new ATOM 0 HG SER A 92 2.728 -7.808 -15.552 1.00 15.33 H new ATOM 1505 N TYR A 93 4.914 -9.501 -18.299 1.00 60.11 N ATOM 1506 CA TYR A 93 6.147 -9.071 -19.010 1.00 73.03 C ATOM 1507 C TYR A 93 6.576 -7.656 -18.568 1.00 30.52 C ATOM 1508 O TYR A 93 5.761 -6.894 -18.032 1.00 54.23 O ATOM 1509 CB TYR A 93 5.913 -9.124 -20.536 1.00 54.22 C ATOM 1510 CG TYR A 93 5.510 -10.526 -21.027 1.00 34.44 C ATOM 1511 CD1 TYR A 93 6.473 -11.506 -21.276 1.00 12.42 C ATOM 1512 CD2 TYR A 93 4.166 -10.875 -21.211 1.00 22.04 C ATOM 1513 CE1 TYR A 93 6.115 -12.772 -21.692 1.00 33.54 C ATOM 1514 CE2 TYR A 93 3.807 -12.142 -21.629 1.00 4.10 C ATOM 1515 CZ TYR A 93 4.784 -13.083 -21.866 1.00 50.22 C ATOM 1516 OH TYR A 93 4.431 -14.346 -22.284 1.00 31.12 O ATOM 0 H TYR A 93 4.071 -9.030 -18.627 1.00 60.11 H new ATOM 0 HA TYR A 93 6.956 -9.754 -18.753 1.00 73.03 H new ATOM 0 HB2 TYR A 93 5.133 -8.411 -20.805 1.00 54.22 H new ATOM 0 HB3 TYR A 93 6.822 -8.811 -21.050 1.00 54.22 H new ATOM 0 HD1 TYR A 93 7.518 -11.269 -21.140 1.00 12.42 H new ATOM 0 HD2 TYR A 93 3.397 -10.141 -21.023 1.00 22.04 H new ATOM 0 HE1 TYR A 93 6.875 -13.516 -21.880 1.00 33.54 H new ATOM 0 HE2 TYR A 93 2.766 -12.393 -21.769 1.00 4.10 H new ATOM 0 HH TYR A 93 3.456 -14.406 -22.357 1.00 31.12 H new ATOM 1526 N LEU A 94 7.867 -7.319 -18.818 1.00 5.32 N ATOM 1527 CA LEU A 94 8.510 -6.053 -18.351 1.00 52.31 C ATOM 1528 C LEU A 94 8.487 -5.944 -16.797 1.00 32.22 C ATOM 1529 O LEU A 94 8.272 -6.956 -16.117 1.00 30.33 O ATOM 1530 CB LEU A 94 7.881 -4.787 -19.047 1.00 65.11 C ATOM 1531 CG LEU A 94 8.265 -4.541 -20.554 1.00 73.10 C ATOM 1532 CD1 LEU A 94 7.771 -5.676 -21.489 1.00 11.35 C ATOM 1533 CD2 LEU A 94 7.759 -3.155 -21.036 1.00 14.51 C ATOM 0 H LEU A 94 8.498 -7.917 -19.351 1.00 5.32 H new ATOM 0 HA LEU A 94 9.557 -6.086 -18.653 1.00 52.31 H new ATOM 0 HB2 LEU A 94 6.796 -4.867 -18.982 1.00 65.11 H new ATOM 0 HB3 LEU A 94 8.170 -3.906 -18.475 1.00 65.11 H new ATOM 0 HG LEU A 94 9.354 -4.547 -20.608 1.00 73.10 H new ATOM 0 HD11 LEU A 94 8.063 -5.455 -22.516 1.00 11.35 H new ATOM 0 HD12 LEU A 94 8.217 -6.622 -21.181 1.00 11.35 H new ATOM 0 HD13 LEU A 94 6.685 -5.750 -21.429 1.00 11.35 H new ATOM 0 HD21 LEU A 94 8.037 -3.009 -22.080 1.00 14.51 H new ATOM 0 HD22 LEU A 94 6.674 -3.110 -20.939 1.00 14.51 H new