USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=22 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 -174:sc= -0.614 (180deg=-0.866) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.125 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0828 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.04) USER MOD Single : A 6 LYS NZ :NH3+ -120:sc= 0.932 (180deg=-1.36!) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0288) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.732 (180deg=0.69) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00932 (180deg=-0.126) USER MOD Single : A 20 THR OG1 : rot 87:sc= 0.275 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0326) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 0.838 (180deg=0.514) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0.299 (180deg=-0.406) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -158:sc= -1.23 (180deg=-1.85!) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0503) USER MOD Single : A 60 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.21) USER MOD Single : A 61 MET CE :methyl -156:sc= -2.08 (180deg=-4.73!) USER MOD Single : A 62 TYR OH : rot 88:sc= 0.661 USER MOD Single : A 63 LYS NZ :NH3+ -111:sc= 0.524 (180deg=-0.00356) USER MOD Single : A 67 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= 0.0974 (180deg=-0.143) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc=-0.00323 (180deg=-0.0508) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 98:sc= 0.191 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.65) USER MOD Single : A 97 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-2.6) USER MOD Single : A 98 HIS : no HE2:sc= -0.94 X(o=-0.94,f=-1.4) USER MOD Single : A 99 HIS : no HD1:sc= -0.0923 K(o=-0.092,f=-0.64) USER MOD Single : A 100 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.024) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.184 -18.533 10.807 1.00 31.53 N ATOM 2 CA MET A 1 -8.091 -18.858 9.845 1.00 71.24 C ATOM 3 C MET A 1 -6.727 -18.962 10.560 1.00 54.13 C ATOM 4 O MET A 1 -6.619 -18.669 11.756 1.00 14.40 O ATOM 5 CB MET A 1 -8.028 -17.798 8.703 1.00 1.33 C ATOM 6 CG MET A 1 -7.600 -16.382 9.137 1.00 54.24 C ATOM 7 SD MET A 1 -7.495 -15.223 7.752 1.00 61.14 S ATOM 8 CE MET A 1 -6.259 -15.993 6.702 1.00 71.01 C ATOM 0 H1 MET A 1 -9.841 -19.336 10.870 1.00 31.53 H new ATOM 0 H2 MET A 1 -8.776 -18.345 11.745 1.00 31.53 H new ATOM 0 H3 MET A 1 -9.697 -17.691 10.477 1.00 31.53 H new ATOM 0 HA MET A 1 -8.315 -19.830 9.405 1.00 71.24 H new ATOM 0 HB2 MET A 1 -7.334 -18.151 7.941 1.00 1.33 H new ATOM 0 HB3 MET A 1 -9.010 -17.735 8.235 1.00 1.33 H new ATOM 0 HG2 MET A 1 -8.312 -16.001 9.870 1.00 54.24 H new ATOM 0 HG3 MET A 1 -6.631 -16.437 9.633 1.00 54.24 H new ATOM 0 HE1 MET A 1 -5.843 -15.248 6.023 1.00 71.01 H new ATOM 0 HE2 MET A 1 -5.462 -16.406 7.321 1.00 71.01 H new ATOM 0 HE3 MET A 1 -6.720 -16.793 6.124 1.00 71.01 H new ATOM 20 N GLN A 2 -5.691 -19.392 9.812 1.00 22.22 N ATOM 21 CA GLN A 2 -4.300 -19.415 10.311 1.00 52.25 C ATOM 22 C GLN A 2 -3.756 -17.982 10.458 1.00 21.13 C ATOM 23 O GLN A 2 -3.847 -17.190 9.514 1.00 0.41 O ATOM 24 CB GLN A 2 -3.378 -20.223 9.355 1.00 3.05 C ATOM 25 CG GLN A 2 -3.773 -21.699 9.166 1.00 43.11 C ATOM 26 CD GLN A 2 -3.825 -22.497 10.475 1.00 41.44 C ATOM 27 OE1 GLN A 2 -4.867 -22.606 11.115 1.00 14.12 O ATOM 28 NE2 GLN A 2 -2.694 -23.031 10.901 1.00 31.00 N ATOM 0 H GLN A 2 -5.792 -19.730 8.855 1.00 22.22 H new ATOM 0 HA GLN A 2 -4.306 -19.901 11.287 1.00 52.25 H new ATOM 0 HB2 GLN A 2 -3.374 -19.736 8.380 1.00 3.05 H new ATOM 0 HB3 GLN A 2 -2.358 -20.181 9.737 1.00 3.05 H new ATOM 0 HG2 GLN A 2 -4.749 -21.746 8.684 1.00 43.11 H new ATOM 0 HG3 GLN A 2 -3.061 -22.173 8.490 1.00 43.11 H new ATOM 0 HE21 GLN A 2 -1.842 -22.926 10.351 1.00 31.00 H new ATOM 0 HE22 GLN A 2 -2.673 -23.548 11.780 1.00 31.00 H new ATOM 37 N GLU A 3 -3.190 -17.667 11.639 1.00 54.05 N ATOM 38 CA GLU A 3 -2.526 -16.367 11.896 1.00 43.30 C ATOM 39 C GLU A 3 -1.267 -16.193 11.019 1.00 63.12 C ATOM 40 O GLU A 3 -0.861 -15.075 10.736 1.00 14.44 O ATOM 41 CB GLU A 3 -2.142 -16.243 13.387 1.00 62.31 C ATOM 42 CG GLU A 3 -3.336 -16.230 14.362 1.00 24.03 C ATOM 43 CD GLU A 3 -2.901 -16.241 15.838 1.00 61.22 C ATOM 44 OE1 GLU A 3 -2.449 -15.188 16.345 1.00 65.12 O ATOM 45 OE2 GLU A 3 -2.986 -17.304 16.488 1.00 72.43 O ATOM 0 H GLU A 3 -3.178 -18.299 12.439 1.00 54.05 H new ATOM 0 HA GLU A 3 -3.235 -15.580 11.638 1.00 43.30 H new ATOM 0 HB2 GLU A 3 -1.486 -17.073 13.649 1.00 62.31 H new ATOM 0 HB3 GLU A 3 -1.568 -15.327 13.525 1.00 62.31 H new ATOM 0 HG2 GLU A 3 -3.943 -15.345 14.174 1.00 24.03 H new ATOM 0 HG3 GLU A 3 -3.967 -17.097 14.168 1.00 24.03 H new ATOM 52 N GLU A 4 -0.664 -17.328 10.630 1.00 12.44 N ATOM 53 CA GLU A 4 0.450 -17.396 9.660 1.00 32.11 C ATOM 54 C GLU A 4 0.044 -16.757 8.302 1.00 63.22 C ATOM 55 O GLU A 4 0.725 -15.864 7.786 1.00 42.23 O ATOM 56 CB GLU A 4 0.845 -18.886 9.463 1.00 2.42 C ATOM 57 CG GLU A 4 1.995 -19.141 8.467 1.00 11.25 C ATOM 58 CD GLU A 4 2.275 -20.637 8.258 1.00 32.43 C ATOM 59 OE1 GLU A 4 3.014 -21.232 9.066 1.00 4.21 O ATOM 60 OE2 GLU A 4 1.730 -21.236 7.302 1.00 34.13 O ATOM 0 H GLU A 4 -0.940 -18.243 10.985 1.00 12.44 H new ATOM 0 HA GLU A 4 1.301 -16.834 10.045 1.00 32.11 H new ATOM 0 HB2 GLU A 4 1.127 -19.300 10.431 1.00 2.42 H new ATOM 0 HB3 GLU A 4 -0.034 -19.435 9.125 1.00 2.42 H new ATOM 0 HG2 GLU A 4 1.749 -18.684 7.509 1.00 11.25 H new ATOM 0 HG3 GLU A 4 2.900 -18.653 8.830 1.00 11.25 H new ATOM 67 N ARG A 5 -1.098 -17.220 7.759 1.00 54.04 N ATOM 68 CA ARG A 5 -1.650 -16.723 6.478 1.00 74.25 C ATOM 69 C ARG A 5 -2.258 -15.312 6.615 1.00 25.10 C ATOM 70 O ARG A 5 -2.218 -14.533 5.666 1.00 34.21 O ATOM 71 CB ARG A 5 -2.714 -17.712 5.930 1.00 35.13 C ATOM 72 CG ARG A 5 -2.150 -19.079 