ATOM 0 HD23 LEU A 94 8.210 -2.371 -20.428 1.00 14.51 H new ATOM 1545 N GLU A 95 8.791 -4.736 -16.253 1.00 31.04 N ATOM 1546 CA GLU A 95 8.694 -4.433 -14.790 1.00 44.51 C ATOM 1547 C GLU A 95 9.719 -5.270 -13.936 1.00 70.54 C ATOM 1548 O GLU A 95 10.336 -6.221 -14.445 1.00 5.44 O ATOM 1549 CB GLU A 95 7.216 -4.647 -14.302 1.00 1.14 C ATOM 1550 CG GLU A 95 6.902 -4.187 -12.864 1.00 54.42 C ATOM 1551 CD GLU A 95 5.450 -4.476 -12.433 1.00 64.31 C ATOM 1552 OE1 GLU A 95 4.545 -3.701 -12.809 1.00 62.41 O ATOM 1553 OE2 GLU A 95 5.213 -5.462 -11.701 1.00 33.41 O ATOM 0 H GLU A 95 9.110 -3.943 -16.810 1.00 31.04 H new ATOM 0 HA GLU A 95 8.964 -3.388 -14.641 1.00 44.51 H new ATOM 0 HB2 GLU A 95 6.550 -4.119 -14.984 1.00 1.14 H new ATOM 0 HB3 GLU A 95 6.979 -5.708 -14.382 1.00 1.14 H new ATOM 0 HG2 GLU A 95 7.584 -4.684 -12.174 1.00 54.42 H new ATOM 0 HG3 GLU A 95 7.091 -3.117 -12.783 1.00 54.42 H new ATOM 1560 N HIS A 96 9.909 -4.882 -12.650 1.00 41.21 N ATOM 1561 CA HIS A 96 10.767 -5.608 -11.686 1.00 35.31 C ATOM 1562 C HIS A 96 12.252 -5.615 -12.148 1.00 74.22 C ATOM 1563 O HIS A 96 12.719 -6.569 -12.792 1.00 54.15 O ATOM 1564 CB HIS A 96 10.217 -7.048 -11.424 1.00 5.04 C ATOM 1565 CG HIS A 96 11.048 -7.883 -10.481 1.00 1.12 C ATOM 1566 ND1 HIS A 96 11.180 -7.595 -9.143 1.00 64.44 N ATOM 1567 CD2 HIS A 96 11.797 -8.997 -10.691 1.00 4.44 C ATOM 1568 CE1 HIS A 96 11.966 -8.484 -8.577 1.00 34.54 C ATOM 1569 NE2 HIS A 96 12.351 -9.344 -9.493 1.00 41.43 N ATOM 0 H HIS A 96 9.468 -4.052 -12.253 1.00 41.21 H new ATOM 0 HA HIS A 96 10.738 -5.077 -10.734 1.00 35.31 H new ATOM 0 HB2 HIS A 96 9.207 -6.968 -11.022 1.00 5.04 H new ATOM 0 HB3 HIS A 96 10.140 -7.571 -12.377 1.00 5.04 H new ATOM 0 HD2 HIS A 96 11.929 -9.512 -11.631 1.00 4.44 H new ATOM 0 HE1 HIS A 96 12.248 -8.504 -7.535 1.00 34.54 H new ATOM 0 HE2 HIS A 96 12.965 -10.143 -9.334 1.00 41.43 H new ATOM 1578 N HIS A 97 12.954 -4.500 -11.857 1.00 20.43 N ATOM 1579 CA HIS A 97 14.369 -4.286 -12.231 1.00 44.15 C ATOM 1580 C HIS A 97 14.576 -4.347 -13.773 1.00 5.31 C ATOM 1581 O HIS A 97 14.887 -5.412 -14.337 1.00 24.13 O ATOM 1582 CB HIS A 97 15.304 -5.280 -11.480 1.00 21.20 C ATOM 1583 CG HIS A 97 16.774 -5.058 -11.713 1.00 63.23 C ATOM 1584 ND1 HIS A 97 17.486 -4.059 -11.094 1.00 1.32 N ATOM 1585 CD2 HIS A 97 17.664 -5.714 -12.495 1.00 15.03 C ATOM 1586 CE1 HIS A 97 18.737 -4.108 -11.485 1.00 34.44 C ATOM 1587 NE2 HIS A 97 18.873 -5.100 -12.332 1.00 51.33 N ATOM 0 H HIS A 97 12.550 -3.713 -11.349 1.00 20.43 H new ATOM 0 HA HIS A 97 14.643 -3.278 -11.918 1.00 44.15 H new ATOM 0 HB2 HIS A 97 15.104 -5.208 -10.411 1.00 21.20 H new ATOM 0 HB3 HIS A 97 15.051 -6.296 -11.784 1.00 21.20 H new ATOM 0 HD2 HIS A 97 17.457 -6.564 -13.129 1.00 15.03 H new ATOM 0 HE1 HIS A 97 19.524 -3.442 -11.163 1.00 34.44 H new ATOM 0 HE2 HIS A 97 19.741 -5.369 -12.794 1.00 51.33 H new ATOM 1596 N HIS A 98 14.349 -3.206 -14.445 1.00 52.51 N ATOM 1597 CA HIS A 98 14.628 -3.068 -15.884 1.00 64.23 C ATOM 1598 C HIS A 98 16.154 -3.121 -16.130 1.00 61.23 C ATOM 1599 O HIS A 98 16.910 -2.327 -15.562 1.00 21.42 O ATOM 1600 CB HIS A 98 14.027 -1.747 -16.437 1.00 64.14 C ATOM 1601 CG HIS A 98 14.391 -1.453 -17.880 1.00 71.31 C ATOM 1602 ND1 HIS A 98 15.265 -0.450 -18.245 1.00 51.24 N ATOM 1603 CD2 HIS A 98 14.017 -2.052 -19.043 1.00 22.34 C ATOM 1604 CE1 HIS A 98 15.415 -0.446 -19.550 1.00 12.40 C ATOM 1605 NE2 HIS A 98 14.673 -1.405 -20.061 1.00 13.34 N ATOM 0 H HIS A 98 13.972 -2.363 -14.012 1.00 52.51 H new ATOM 0 HA HIS A 98 14.158 -3.896 -16.414 1.00 64.23 H new ATOM 0 HB2 HIS A 98 12.941 -1.791 -16.350 1.00 64.14 H new ATOM 0 HB3 HIS A 98 14.364 -0.919 -15.813 1.00 64.14 H new ATOM 0 HD2 HIS A 98 13.332 -2.881 -19.146 1.00 22.34 H new ATOM 0 HE1 HIS A 98 16.043 0.231 -20.110 1.00 12.40 H new ATOM 0 HE2 HIS A 98 14.597 -1.631 -21.053 1.00 13.34 H new ATOM 1614 N HIS A 99 16.589 -4.073 -16.966 1.00 5.34 N ATOM 1615 CA HIS A 99 18.014 -4.235 -17.325 1.00 63.31 C ATOM 1616 C HIS A 99 18.471 -3.110 -18.285 1.00 10.02 C ATOM 1617 O HIS A 99 17.662 -2.570 -19.041 1.00 11.11 O ATOM 1618 CB HIS A 99 18.250 -5.622 -17.978 1.00 33.21 C ATOM 1619 CG HIS A 99 17.771 -6.787 -17.139 1.00 64.20 C ATOM 1620 ND1 HIS A 99 16.921 -7.766 -17.612 1.00 31.50 N ATOM 1621 CD2 HIS A 99 18.026 -7.120 -15.849 1.00 73.10 C ATOM 1622 CE1 HIS A 99 16.673 -8.635 -16.654 1.00 3.20 C ATOM 1623 NE2 HIS A 99 17.329 -8.268 -15.577 1.00 74.43 N ATOM 0 H HIS A 99 15.972 -4.751 -17.413 1.00 5.34 H new ATOM 0 HA HIS A 99 18.605 -4.169 -16.412 1.00 63.31 H new ATOM 0 HB2 HIS A 99 17.743 -5.649 -18.942 1.00 33.21 H new ATOM 0 HB3 