5.482 1.00 52.31 C ATOM 73 CD ARG A 5 -3.243 -20.010 4.929 1.00 43.52 C ATOM 74 NE ARG A 5 -2.684 -21.248 4.354 1.00 62.41 N ATOM 75 CZ ARG A 5 -3.130 -22.465 4.565 1.00 32.11 C ATOM 76 NH1 ARG A 5 -4.080 -22.699 5.419 1.00 62.33 N ATOM 77 NH2 ARG A 5 -2.604 -23.454 3.927 1.00 34.55 N ATOM 0 H ARG A 5 -1.665 -17.948 8.193 1.00 54.04 H new ATOM 0 HA ARG A 5 -0.821 -16.655 5.773 1.00 74.25 H new ATOM 0 HB2 ARG A 5 -3.467 -17.879 6.700 1.00 35.13 H new ATOM 0 HB3 ARG A 5 -3.221 -17.248 5.084 1.00 35.13 H new ATOM 0 HG2 ARG A 5 -1.389 -18.922 4.718 1.00 52.31 H new ATOM 0 HG3 ARG A 5 -1.659 -19.561 6.327 1.00 52.31 H new ATOM 0 HD2 ARG A 5 -3.939 -20.265 5.728 1.00 43.52 H new ATOM 0 HD3 ARG A 5 -3.814 -19.483 4.165 1.00 43.52 H new ATOM 0 HE ARG A 5 -1.878 -21.150 3.737 1.00 62.41 H new ATOM 0 HH11 ARG A 5 -4.496 -21.929 5.943 1.00 62.33 H new ATOM 0 HH12 ARG A 5 -4.410 -23.653 5.566 1.00 62.33 H new ATOM 0 HH21 ARG A 5 -1.847 -23.288 3.264 1.00 34.55 H new ATOM 0 HH22 ARG A 5 -2.945 -24.402 4.085 1.00 34.55 H new ATOM 91 N LYS A 6 -2.832 -14.992 7.792 1.00 50.14 N ATOM 92 CA LYS A 6 -3.412 -13.653 8.054 1.00 22.54 C ATOM 93 C LYS A 6 -2.294 -12.595 8.163 1.00 44.31 C ATOM 94 O LYS A 6 -2.470 -11.466 7.718 1.00 55.21 O ATOM 95 CB LYS A 6 -4.315 -13.675 9.331 1.00 72.22 C ATOM 96 CG LYS A 6 -5.263 -12.443 9.501 1.00 2.42 C ATOM 97 CD LYS A 6 -4.584 -11.187 10.120 1.00 22.45 C ATOM 98 CE LYS A 6 -5.397 -9.900 9.908 1.00 24.44 C ATOM 99 NZ LYS A 6 -4.757 -8.716 10.551 1.00 73.41 N ATOM 0 H LYS A 6 -2.908 -15.639 8.577 1.00 50.14 H new ATOM 0 HA LYS A 6 -4.049 -13.379 7.213 1.00 22.54 H new ATOM 0 HB2 LYS A 6 -4.922 -14.580 9.311 1.00 72.22 H new ATOM 0 HB3 LYS A 6 -3.673 -13.742 10.209 1.00 72.22 H new ATOM 0 HG2 LYS A 6 -5.670 -12.177 8.526 1.00 2.42 H new ATOM 0 HG3 LYS A 6 -6.105 -12.732 10.130 1.00 2.42 H new ATOM 0 HD2 LYS A 6 -4.440 -11.348 11.188 1.00 22.45 H new ATOM 0 HD3 LYS A 6 -3.594 -11.062 9.681 1.00 22.45 H new ATOM 0 HE2 LYS A 6 -5.509 -9.715 8.840 1.00 24.44 H new ATOM 0 HE3 LYS A 6 -6.399 -10.034 10.315 1.00 24.44 H new ATOM 0 HZ1 LYS A 6 -5.406 -8.311 11.256 1.00 73.41 H new ATOM 0 HZ2 LYS A 6 -3.876 -9.009 11.019 1.00 73.41 H new ATOM 0 HZ3 LYS A 6 -4.543 -8.001 9.827 1.00 73.41 H new ATOM 113 N LYS A 7 -1.142 -12.991 8.738 1.00 35.43 N ATOM 114 CA LYS A 7 0.025 -12.100 8.935 1.00 55.32 C ATOM 115 C LYS A 7 0.602 -11.610 7.583 1.00 12.14 C ATOM 116 O LYS A 7 1.257 -10.574 7.527 1.00 31.32 O ATOM 117 CB LYS A 7 1.117 -12.786 9.794 1.00 35.10 C ATOM 118 CG LYS A 7 2.063 -11.785 10.487 1.00 42.34 C ATOM 119 CD LYS A 7 3.038 -12.449 11.484 1.00 5.51 C ATOM 120 CE LYS A 7 3.753 -11.410 12.362 1.00 43.42 C ATOM 121 NZ LYS A 7 4.490 -10.401 11.564 1.00 13.22 N ATOM 0 H LYS A 7 -0.991 -13.940 9.081 1.00 35.43 H new ATOM 0 HA LYS A 7 -0.324 -11.222 9.479 1.00 55.32 H new ATOM 0 HB2 LYS A 7 0.638 -13.407 10.551 1.00 35.10 H new ATOM 0 HB3 LYS A 7 1.704 -13.451 9.161 1.00 35.10 H new ATOM 0 HG2 LYS A 7 2.637 -11.255 9.728 1.00 42.34 H new ATOM 0 HG3 LYS A 7 1.468 -11.040 11.015 1.00 42.34 H new ATOM 0 HD2 LYS A 7 2.490 -13.146 12.119 1.00 5.51 H new ATOM 0 HD3 LYS A 7 3.778 -13.032 10.935 1.00 5.51 H new ATOM 0 HE2 LYS A 7 3.020 -10.905 12.992 1.00 43.42 H new ATOM 0 HE3 LYS A 7 4.449 -11.920 13.029 1.00 43.42 H new ATOM 0 HZ1 LYS A 7 5.049 -9.797 12.199 1.00 13.22 H new ATOM 0 HZ2 LYS A 7 5.125 -10.883 10.896 1.00 13.22 H new ATOM 0 HZ3 LYS A 7 3.813 -9.814 11.036 1.00 13.22 H new ATOM 135 N LEU A 8 0.394 -12.415 6.524 1.00 75.13 N ATOM 136 CA LEU A 8 0.649 -12.014 5.116 1.00 74.22 C ATOM 137 C LEU A 8 -0.129 -10.707 4.781 1.00 20.22 C ATOM 138 O LEU A 8 0.465 -9.722 4.346 1.00 64.44 O ATOM 139 CB LEU A 8 0.231 -13.198 4.182 1.00 50.24 C ATOM 140 CG LEU A 8 0.743 -13.209 2.698 1.00 3.35 C ATOM 141 CD1 LEU A 8 0.499 -14.597 2.060 1.00 51.12 C ATOM 142 CD2 LEU A 8 0.107 -12.102 1.815 1.00 50.30 C ATOM 0 H LEU A 8 0.043 -13.368 6.615 1.00 75.13 H new ATOM 0 HA LEU A 8 1.707 -11.803 4.963 1.00 74.22 H new ATOM 0 HB2 LEU A 8 0.564 -14.123 4.653 1.00 50.24 H new ATOM 0 HB3 LEU A 8 -0.858 -13.228 4.155 1.00 50.24 H new ATOM 0 HG LEU A 8 1.811 -12.997 2.741 1.00 3.35 H new ATOM 0 HD11 LEU A 8 0.858 -14.593 1.031 1.00 51.12 H new ATOM 0 HD12 LEU A 8 1.035 -15.358 2.628 1.00 51.12 H new ATOM 0 HD13 LEU A 8 -0.568 -14.820 2.071 1.00 51.12 H new ATOM 0 HD21 LEU A 8 0.507 -12.169 0.803 1.00 50.30 H new ATOM 0 HD22 LEU A 8 -0.975 -12.235 1.788 1.00 50.30 H new ATOM 0 HD23 LEU A 8 0.342 -11.123 2.233 1.00 50.30 H new ATOM 154 N LEU A 9 -1.459 -10.723 5.011 1.00 1.42 N ATOM 155 CA LEU A 9 -2.344 -9.546 4.787 1.00 73.11 C ATOM 156 C LEU A 9 -2.018 -8.401 5.775 1.00 45.44 C ATOM 157 O LEU A 9 -2.077 -7.226 5.432 1.00 2.03 O ATOM 158 CB LEU A 9 -3.849 -9.924 4.936 1.00 53.44 C ATOM 159 CG LEU A 9 -4.453 -10.925 3.897 1.00 34.23 C ATOM 160 CD1 LEU A 9 -4.089 -10.540 2.443 1.00 75.11 C ATOM 161 CD2 LEU A 9 -4.087 -12.391 4.220 1.00 53.20 C ATOM 0 H LEU A 9 -1.954 -11.546 5.356 1.00 1.42 H new ATOM 0 HA LEU A 9 -2.159 -9.209 3.767 1.00 73.11 H new ATOM 0 HB2 LEU A 9 -3.992 -10.346 5.931 1.00 53.44 H new ATOM 0 HB3 LEU A 9 -4.432 -9.004 4.893 1.00 53.44 H new ATOM 0 HG LEU A 9 -5.537 -10.849 3.981 1.00 34.23 H new ATOM 0 HD11 LEU A 9 -4.529 -11.262 1.755 1.00 75.11 H new ATOM 0 HD12 LEU A 9 -4.476 -9.545 2.222 1.00 75.11 H new ATOM 0 HD13 LEU A 9 -3.005 -10.541 2.327 1.00 75.11 H new ATOM 0 HD21 LEU A 9 -4.528 -13.049 3.472 1.00 53.20 H new ATOM 0 HD22 LEU A 9 -3.003 -12.506 4.211 1.00 53.20 H new ATOM 0 HD23 LEU A 9 -4.471 -12.653 5.206 1.00 53.20 H new ATOM 173 N GLU A 10 -1.699 -8.782 7.016 1.00 10.13 N ATOM 174 CA GLU A 10 -1.312 -7.850 8.091 1.00 22.13 C ATOM 175 C GLU A 10 0.058 -7.188 7.798 1.00 31.51 C ATOM 176 O GLU A 10 0.359 -6.106 8.306 1.00 23.24 O ATOM 177 CB GLU A 10 -1.317 -8.578 9.453 1.00 22.12 C ATOM 178 CG GLU A 10 -1.143 -7.650 10.672 1.00 4.12 C ATOM 179 CD GLU A 10 -1.297 -8.389 12.003 1.00 42.31 C ATOM 180 OE1 GLU A 10 -0.291 -8.905 12.529 1.00 42.12 O ATOM 181 OE2 GLU A 10 -2.435 -8.468 12.518 1.00 12.01 O ATOM 0 H GLU A 10 -1.701 -9.759 7.311 1.00 10.13 H new ATOM 0 HA GLU A 10 -2.047 -7.046 8.134 1.00 22.13 H new ATOM 0 HB2 GLU A 10 -2.256 -9.122 9.557 1.00 22.12 H new ATOM 0 HB3 GLU A 10 -0.517 -9.319 9.458 1.00 22.12 H new ATOM 0 HG2 GLU A 10 -0.158 -7.184 10.631 1.00 4.12 H new ATOM 0 HG3 GLU A 10 -1.878 -6.847 10.620 1.00 4.12 H new ATOM 188 N LYS A 11 0.899 -7.870 6.999 1.00 11.34 N ATOM 189 CA LYS A 11 2.138 -7.279 6.470 1.00 1.25 C ATOM 190 C LYS A 11 1.807 -6.134 5.483 1.00 21.14 C ATOM 191 O LYS A 11 2.534 -5.153 5.435 1.00 53.25 O ATOM 192 CB LYS A 11 3.046 -8.345 5.801 1.00 60.22 C ATOM 193 CG LYS A 11 4.408 -7.809 5.290 1.00 60.30 C ATOM 194 CD LYS A 11 5.290 -7.211 6.415 1.00 14.14 C ATOM 195 CE LYS A 11 6.615 -6.632 5.888 1.00 44.24 C ATOM 196 NZ LYS A 11 6.404 -5.486 4.973 1.00 20.35 N ATOM 0 H LYS A 11 0.740 -8.834 6.706 1.00 11.34 H new ATOM 0 HA LYS A 11 2.696 -6.866 7.310 1.00 1.25 H new ATOM 0 HB2 LYS A 11 3.232 -9.145 6.517 1.00 60.22 H new ATOM 0 HB3 LYS A 11 2.507 -8.787 4.963 1.00 60.22 H new ATOM 0 HG2 LYS A 11 4.951 -8.620 4.804 1.00 60.30 H new ATOM 0 HG3 LYS A 11 4.230 -7.046 4.533 1.00 60.30 H new ATOM 0 HD2 LYS A 11 4.734 -6.426 6.928 1.00 14.14 H new ATOM 0 HD3 LYS A 11 5.504 -7.984 7.153 1.00 14.14 H new ATOM 0 HE2 LYS A 11 7.230 -6.313 6.730 1.00 44.24 H new ATOM 0 HE3 LYS A 11 7.168 -7.413 5.367 1.00 44.24 H new ATOM 0 HZ1 LYS A 11 7.323 -5.066 4.725 1.00 20.35 H new ATOM 0 HZ2 LYS A 11 5.929 -5.815 4.109 1.00 20.35 H new ATOM 0 HZ3 LYS A 11 5.812 -4.771 5.443 1.00 20.35 H new ATOM 210 N LEU A 12 0.694 -6.265 4.713 1.00 30.31 N ATOM 211 CA LEU A 12 0.158 -5.138 3.900 1.00 4.32 C ATOM 212 C LEU A 12 -0.249 -3.958 4.810 1.00 3.13 C ATOM 213 O LEU A 12 0.025 -2.826 4.471 1.00 0.43 O ATOM 214 CB LEU A 12 -1.047 -5.540 2.988 1.00 13.23 C ATOM 215 CG LEU A 12 -0.716 -6.329 1.680 1.00 55.24 C ATOM 216 CD1 LEU A 12 0.332 -5.579 0.820 1.00 3.21 C ATOM 217 CD2 LEU A 12 -0.290 -7.782 1.973 1.00 24.21 C ATOM 0 H LEU A 12 0.156 -7.128 4.638 1.00 30.31 H new ATOM 0 HA LEU A 12 0.969 -4.838 3.236 1.00 4.32 H new ATOM 0 HB2 LEU A 12 -1.735 -6.142 3.582 1.00 13.23 H new ATOM 0 HB3 LEU A 12 -1.579 -4.630 2.709 1.00 13.23 H new ATOM 0 HG LEU A 12 -1.634 -6.387 1.095 1.00 55.24 H new ATOM 0 HD11 LEU A 12 0.541 -6.154 -0.082 1.00 3.21 H new ATOM 0 HD12 LEU A 12 -0.058 -4.599 0.544 1.00 3.21 H new ATOM 0 HD13 LEU A 12 1.251 -5.456 1.392 1.00 3.21 H new ATOM 0 HD21 LEU A 12 -0.070 -8.293 1.036 1.00 24.21 H new ATOM 0 HD22 LEU A 12 0.599 -7.780 2.603 1.00 24.21 H new ATOM 0 HD23 LEU A 12 -1.098 -8.301 2.488 1.00 24.21 H new ATOM 229 N GLU A 13 -0.897 -4.243 5.963 1.00 10.40 N ATOM 230 CA GLU A 13 -1.181 -3.203 6.992 1.00 50.42 C ATOM 231 C GLU A 13 0.117 -2.489 7.419 1.00 71.23 C ATOM 232 O GLU A 13 0.175 -1.275 7.397 1.00 54.41 O ATOM 233 CB GLU A 13 -1.879 -3.805 8.242 1.00 64.41 C ATOM 234 CG GLU A 13 -3.293 -4.344 7.996 1.00 24.10 C ATOM 235 CD GLU A 13 -3.938 -4.948 9.257 1.00 53.21 C ATOM 236 OE1 GLU A 13 -4.289 -4.181 10.173 1.00 41.23 O ATOM 237 OE2 GLU A 13 -4.076 -6.190 9.350 1.00 63.11 O ATOM 0 H GLU A 13 -1.233 -5.175 6.208 1.00 10.40 H new ATOM 0 HA GLU A 13 -1.858 -2.480 6.537 1.00 50.42 H new ATOM 0 HB2 GLU A 13 -1.260 -4.614 8.631 1.00 64.41 H new ATOM 0 HB3 GLU A 13 -1.927 -3.040 9.017 1.00 64.41 H new ATOM 0 HG2 GLU A 13 -3.923 -3.536 7.624 1.00 24.10 H new ATOM 0 HG3 GLU A 13 -3.255 -5.104 7.215 1.00 24.10 H new ATOM 244 N LYS A 14 1.159 -3.279 7.751 1.00 53.13 N ATOM 245 CA LYS A 14 2.484 -2.767 8.186 1.00 71.32 C ATOM 246 C LYS A 14 3.126 -1.835 7.129 1.00 34.53 C ATOM 247 O LYS A 14 3.600 -0.749 7.466 1.00 10.42 O ATOM 248 CB LYS A 14 3.434 -3.955 8.498 1.00 54.14 C ATOM 249 CG LYS A 14 4.819 -3.542 9.050 1.00 54.44 C ATOM 250 CD LYS A 14 5.741 -4.746 9.360 1.00 64.05 C ATOM 251 CE LYS A 14 7.097 -4.313 9.951 1.00 54.53 C ATOM 252 NZ LYS A 14 6.946 -3.579 11.237 1.00 41.04 N ATOM 0 H LYS A 14 1.109 -4.297 7.726 1.00 53.13 H new ATOM 0 HA LYS A 14 2.327 -2.175 9.088 1.00 71.32 H new ATOM 0 HB2 LYS A 14 2.950 -4.611 9.222 1.00 54.14 H new ATOM 0 HB3 LYS A 14 3.579 -4.537 7.588 1.00 54.14 H new ATOM 0 HG2 LYS A 14 5.312 -2.893 8.326 1.00 54.44 H new ATOM 0 HG3 LYS A 14 4.680 -2.957 9.959 1.00 54.44 H new ATOM 0 HD2 LYS A 14 5.239 -5.413 10.061 1.00 64.05 H new ATOM 0 HD3 LYS A 14 5.911 -5.314 8.446 1.00 64.05 H new ATOM 0 HE2 LYS A 14 7.719 -5.194 10.109 1.00 54.53 H new ATOM 0 HE3 LYS A 14 7.618 -3.679 9.233 1.00 54.53 H new ATOM 0 HZ1 LYS A 14 7.877 -3.472 11.687 1.00 41.04 H new ATOM 0 HZ2 LYS A 14 6.540 -2.639 11.055 1.00 41.04 H new ATOM 0 HZ3 LYS A 14 6.315 -4.112 11.869 1.00 41.04 H new ATOM 266 N ILE A 15 3.105 -2.279 5.852 1.00 4.24 N ATOM 267 CA ILE A 15 3.600 -1.478 4.703 1.00 22.02 C ATOM 268 C ILE A 15 2.802 -0.165 4.602 1.00 0.24 C ATOM 269 O ILE A 15 3.379 0.899 4.562 1.00 34.22 O ATOM 270 CB ILE A 15 3.475 -2.262 3.331 1.00 54.13 C ATOM 271 CG1 ILE A 15 4.246 -3.617 3.375 1.00 71.25 C ATOM 272 CG2 ILE A 15 3.969 -1.403 2.126 1.00 73.12 C ATOM 273 CD1 ILE A 15 3.918 -4.564 2.232 1.00 61.21 C ATOM 0 H ILE A 15 2.747 -3.197 5.587 1.00 4.24 H new ATOM 0 HA ILE A 15 4.655 -1.273 4.882 1.00 22.02 H new ATOM 0 HB ILE A 15 2.415 -2.472 3.186 1.00 54.13 H new ATOM 0 HG12 ILE A 15 5.317 -3.412 3.365 1.00 71.25 H new ATOM 0 HG13 ILE A 15 4.026 -4.116 4.319 1.00 71.25 H new ATOM 0 HG21 ILE A 15 3.867 -1.976 1.204 1.00 73.12 H new ATOM 0 HG22 ILE A 15 3.370 -0.495 2.057 1.00 73.12 H new ATOM 0 HG23 ILE A 15 5.016 -1.137 2.274 1.00 73.12 H new ATOM 0 HD11 ILE A 15 4.498 -5.480 2.341 1.00 61.21 H new ATOM 0 HD12 ILE A 15 2.855 -4.803 2.251 1.00 61.21 H new ATOM 0 HD13 ILE A 15 4.166 -4.088 1.283 1.00 61.21 H new ATOM 285 N LEU A 16 1.468 -0.290 4.624 1.00 13.23 N ATOM 286 CA LEU A 16 0.513 0.838 4.490 1.00 51.31 C ATOM 287 C LEU A 16 0.616 1.850 5.663 1.00 43.44 C ATOM 288 O LEU A 16 0.345 3.030 5.477 1.00 25.23 O ATOM 289 CB LEU A 16 -0.938 0.285 4.338 1.00 42.33 C ATOM 290 CG LEU A 16 -1.402 -0.124 2.882 1.00 72.50 C ATOM 291 CD1 LEU A 16 -0.315 -0.887 2.076 1.00 4.12 C ATOM 292 CD2 LEU A 16 -2.717 -0.948 2.941 1.00 71.34 C ATOM 0 H LEU A 16 1.005 -1.192 4.737 1.00 13.23 H new ATOM 0 HA LEU A 16 0.778 1.394 3.591 1.00 51.31 H new ATOM 0 HB2 LEU A 16 -1.037 -0.588 4.983 1.00 42.33 H new ATOM 0 HB3 LEU A 16 -1.629 1.039 4.714 1.00 42.33 H new ATOM 0 HG LEU A 16 -1.581 0.808 2.345 1.00 72.50 H new ATOM 0 HD11 LEU A 16 -0.702 -1.136 1.088 1.00 4.12 H new ATOM 0 HD12 LEU A 16 0.569 -0.258 1.972 1.00 4.12 H new ATOM 0 HD13 LEU A 16 -0.048 -1.803 2.602 1.00 4.12 H new ATOM 0 HD21 LEU A 16 -3.021 -1.221 1.930 1.00 71.34 H new ATOM 0 HD22 LEU A 16 -2.554 -1.852 3.527 1.00 71.34 H new ATOM 0 HD23 LEU A 16 -3.500 -0.350 3.407 1.00 71.34 H new ATOM 304 N ASP A 17 1.014 1.374 6.859 1.00 74.40 N ATOM 305 CA ASP A 17 1.291 2.243 8.036 1.00 63.54 C ATOM 306 C ASP A 17 2.612 3.032 7.848 1.00 72.52 C ATOM 307 O ASP A 17 2.778 4.140 8.377 1.00 2.11 O ATOM 308 CB ASP A 17 1.344 1.395 9.342 1.00 15.30 C ATOM 309 CG ASP A 17 0.006 0.720 9.706 1.00 4.21 C ATOM 310 OD1 ASP A 17 -1.065 1.323 9.476 1.00 14.20 O ATOM 311 OD2 ASP A 17 0.018 -0.420 10.228 1.00 53.15 O ATOM 0 H ASP A 17 1.154 0.381 7.043 1.00 74.40 H new ATOM 0 HA ASP A 17 0.477 2.963 8.121 1.00 63.54 H new ATOM 0 HB2 ASP A 17 2.109 0.626 9.233 1.00 15.30 H new ATOM 0 HB3 ASP A 17 1.652 2.037 10.168 1.00 15.30 H new ATOM 316 N GLU A 18 3.557 2.420 7.113 1.00 42.32 N ATOM 317 CA GLU A 18 4.808 3.083 6.675 1.00 42.33 C ATOM 318 C GLU A 18 4.554 3.987 5.438 1.00 21.34 C ATOM 319 O GLU A 18 5.284 4.947 5.217 1.00 43.43 O ATOM 320 CB GLU A 18 5.889 2.011 6.340 1.00 61.32 C ATOM 321 CG GLU A 18 6.267 1.065 7.499 1.00 51.55 C ATOM 322 CD GLU A 18 6.886 1.791 8.705 1.00 34.35 C ATOM 323 OE1 GLU A 18 8.081 2.148 8.636 1.00 63.32 O ATOM 324 OE2 GLU A 18 6.195 1.999 9.725 1.00 55.03 O ATOM 0 H GLU A 18 3.479 1.451 6.803 1.00 42.32 H new ATOM 0 HA GLU A 18 5.166 3.712 7.490 1.00 42.33 H new ATOM 0 HB2 GLU A 18 5.532 1.409 5.504 1.00 61.32 H new ATOM 0 HB3 GLU A 18 6.791 2.522 6.002 1.00 61.32 H new ATOM 0 HG2 GLU A 18 5.376 0.529 7.826 1.00 51.55 H new ATOM 0 HG3 GLU A 18 6.972 0.318 7.133 1.00 51.55 H new ATOM 331 N VAL A 19 3.519 3.656 4.638 1.00 3.23 N ATOM 332 CA VAL A 19 3.127 4.431 3.430 1.00 3.40 C ATOM 333 C VAL A 19 2.381 5.736 3.817 1.00 62.41 C ATOM 334 O VAL A 19 2.602 6.770 3.197 1.00 2.31 O ATOM 335 CB VAL A 19 2.258 3.549 2.432 1.00 24.12 C ATOM 336 CG1 VAL A 19 1.664 4.373 1.278 1.00 3.31 C ATOM 337 CG2 VAL A 19 3.087 2.376 1.847 1.00 12.01 C ATOM 0 H VAL A 19 2.927 2.843 4.807 1.00 3.23 H new ATOM 0 HA VAL A 19 4.043 4.713 2.910 1.00 3.40 H new ATOM 0 HB VAL A 19 1.434 3.153 3.025 1.00 24.12 H new ATOM 0 HG11 VAL A 19 1.081 3.721 0.628 1.00 3.31 H new ATOM 0 HG12 VAL A 19 1.019 5.153 1.682 1.00 3.31 H new ATOM 0 HG13 VAL A 19 2.470 4.830 0.704 1.00 3.31 H new ATOM 0 HG21 VAL A 19 2.464 1.793 1.169 1.00 12.01 H new ATOM 0 HG22 VAL A 19 3.944 2.772 1.302 1.00 12.01 H new ATOM 0 HG23 VAL A 19 3.437 1.737 2.658 1.00 12.01 H new ATOM 347 N THR A 20 1.521 5.674 4.859 1.00 33.21 N ATOM 348 CA THR A 20 0.768 6.857 5.372 1.00 15.55 C ATOM 349 C THR A 20 1.724 7.952 5.898 1.00 74.13 C ATOM 350 O THR A 20 1.689 9.097 5.444 1.00 14.11 O ATOM 351 CB THR A 20 -0.235 6.466 6.522 1.00 33.01 C ATOM 352 OG1 THR A 20 0.447 5.718 7.547 1.00 71.51 O ATOM 353 CG2 THR A 20 -1.429 5.644 6.008 1.00 34.32 C ATOM 0 H THR A 20 1.326 4.813 5.369 1.00 33.21 H new ATOM 0 HA THR A 20 0.202 7.244 4.525 1.00 15.55 H new ATOM 0 HB THR A 20 -0.622 7.399 6.931 1.00 33.01 H new ATOM 0 HG1 THR A 20 0.837 6.337 8.199 1.00 71.51 H new ATOM 0 HG21 THR A 20 -2.089 5.401 6.841 1.00 34.32 H new ATOM 0 HG22 THR A 20 -1.978 6.225 5.267 1.00 34.32 H new ATOM 0 HG23 THR A 20 -1.067 4.723 5.551 1.00 34.32 H new ATOM 361 N ASP A 21 2.594 7.582 6.846 1.00 50.34 N ATOM 362 CA ASP A 21 3.562 8.523 7.463 1.00 4.04 C ATOM 363 C ASP A 21 4.847 8.691 6.622 1.00 43.14 C ATOM 364 O ASP A 21 5.616 9.634 6.839 1.00 5.33 O ATOM 365 CB ASP A 21 3.874 8.072 8.904 1.00 33.04 C ATOM 366 CG ASP A 21 2.622 8.156 9.792 1.00 22.44 C ATOM 367 OD1 ASP A 21 1.847 7.182 9.847 1.00 31.11 O ATOM 368 OD2 ASP A 21 2.386 9.223 10.399 1.00 32.25 O ATOM 0 H ASP A 21 2.654 6.631 7.211 1.00 50.34 H new ATOM 0 HA ASP A 21 3.101 9.510 7.494 1.00 4.04 H new ATOM 0 HB2 ASP A 21 4.250 7.049 8.895 1.00 33.04 H new ATOM 0 HB3 ASP A 21 4.663 8.698 9.322 1.00 33.04 H new ATOM 373 N GLY A 22 5.066 7.774 5.661 1.00 45.03 N ATOM 374 CA GLY A 22 6.123 7.921 4.642 1.00 20.01 C ATOM 375 C GLY A 22 5.596 8.544 3.342 1.00 73.45 C ATOM 376 O GLY A 22 6.212 8.402 2.278 1.00 42.45 O ATOM 0 H GLY A 22 4.520 6.917 5.569 1.00 45.03 H new ATOM 0 HA2 GLY A 22 6.925 8.542 5.041 1.00 20.01 H new ATOM 0 HA3 GLY A 22 6.554 6.944 4.425 1.00 20.01 H new ATOM 380 N ALA A 23 4.434 9.225 3.436 1.00 30.24 N ATOM 381 CA ALA A 23 3.803 9.947 2.311 1.00 51.30 C ATOM 382 C ALA A 23 4.146 11.452 2.334 1.00 55.22 C ATOM 383 O ALA A 23 4.319 12.031 3.420 1.00 45.04 O ATOM 384 CB ALA A 23 2.285 9.789 2.382 1.00 62.42 C ATOM 0 H ALA A 23 3.902 9.289 4.304 1.00 30.24 H new ATOM 0 HA ALA A 23 4.190 9.517 1.387 1.00 51.30 H new ATOM 0 HB1 ALA A 23 1.824 10.323 1.551 1.00 62.42 H new ATOM 0 HB2 ALA A 23 2.026 8.732 2.322 1.00 62.42 H new ATOM 0 HB3 ALA A 23 1.920 10.199 3.324 1.00 62.42 H new ATOM 390 N PRO A 24 4.250 12.112 1.141 1.00 70.12 N ATOM 391 CA PRO A 24 4.199 13.592 1.046 1.00 10.15 