HIS A 99 19.315 -5.743 -18.175 1.00 33.21 H new ATOM 0 HD2 HIS A 99 18.661 -6.580 -15.163 1.00 73.10 H new ATOM 0 HE1 HIS A 99 16.037 -9.504 -16.740 1.00 3.20 H new ATOM 0 HE2 HIS A 99 17.321 -8.758 -14.683 1.00 74.43 H new ATOM 1632 N HIS A 100 19.783 -2.795 -18.281 1.00 34.30 N ATOM 1633 CA HIS A 100 20.370 -1.766 -19.188 1.00 23.40 C ATOM 1634 C HIS A 100 20.642 -2.320 -20.628 1.00 75.35 C ATOM 1635 O HIS A 100 21.525 -1.826 -21.337 1.00 33.31 O ATOM 1636 CB HIS A 100 21.663 -1.186 -18.547 1.00 53.54 C ATOM 1637 CG HIS A 100 21.426 -0.365 -17.297 1.00 13.32 C ATOM 1638 ND1 HIS A 100 21.653 -0.839 -16.020 1.00 74.53 N ATOM 1639 CD2 HIS A 100 21.002 0.919 -17.140 1.00 24.51 C ATOM 1640 CE1 HIS A 100 21.381 0.106 -15.143 1.00 51.42 C ATOM 1641 NE2 HIS A 100 20.984 1.176 -15.793 1.00 12.44 N ATOM 0 H HIS A 100 20.463 -3.235 -17.661 1.00 34.30 H new ATOM 0 HA HIS A 100 19.640 -0.966 -19.308 1.00 23.40 H new ATOM 0 HB2 HIS A 100 22.335 -2.009 -18.305 1.00 53.54 H new ATOM 0 HB3 HIS A 100 22.173 -0.565 -19.284 1.00 53.54 H new ATOM 0 HD2 HIS A 100 20.731 1.606 -17.928 1.00 24.51 H new ATOM 0 HE1 HIS A 100 21.470 0.016 -14.070 1.00 51.42 H new ATOM 0 HE2 HIS A 100 20.706 2.059 -15.364 1.00 12.44 H new ATOM 1650 N HIS A 101 19.856 -3.344 -21.035 1.00 52.24 N ATOM 1651 CA HIS A 101 19.825 -3.918 -22.405 1.00 31.34 C ATOM 1652 C HIS A 101 18.377 -4.415 -22.727 1.00 62.15 C ATOM 1653 O HIS A 101 17.644 -3.724 -23.467 1.00 37.19 O ATOM 1654 CB HIS A 101 20.850 -5.079 -22.554 1.00 62.34 C ATOM 1655 CG HIS A 101 22.281 -4.643 -22.724 1.00 70.40 C ATOM 1656 ND1 HIS A 101 23.317 -5.128 -21.957 1.00 5.32 N ATOM 1657 CD2 HIS A 101 22.849 -3.789 -23.613 1.00 52.22 C ATOM 1658 CE1 HIS A 101 24.446 -4.594 -22.360 1.00 12.14 C ATOM 1659 NE2 HIS A 101 24.195 -3.785 -23.360 1.00 52.30 N ATOM 1660 OXT HIS A 101 17.968 -5.469 -22.188 1.00 37.19 O ATOM 0 H HIS A 101 19.206 -3.809 -20.402 1.00 52.24 H new ATOM 0 HA HIS A 101 20.107 -3.142 -23.116 1.00 31.34 H new ATOM 0 HB2 HIS A 101 20.782 -5.719 -21.674 1.00 62.34 H new ATOM 0 HB3 HIS A 101 20.566 -5.687 -23.413 1.00 62.34 H new ATOM 0 HD2 HIS A 101 22.337 -3.221 -24.375 1.00 52.22 H new ATOM 0 HE1 HIS A 101 25.421 -4.789 -21.938 1.00 12.14 H new ATOM 0 HE2 HIS A 101 24.891 -3.240 -23.869 1.00 52.30 H new TER 1669 HIS A 101