C ATOM 392 C PRO A 24 2.791 14.148 1.436 1.00 55.41 C ATOM 393 O PRO A 24 1.796 13.410 1.399 1.00 54.43 O ATOM 394 CB PRO A 24 4.549 13.864 -0.442 1.00 60.01 C ATOM 395 CG PRO A 24 4.176 12.600 -1.156 1.00 63.02 C ATOM 396 CD PRO A 24 4.487 11.485 -0.191 1.00 22.51 C ATOM 0 HA PRO A 24 4.883 14.090 1.734 1.00 10.15 H new ATOM 0 HB2 PRO A 24 3.993 14.717 -0.830 1.00 60.01 H new ATOM 0 HB3 PRO A 24 5.608 14.091 -0.565 1.00 60.01 H new ATOM 0 HG2 PRO A 24 3.121 12.600 -1.428 1.00 63.02 H new ATOM 0 HG3 PRO A 24 4.744 12.489 -2.080 1.00 63.02 H new ATOM 0 HD2 PRO A 24 3.841 10.622 -0.351 1.00 22.51 H new ATOM 0 HD3 PRO A 24 5.515 11.137 -0.295 1.00 22.51 H new ATOM 404 N ASP A 25 2.740 15.456 1.765 1.00 51.52 N ATOM 405 CA ASP A 25 1.565 16.137 2.385 1.00 3.51 C ATOM 406 C ASP A 25 0.201 15.829 1.696 1.00 41.14 C ATOM 407 O ASP A 25 -0.665 15.163 2.277 1.00 60.21 O ATOM 408 CB ASP A 25 1.818 17.670 2.390 1.00 73.05 C ATOM 409 CG ASP A 25 3.022 18.093 3.245 1.00 31.32 C ATOM 410 OD1 ASP A 25 4.166 17.739 2.893 1.00 62.30 O ATOM 411 OD2 ASP A 25 2.833 18.788 4.268 1.00 51.43 O ATOM 0 H ASP A 25 3.525 16.087 1.607 1.00 51.52 H new ATOM 0 HA ASP A 25 1.476 15.742 3.397 1.00 3.51 H new ATOM 0 HB2 ASP A 25 1.975 18.007 1.365 1.00 73.05 H new ATOM 0 HB3 ASP A 25 0.926 18.176 2.759 1.00 73.05 H new ATOM 416 N GLU A 26 0.049 16.296 0.449 1.00 40.52 N ATOM 417 CA GLU A 26 -1.232 16.233 -0.307 1.00 21.20 C ATOM 418 C GLU A 26 -1.600 14.774 -0.669 1.00 23.41 C ATOM 419 O GLU A 26 -2.748 14.340 -0.518 1.00 13.24 O ATOM 420 CB GLU A 26 -1.090 17.080 -1.602 1.00 35.54 C ATOM 421 CG GLU A 26 -0.480 18.480 -1.371 1.00 44.25 C ATOM 422 CD GLU A 26 -0.171 19.234 -2.673 1.00 14.43 C ATOM 423 OE1 GLU A 26 0.857 18.927 -3.314 1.00 2.05 O ATOM 424 OE2 GLU A 26 -0.945 20.129 -3.064 1.00 61.44 O ATOM 0 H GLU A 26 0.808 16.732 -0.075 1.00 40.52 H new ATOM 0 HA GLU A 26 -2.031 16.631 0.319 1.00 21.20 H new ATOM 0 HB2 GLU A 26 -0.468 16.537 -2.313 1.00 35.54 H new ATOM 0 HB3 GLU A 26 -2.073 17.194 -2.060 1.00 35.54 H new ATOM 0 HG2 GLU A 26 -1.169 19.074 -0.771 1.00 44.25 H new ATOM 0 HG3 GLU A 26 0.438 18.377 -0.793 1.00 44.25 H new ATOM 431 N ALA A 27 -0.575 14.029 -1.115 1.00 12.02 N ATOM 432 CA ALA A 27 -0.706 12.626 -1.564 1.00 64.02 C ATOM 433 C ALA A 27 -1.103 11.660 -0.418 1.00 70.41 C ATOM 434 O ALA A 27 -1.635 10.578 -0.679 1.00 60.25 O ATOM 435 CB ALA A 27 0.606 12.184 -2.220 1.00 4.31 C ATOM 0 H ALA A 27 0.379 14.384 -1.176 1.00 12.02 H new ATOM 0 HA ALA A 27 -1.519 12.582 -2.289 1.00 64.02 H new ATOM 0 HB1 ALA A 27 0.516 11.150 -2.553 1.00 4.31 H new ATOM 0 HB2 ALA A 27 0.818 12.824 -3.076 1.00 4.31 H new ATOM 0 HB3 ALA A 27 1.419 12.263 -1.498 1.00 4.31 H new ATOM 441 N ARG A 28 -0.852 12.070 0.848 1.00 25.11 N ATOM 442 CA ARG A 28 -1.209 11.260 2.037 1.00 42.11 C ATOM 443 C ARG A 28 -2.736 11.022 2.144 1.00 3.32 C ATOM 444 O ARG A 28 -3.150 9.939 2.530 1.00 23.34 O ATOM 445 CB ARG A 28 -0.671 11.901 3.351 1.00 41.15 C ATOM 446 CG ARG A 28 -0.933 11.039 4.614 1.00 53.41 C ATOM 447 CD ARG A 28 -0.364 11.628 5.913 1.00 63.34 C ATOM 448 NE ARG A 28 -0.703 10.762 7.063 1.00 21.32 N ATOM 449 CZ ARG A 28 0.091 10.431 8.055 1.00 71.22 C ATOM 450 NH1 ARG A 28 1.291 10.909 8.157 1.00 73.13 N ATOM 451 NH2 ARG A 28 -0.328 9.601 8.950 1.00 12.33 N ATOM 0 H ARG A 28 -0.403 12.958 1.072 1.00 25.11 H new ATOM 0 HA ARG A 28 -0.728 10.291 1.904 1.00 42.11 H new ATOM 0 HB2 ARG A 28 0.401 12.068 3.251 1.00 41.15 H new ATOM 0 HB3 ARG A 28 -1.135 12.878 3.485 1.00 41.15 H new ATOM 0 HG2 ARG A 28 -2.008 10.905 4.731 1.00 53.41 H new ATOM 0 HG3 ARG A 28 -0.503 10.049 4.459 1.00 53.41 H new ATOM 0 HD2 ARG A 28 0.718 11.728 5.831 1.00 63.34 H new ATOM 0 HD3 ARG A 28 -0.765 12.629 6.072 1.00 63.34 H new ATOM 0 HE ARG A 28 -1.650 10.383 7.088 1.00 21.32 H new ATOM 0 HH11 ARG A 28 1.642 11.561 7.455 1.00 73.13 H new ATOM 0 HH12 ARG A 28 1.885 10.633 8.939 1.00 73.13 H new ATOM 0 HH21 ARG A 28 -1.267 9.209 8.882 1.00 12.33 H new ATOM 0 HH22 ARG A 28 0.280 9.337 9.725 1.00 12.33 H new ATOM 465 N GLU A 29 -3.554 12.031 1.765 1.00 24.24 N ATOM 466 CA GLU A 29 -5.047 11.953 1.840 1.00 60.53 C ATOM 467 C GLU A 29 -5.626 10.744 1.059 1.00 10.30 C ATOM 468 O GLU A 29 -6.623 10.141 1.477 1.00 43.35 O ATOM 469 CB GLU A 29 -5.688 13.253 1.300 1.00 33.41 C ATOM 470 CG GLU A 29 -5.279 14.531 2.050 1.00 34.40 C ATOM 471 CD GLU A 29 -5.929 15.797 1.465 1.00 23.21 C ATOM 472 OE1 GLU A 29 -5.509 16.237 0.370 1.00 73.34 O ATOM 473 OE2 GLU A 29 -6.872 16.342 2.082 1.00 45.23 O ATOM 0 H GLU A 29 -3.210 12.919 1.400 1.00 24.24 H new ATOM 0 HA GLU A 29 -5.292 11.821 2.894 1.00 60.53 H new ATOM 0 HB2 GLU A 29 -5.421 13.364 0.249 1.00 33.41 H new ATOM 0 HB3 GLU A 29 -6.772 13.153 1.345 1.00 33.41 H new ATOM 0 HG2 GLU A 29 -5.558 14.436 3.099 1.00 34.40 H new ATOM 0 HG3 GLU A 29 -4.195 14.636 2.016 1.00 34.40 H new ATOM 480 N ARG A 30 -4.991 10.426 -0.088 1.00 24.20 N ATOM 481 CA ARG A 30 -5.292 9.208 -0.884 1.00 42.51 C ATOM 482 C ARG A 30 -5.137 7.938 -0.025 1.00 15.24 C ATOM 483 O ARG A 30 -6.026 7.097 0.032 1.00 21.54 O ATOM 484 CB ARG A 30 -4.323 9.117 -2.097 1.00 31.15 C ATOM 485 CG ARG A 30 -4.528 10.187 -3.186 1.00 61.42 C ATOM 486 CD ARG A 30 -5.771 9.918 -4.044 1.00 40.31 C ATOM 487 NE ARG A 30 -5.950 10.959 -5.072 1.00 45.35 N ATOM 488 CZ ARG A 30 -6.257 10.765 -6.336 1.00 61.42 C ATOM 489 NH1 ARG A 30 -6.326 9.580 -6.844 1.00 32.51 N ATOM 490 NH2 ARG A 30 -6.443 11.786 -7.101 1.00 10.24 N ATOM 0 H ARG A 30 -4.254 11.004 -0.492 1.00 24.20 H new ATOM 0 HA ARG A 30 -6.322 9.278 -1.232 1.00 42.51 H new ATOM 0 HB2 ARG A 30 -3.299 9.188 -1.729 1.00 31.15 H new ATOM 0 HB3 ARG A 30 -4.430 8.133 -2.553 1.00 31.15 H new ATOM 0 HG2 ARG A 30 -4.619 11.166 -2.716 1.00 61.42 H new ATOM 0 HG3 ARG A 30 -3.648 10.222 -3.828 1.00 61.42 H new ATOM 0 HD2 ARG A 30 -5.680 8.943 -4.523 1.00 40.31 H new ATOM 0 HD3 ARG A 30 -6.654 9.879 -3.406 1.00 40.31 H new ATOM 0 HE ARG A 30 -5.823 11.926 -4.773 1.00 45.35 H new ATOM 0 HH11 ARG A 30 -6.140 8.764 -6.261 1.00 32.51 H new ATOM 0 HH12 ARG A 30 -6.567 9.460 -7.828 1.00 32.51 H new ATOM 0 HH21 ARG A 30 -6.352 12.729 -6.724 1.00 10.24 H new ATOM 0 HH22 ARG A 30 -6.682 11.650 -8.083 1.00 10.24 H new ATOM 504 N ILE A 31 -3.995 7.867 0.672 1.00 71.54 N ATOM 505 CA ILE A 31 -3.579 6.685 1.450 1.00 64.34 C ATOM 506 C ILE A 31 -4.411 6.527 2.750 1.00 3.55 C ATOM 507 O ILE A 31 -4.743 5.416 3.129 1.00 41.21 O ATOM 508 CB ILE A 31 -2.047 6.777 1.795 1.00 14.21 C ATOM 509 CG1 ILE A 31 -1.237 7.111 0.502 1.00 50.41 C ATOM 510 CG2 ILE A 31 -1.541 5.461 2.447 1.00 34.21 C ATOM 511 CD1 ILE A 31 0.184 7.565 0.719 1.00 14.32 C ATOM 0 H ILE A 31 -3.325 8.635 0.714 1.00 71.54 H new ATOM 0 HA ILE A 31 -3.760 5.804 0.834 1.00 64.34 H new ATOM 0 HB ILE A 31 -1.897 7.577 2.520 1.00 14.21 H new ATOM 0 HG12 ILE A 31 -1.223 6.226 -0.134 1.00 50.41 H new ATOM 0 HG13 ILE A 31 -1.768 7.889 -0.046 1.00 50.41 H new ATOM 0 HG21 ILE A 31 -0.479 5.553 2.675 1.00 34.21 H new ATOM 0 HG22 ILE A 31 -2.095 5.274 3.367 1.00 34.21 H new ATOM 0 HG23 ILE A 31 -1.694 4.631 1.757 1.00 34.21 H new ATOM 0 HD11 ILE A 31 0.652 7.769 -0.244 1.00 14.32 H new ATOM 0 HD12 ILE A 31 0.188 8.472 1.324 1.00 14.32 H new ATOM 0 HD13 ILE A 31 0.741 6.783 1.234 1.00 14.32 H new ATOM 523 N GLU A 32 -4.740 7.655 3.409 1.00 13.01 N ATOM 524 CA GLU A 32 -5.576 7.682 4.643 1.00 65.32 C ATOM 525 C GLU A 32 -6.934 6.963 4.415 1.00 24.33 C ATOM 526 O GLU A 32 -7.341 6.096 5.197 1.00 61.32 O ATOM 527 CB GLU A 32 -5.832 9.160 5.081 1.00 1.33 C ATOM 528 CG GLU A 32 -4.573 9.987 5.439 1.00 11.23 C ATOM 529 CD GLU A 32 -3.888 9.550 6.749 1.00 71.10 C ATOM 530 OE1 GLU A 32 -4.254 10.076 7.824 1.00 4.05 O ATOM 531 OE2 GLU A 32 -2.971 8.701 6.714 1.00 34.32 O ATOM 0 H GLU A 32 -4.436 8.580 3.106 1.00 13.01 H new ATOM 0 HA GLU A 32 -5.035 7.155 5.429 1.00 65.32 H new ATOM 0 HB2 GLU A 32 -6.362 9.670 4.277 1.00 1.33 H new ATOM 0 HB3 GLU A 32 -6.496 9.153 5.945 1.00 1.33 H new ATOM 0 HG2 GLU A 32 -3.855 9.909 4.622 1.00 11.23 H new ATOM 0 HG3 GLU A 32 -4.852 11.038 5.520 1.00 11.23 H new ATOM 538 N LYS A 33 -7.603 7.342 3.309 1.00 23.34 N ATOM 539 CA LYS A 33 -8.898 6.766 2.897 1.00 2.21 C ATOM 540 C LYS A 33 -8.745 5.335 2.305 1.00 60.25 C ATOM 541 O LYS A 33 -9.427 4.407 2.741 1.00 22.25 O ATOM 542 CB LYS A 33 -9.581 7.727 1.885 1.00 30.13 C ATOM 543 CG LYS A 33 -10.997 7.295 1.444 1.00 73.32 C ATOM 544 CD LYS A 33 -11.721 8.383 0.617 1.00 15.21 C ATOM 545 CE LYS A 33 -13.105 7.934 0.129 1.00 62.01 C ATOM 546 NZ LYS A 33 -14.023 7.597 1.247 1.00 74.13 N ATOM 0 H LYS A 33 -7.258 8.061 2.673 1.00 23.34 H new ATOM 0 HA LYS A 33 -9.527 6.661 3.781 1.00 2.21 H new ATOM 0 HB2 LYS A 33 -9.640 8.720 2.330 1.00 30.13 H new ATOM 0 HB3 LYS A 33 -8.949 7.811 1.001 1.00 30.13 H new ATOM 0 HG2 LYS A 33 -10.927 6.382 0.853 1.00 73.32 H new ATOM 0 HG3 LYS A 33 -11.592 7.059 2.326 1.00 73.32 H new ATOM 0 HD2 LYS A 33 -11.828 9.283 1.223 1.00 15.21 H new ATOM 0 HD3 LYS A 33 -11.106 8.649 -0.243 1.00 15.21 H new ATOM 0 HE2 LYS A 33 -13.548 8.726 -0.474 1.00 62.01 H new ATOM 0 HE3 LYS A 33 -12.993 7.065 -0.519 1.00 62.01 H new ATOM 0 HZ1 LYS A 33 -14.967 7.382 0.868 1.00 74.13 H new ATOM 0 HZ2 LYS A 33 -13.658 6.768 1.758 1.00 74.13 H new ATOM 0 HZ3 LYS A 33 -14.087 8.405 1.899 1.00 74.13 H new ATOM 560 N LEU A 34 -7.824 5.168 1.329 1.00 64.11 N ATOM 561 CA LEU A 34 -7.689 3.906 0.546 1.00 23.31 C ATOM 562 C LEU A 34 -7.126 2.730 1.385 1.00 52.22 C ATOM 563 O LEU A 34 -7.666 1.623 1.333 1.00 71.34 O ATOM 564 CB LEU A 34 -6.816 4.121 -0.718 1.00 52.33 C ATOM 565 CG LEU A 34 -6.724 2.902 -1.695 1.00 30.41 C ATOM 566 CD1 LEU A 34 -8.122 2.486 -2.216 1.00 3.24 C ATOM 567 CD2 LEU A 34 -5.752 3.189 -2.864 1.00 43.44 C ATOM 0 H LEU A 34 -7.158 5.892 1.060 1.00 64.11 H new ATOM 0 HA LEU A 34 -8.699 3.632 0.242 1.00 23.31 H new ATOM 0 HB2 LEU A 34 -7.210 4.975 -1.268 1.00 52.33 H new ATOM 0 HB3 LEU A 34 -5.807 4.385 -0.400 1.00 52.33 H new ATOM 0 HG LEU A 34 -6.321 2.061 -1.130 1.00 30.41 H new ATOM 0 HD11 LEU A 34 -8.021 1.637 -2.892 1.00 3.24 H new ATOM 0 HD12 LEU A 34 -8.756 2.206 -1.374 1.00 3.24 H new ATOM 0 HD13 LEU A 34 -8.575 3.322 -2.749 1.00 3.24 H new ATOM 0 HD21 LEU A 34 -5.711 2.323 -3.524 1.00 43.44 H new ATOM 0 HD22 LEU A 34 -6.103 4.056 -3.424 1.00 43.44 H new ATOM 0 HD23 LEU A 34 -4.757 3.391 -2.468 1.00 43.44 H new ATOM 579 N ALA A 35 -6.033 2.975 2.138 1.00 13.04 N ATOM 580 CA ALA A 35 -5.414 1.950 3.032 1.00 4.12 C ATOM 581 C ALA A 35 -6.406 1.459 4.115 1.00 42.12 C ATOM 582 O ALA A 35 -6.350 0.302 4.534 1.00 44.12 O ATOM 583 CB ALA A 35 -4.135 2.493 3.690 1.00 53.32 C ATOM 0 H ALA A 35 -5.553 3.875 2.150 1.00 13.04 H new ATOM 0 HA ALA A 35 -5.151 1.097 2.407 1.00 4.12 H new ATOM 0 HB1 ALA A 35 -3.705 1.727 4.335 1.00 53.32 H new ATOM 0 HB2 ALA A 35 -3.415 2.763 2.918 1.00 53.32 H new ATOM 0 HB3 ALA A 35 -4.377 3.374 4.284 1.00 53.32 H new ATOM 589 N LYS A 36 -7.304 2.370 4.543 1.00 2.45 N ATOM 590 CA LYS A 36 -8.446 2.051 5.430 1.00 55.24 C ATOM 591 C LYS A 36 -9.407 1.032 4.755 1.00 23.01 C ATOM 592 O LYS A 36 -9.738 0.002 5.351 1.00 53.13 O ATOM 593 CB LYS A 36 -9.194 3.363 5.786 1.00 50.25 C ATOM 594 CG LYS A 36 -10.481 3.198 6.630 1.00 10.23 C ATOM 595 CD LYS A 36 -11.168 4.556 6.914 1.00 30.33 C ATOM 596 CE LYS A 36 -12.484 4.414 7.704 1.00 20.04 C ATOM 597 NZ LYS A 36 -13.106 5.730 7.998 1.00 42.15 N ATOM 0 H LYS A 36 -7.258 3.355 4.282 1.00 2.45 H new ATOM 0 HA LYS A 36 -8.072 1.590 6.344 1.00 55.24 H new ATOM 0 HB2 LYS A 36 -8.508 4.014 6.328 1.00 50.25 H new ATOM 0 HB3 LYS A 36 -9.453 3.874 4.859 1.00 50.25 H new ATOM 0 HG2 LYS A 36 -11.177 2.543 6.106 1.00 10.23 H new ATOM 0 HG3 LYS A 36 -10.235 2.712 7.574 1.00 10.23 H new ATOM 0 HD2 LYS A 36 -10.483 5.193 7.473 1.00 30.33 H new ATOM 0 HD3 LYS A 36 -11.371 5.058 5.968 1.00 30.33 H new ATOM 0 HE2 LYS A 36 -13.184 3.802 7.134 1.00 20.04 H new ATOM 0 HE3 LYS A 36 -12.290 3.889 8.639 1.00 20.04 H new ATOM 0 HZ1 LYS A 36 -13.988 5.586 8.530 1.00 42.15 H new ATOM 0 HZ2 LYS A 36 -12.450 6.305 8.564 1.00 42.15 H new ATOM 0 HZ3 LYS A 36 -13.316 6.222 7.106 1.00 42.15 H new ATOM 611 N ASP A 37 -9.800 1.325 3.491 1.00 4.32 N ATOM 612 CA ASP A 37 -10.691 0.457 2.672 1.00 11.25 C ATOM 613 C ASP A 37 -10.095 -0.951 2.454 1.00 3.00 C ATOM 614 O ASP A 37 -10.828 -1.946 2.396 1.00 32.12 O ATOM 615 CB ASP A 37 -10.975 1.116 1.295 1.00 40.51 C ATOM 616 CG ASP A 37 -11.586 2.520 1.410 1.00 43.13 C ATOM 617 OD1 ASP A 37 -12.448 2.733 2.288 1.00 2.02 O ATOM 618 OD2 ASP A 37 -11.218 3.418 0.624 1.00 71.21 O ATOM 0 H ASP A 37 -9.508 2.174 3.006 1.00 4.32 H new ATOM 0 HA ASP A 37 -11.622 0.346 3.228 1.00 11.25 H new ATOM 0 HB2 ASP A 37 -10.045 1.177 0.730 1.00 40.51 H new ATOM 0 HB3 ASP A 37 -11.652 0.478 0.727 1.00 40.51 H new ATOM 623 N VAL A 38 -8.756 -1.006 2.324 1.00 24.41 N ATOM 624 CA VAL A 38 -8.002 -2.277 2.245 1.00 3.44 C ATOM 625 C VAL A 38 -8.210 -3.100 3.543 1.00 42.14 C ATOM 626 O VAL A 38 -8.601 -4.263 3.480 1.00 42.24 O ATOM 627 CB VAL A 38 -6.457 -2.032 1.984 1.00 50.02 C ATOM 628 CG1 VAL A 38 -5.653 -3.360 1.935 1.00 34.44 C ATOM 629 CG2 VAL A 38 -6.227 -1.210 0.688 1.00 71.12 C ATOM 0 H VAL A 38 -8.166 -0.176 2.271 1.00 24.41 H new ATOM 0 HA VAL A 38 -8.389 -2.841 1.396 1.00 3.44 H new ATOM 0 HB VAL A 38 -6.085 -1.454 2.830 1.00 50.02 H new ATOM 0 HG11 VAL A 38 -4.601 -3.142 1.754 1.00 34.44 H new ATOM 0 HG12 VAL A 38 -5.757 -3.883 2.885 1.00 34.44 H new ATOM 0 HG13 VAL A 38 -6.037 -3.988 1.131 1.00 34.44 H new ATOM 0 HG21 VAL A 38 -5.158 -1.059 0.538 1.00 71.12 H new ATOM 0 HG22 VAL A 38 -6.641 -1.750 -0.164 1.00 71.12 H new ATOM 0 HG23 VAL A 38 -6.721 -0.242 0.778 1.00 71.12 H new ATOM 639 N LYS A 39 -8.016 -2.442 4.711 1.00 64.21 N ATOM 640 CA LYS A 39 -8.149 -3.084 6.047 1.00 62.41 C ATOM 641 C LYS A 39 -9.606 -3.557 6.343 1.00 62.13 C ATOM 642 O LYS A 39 -9.806 -4.529 7.079 1.00 43.45 O ATOM 643 CB LYS A 39 -7.644 -2.116 7.154 1.00 62.43 C ATOM 644 CG LYS A 39 -6.156 -1.698 6.997 1.00 63.41 C ATOM 645 CD LYS A 39 -5.701 -0.653 8.042 1.00 41.53 C ATOM 646 CE LYS A 39 -4.268 -0.140 7.788 1.00 10.34 C ATOM 647 NZ LYS A 39 -3.839 0.836 8.826 1.00 1.40 N ATOM 0 H LYS A 39 -7.764 -1.455 4.757 1.00 64.21 H new ATOM 0 HA LYS A 39 -7.529 -3.980 6.042 1.00 62.41 H new ATOM 0 HB2 LYS A 39 -8.265 -1.220 7.150 1.00 62.43 H new ATOM 0 HB3 LYS A 39 -7.777 -2.591 8.126 1.00 62.43 H new ATOM 0 HG2 LYS A 39 -5.526 -2.584 7.081 1.00 63.41 H new ATOM 0 HG3 LYS A 39 -6.003 -1.292 5.997 1.00 63.41 H new ATOM 0 HD2 LYS A 39 -6.392 0.190 8.031 1.00 41.53 H new ATOM 0 HD3 LYS A 39 -5.753 -1.094 9.037 1.00 41.53 H new ATOM 0 HE2 LYS A 39 -3.577 -0.983 7.774 1.00 10.34 H new ATOM 0 HE3 LYS A 39 -4.219 0.329 6.805 1.00 10.34 H new ATOM 0 HZ1 LYS A 39 -2.801 0.839 8.892 1.00 1.40 H new ATOM 0 HZ2 LYS A 39 -4.172 1.787 8.567 1.00 1.40 H new ATOM 0 HZ3 LYS A 39 -4.244 0.566 9.745 1.00 1.40 H new ATOM 661 N ASP A 40 -10.612 -2.857 5.767 1.00 5.35 N ATOM 662 CA ASP A 40 -12.033 -3.297 5.814 1.00 73.11 C ATOM 663 C ASP A 40 -12.221 -4.673 5.126 1.00 71.11 C ATOM 664 O ASP A 40 -12.915 -5.557 5.636 1.00 5.42 O ATOM 665 CB ASP A 40 -12.963 -2.248 5.139 1.00 72.43 C ATOM 666 CG ASP A 40 -13.149 -0.975 5.974 1.00 41.33 C ATOM 667 OD1 ASP A 40 -13.875 -1.029 6.987 1.00 24.14 O ATOM 668 OD2 ASP A 40 -12.603 0.088 5.619 1.00 61.21 O ATOM 0 H ASP A 40 -10.468 -1.982 5.262 1.00 5.35 H new ATOM 0 HA ASP A 40 -12.306 -3.392 6.865 1.00 73.11 H new ATOM 0 HB2 ASP A 40 -12.550 -1.979 4.167 1.00 72.43 H new ATOM 0 HB3 ASP A 40 -13.938 -2.701 4.957 1.00 72.43 H new ATOM 673 N GLU A 41 -11.599 -4.829 3.953 1.00 22.12 N ATOM 674 CA GLU A 41 -11.672 -6.073 3.158 1.00 42.32 C ATOM 675 C GLU A 41 -10.766 -7.198 3.732 1.00 1.41 C ATOM 676 O GLU A 41 -11.023 -8.381 3.498 1.00 32.01 O ATOM 677 CB GLU A 41 -11.384 -5.747 1.672 1.00 4.21 C ATOM 678 CG GLU A 41 -12.379 -4.696 1.096 1.00 12.11 C ATOM 679 CD GLU A 41 -12.281 -4.450 -0.417 1.00 25.32 C ATOM 680 OE1 GLU A 41 -12.152 -5.429 -1.186 1.00 45.22 O ATOM 681 OE2 GLU A 41 -12.385 -3.277 -0.851 1.00 61.11 O ATOM 0 H GLU A 41 -11.029 -4.101 3.522 1.00 22.12 H new ATOM 0 HA GLU A 41 -12.682 -6.478 3.223 1.00 42.32 H new ATOM 0 HB2 GLU A 41 -10.365 -5.371 1.575 1.00 4.21 H new ATOM 0 HB3 GLU A 41 -11.444 -6.662 1.083 1.00 4.21 H new ATOM 0 HG2 GLU A 41 -13.394 -5.017 1.329 1.00 12.11 H new ATOM 0 HG3 GLU A 41 -12.218 -3.749 1.611 1.00 12.11 H new ATOM 688 N LEU A 42 -9.704 -6.809 4.475 1.00 13.33 N ATOM 689 CA LEU A 42 -8.893 -7.751 5.302 1.00 31.33 C ATOM 690 C LEU A 42 -9.753 -8.413 6.413 1.00 14.54 C ATOM 691 O LEU A 42 -9.547 -9.586 6.747 1.00 73.53 O ATOM 692 CB LEU A 42 -7.666 -7.026 5.948 1.00 64.03 C ATOM 693 CG LEU A 42 -6.311 -7.100 5.172 1.00 5.45 C ATOM 694 CD1 LEU A 42 -6.389 -6.459 3.784 1.00 21.15 C ATOM 695 CD2 LEU A 42 -5.177 -6.475 6.000 1.00 43.42 C ATOM 0 H LEU A 42 -9.382 -5.842 4.523 1.00 13.33 H new ATOM 0 HA LEU A 42 -8.528 -8.530 4.632 1.00 31.33 H new ATOM 0 HB2 LEU A 42 -7.924 -5.975 6.080 1.00 64.03 H new ATOM 0 HB3 LEU A 42 -7.510 -7.444 6.943 1.00 64.03 H new ATOM 0 HG LEU A 42 -6.093 -8.157 5.016 1.00 5.45 H new ATOM 0 HD11 LEU A 42 -5.420 -6.539 3.291 1.00 21.15 H new ATOM 0 HD12 LEU A 42 -7.143 -6.973 3.188 1.00 21.15 H new ATOM 0 HD13 LEU A 42 -6.659 -5.408 3.883 1.00 21.15 H new ATOM 0 HD21 LEU A 42 -4.243 -6.537 5.442 1.00 43.42 H new ATOM 0 HD22 LEU A 42 -5.409 -5.430 6.205 1.00 43.42 H new ATOM 0 HD23 LEU A 42 -5.074 -7.015 6.941 1.00 43.42 H new ATOM 707 N GLU A 43 -10.677 -7.620 7.004 1.00 2.21 N ATOM 708 CA GLU A 43 -11.655 -8.105 8.017 1.00 40.23 C ATOM 709 C GLU A 43 -12.511 -9.271 7.460 1.00 32.24 C ATOM 710 O GLU A 43 -12.727 -10.284 8.137 1.00 72.04 O ATOM 711 CB GLU A 43 -12.560 -6.920 8.478 1.00 52.34 C ATOM 712 CG GLU A 43 -13.739 -7.281 9.417 1.00 0.20 C ATOM 713 CD GLU A 43 -13.311 -7.913 10.753 1.00 55.43 C ATOM 714 OE1 GLU A 43 -12.773 -7.191 11.617 1.00 32.41 O ATOM 715 OE2 GLU A 43 -13.499 -9.135 10.943 1.00 63.33 O ATOM 0 H GLU A 43 -10.769 -6.626 6.795 1.00 2.21 H new ATOM 0 HA GLU A 43 -11.106 -8.489 8.877 1.00 40.23 H new ATOM 0 HB2 GLU A 43 -11.932 -6.187 8.984 1.00 52.34 H new ATOM 0 HB3 GLU A 43 -12.966 -6.434 7.591 1.00 52.34 H new ATOM 0 HG2 GLU A 43 -14.314 -6.378 9.623 1.00 0.20 H new ATOM 0 HG3 GLU A 43 -14.404 -7.971 8.898 1.00 0.20 H new ATOM 722 N GLU A 44 -12.977 -9.117 6.209 1.00 73.31 N ATOM 723 CA GLU A 44 -13.783 -10.146 5.512 1.00 73.32 C ATOM 724 C GLU A 44 -12.899 -11.209 4.805 1.00 32.31 C ATOM 725 O GLU A 44 -13.406 -12.244 4.370 1.00 61.43 O ATOM 726 CB GLU A 44 -14.747 -9.461 4.516 1.00 11.55 C ATOM 727 CG GLU A 44 -15.712 -8.460 5.190 1.00 21.21 C ATOM 728 CD GLU A 44 -16.764 -7.899 4.227 1.00 44.14 C ATOM 729 OE1 GLU A 44 -17.846 -8.511 4.098 1.00 11.23 O ATOM 730 OE2 GLU A 44 -16.502 -6.865 3.582 1.00 31.22 O ATOM 0 H GLU A 44 -12.809 -8.280 5.650 1.00 73.31 H new ATOM 0 HA GLU A 44 -14.365 -10.685 6.260 1.00 73.32 H new ATOM 0 HB2 GLU A 44 -14.164 -8.938 3.758 1.00 11.55 H new ATOM 0 HB3 GLU A 44 -15.329 -10.225 4.000 1.00 11.55 H new ATOM 0 HG2 GLU A 44 -16.215 -8.953 6.022 1.00 21.21 H new ATOM 0 HG3 GLU A 44 -15.136 -7.635 5.610 1.00 21.21 H new ATOM 737 N GLY A 45 -11.582 -10.944 4.698 1.00 71.51 N ATOM 738 CA GLY A 45 -10.602 -11.936 4.216 1.00 30.45 C ATOM 739 C GLY A 45 -9.922 -11.554 2.896 1.00 2.11 C ATOM 740 O GLY A 45 -8.776 -11.073 2.893 1.00 55.12 O ATOM 0 H GLY A 45 -11.170 -10.043 4.941 1.00 71.51 H new ATOM 0 HA2 GLY A 45 -9.837 -12.075 4.980 1.00 30.45 H new ATOM 0 HA3 GLY A 45 -11.104 -12.895 4.089 1.00 30.45 H new ATOM 744 N ASP A 46 -10.630 -11.773 1.767 1.00 44.02 N ATOM 745 CA ASP A 46 -10.045 -11.657 0.409 1.00 3.42 C ATOM 746 C ASP A 46 -9.878 -10.173 -0.049 1.00 53.23 C ATOM 747 O ASP A 46 -10.832 -9.487 -0.429 1.00 34.13 O ATOM 748 CB ASP A 46 -10.850 -12.510 -0.619 1.00 72.50 C ATOM 749 CG ASP A 46 -12.337 -12.131 -0.729 1.00 31.54 C ATOM 750 OD1 ASP A 46 -13.095 -12.379 0.229 1.00 22.53 O ATOM 751 OD2 ASP A 46 -12.762 -11.611 -1.785 1.00 42.02 O ATOM 0 H ASP A 46 -11.616 -12.033 1.768 1.00 44.02 H new ATOM 0 HA ASP A 46 -9.035 -12.065 0.455 1.00 3.42 H new ATOM 0 HB2 ASP A 46 -10.387 -12.407 -1.600 1.00 72.50 H new ATOM 0 HB3 ASP A 46 -10.775 -13.561 -0.340 1.00 72.50 H new ATOM 756 N ALA A 47 -8.623 -9.698 0.021 1.00 51.01 N ATOM 757 CA ALA A 47 -8.214 -8.346 -0.420 1.00 5.13 C ATOM 758 C ALA A 47 -6.979 -8.434 -1.355 1.00 15.05 C ATOM 759 O ALA A 47 -6.163 -7.512 -1.417 1.00 12.54 O ATOM 760 CB ALA A 47 -7.928 -7.485 0.816 1.00 1.00 C ATOM 0 H ALA A 47 -7.849 -10.249 0.391 1.00 51.01 H new ATOM 0 HA ALA A 47 -9.018 -7.881 -0.991 1.00 5.13 H new ATOM 0 HB1 ALA A 47 -7.626 -6.486 0.502 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -8.828 -7.416 1.428 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -7.127 -7.940 1.399 1.00 1.00 H new ATOM 766 N LYS A 48 -6.880 -9.550 -2.110 1.00 41.02 N ATOM 767 CA LYS A 48 -5.776 -9.794 -3.081 1.00 34.12 C ATOM 768 C LYS A 48 -5.808 -8.729 -4.209 1.00 22.40 C ATOM 769 O LYS A 48 -4.768 -8.168 -4.582 1.00 75.33 O ATOM 770 CB LYS A 48 -5.897 -11.250 -3.641 1.00 5.34 C ATOM 771 CG LYS A 48 -4.663 -11.808 -4.422 1.00 1.33 C ATOM 772 CD LYS A 48 -4.566 -11.337 -5.892 1.00 61.41 C ATOM 773 CE LYS A 48 -3.365 -11.951 -6.640 1.00 0.22 C ATOM 774 NZ LYS A 48 -3.317 -11.516 -8.063 1.00 62.03 N ATOM 0 H LYS A 48 -7.559 -10.310 -2.068 1.00 41.02 H new ATOM 0 HA LYS A 48 -4.811 -9.701 -2.582 1.00 34.12 H new ATOM 0 HB2 LYS A 48 -6.102 -11.920 -2.806 1.00 5.34 H new ATOM 0 HB3 LYS A 48 -6.763 -11.289 -4.301 1.00 5.34 H new ATOM 0 HG2 LYS A 48 -3.754 -11.512 -3.898 1.00 1.33 H new ATOM 0 HG3 LYS A 48 -4.701 -12.897 -4.405 1.00 1.33 H new ATOM 0 HD2 LYS A 48 -5.486 -11.600 -6.414 1.00 61.41 H new ATOM 0 HD3 LYS A 48 -4.486 -10.250 -5.916 1.00 61.41 H new ATOM 0 HE2 LYS A 48 -2.440 -11.662 -6.141 1.00 0.22 H new ATOM 0 HE3 LYS A 48 -3.426 -13.038 -6.594 1.00 0.22 H new ATOM 0 HZ1 LYS A 48 -2.616 -12.087 -8.577 1.00 62.03 H new ATOM 0 HZ2 LYS A 48 -4.253 -11.644 -8.497 1.00 62.03 H new ATOM 0 HZ3 LYS A 48 -3.048 -10.513 -8.110 1.00 62.03 H new ATOM 788 N ASN A 49 -7.025 -8.454 -4.719 1.00 11.32 N ATOM 789 CA ASN A 49 -7.279 -7.387 -5.715 1.00 42.53 C ATOM 790 C ASN A 49 -6.902 -5.991 -5.157 1.00 53.32 C ATOM 791 O ASN A 49 -6.410 -5.137 -5.891 1.00 52.14 O ATOM 792 CB ASN A 49 -8.771 -7.423 -6.144 1.00 24.41 C ATOM 793 CG ASN A 49 -9.163 -6.320 -7.147 1.00 44.51 C ATOM 794 OD1 ASN A 49 -9.007 -6.477 -8.352 1.00 61.23 O ATOM 795 ND2 ASN A 49 -9.690 -5.207 -6.657 1.00 64.13 N ATOM 0 H ASN A 49 -7.865 -8.967 -4.452 1.00 11.32 H new ATOM 0 HA ASN A 49 -6.650 -7.568 -6.586 1.00 42.53 H new ATOM 0 HB2 ASN A 49 -8.988 -8.395 -6.586 1.00 24.41 H new ATOM 0 HB3 ASN A 49 -9.396 -7.331 -5.256 1.00 24.41 H new ATOM 0 HD21 ASN A 49 -9.976 -4.458 -7.287 1.00 64.13 H new ATOM 0 HD22 ASN A 49 -9.810 -5.100 -5.650 1.00 64.13 H new ATOM 802 N MET A 50 -7.137 -5.792 -3.843 1.00 55.11 N ATOM 803 CA MET A 50 -6.839 -4.526 -3.130 1.00 74.41 C ATOM 804 C MET A 50 -5.337 -4.198 -3.097 1.00 24.42 C ATOM 805 O MET A 50 -4.965 -3.032 -3.105 1.00 34.44 O ATOM 806 CB MET A 50 -7.418 -4.565 -1.701 1.00 52.54 C ATOM 807 CG MET A 50 -8.937 -4.656 -1.687 1.00 54.44 C ATOM 808 SD MET A 50 -9.702 -3.223 -2.480 1.00 1.54 S ATOM 809 CE MET A 50 -9.319 -1.940 -1.295 1.00 24.10 C ATOM 0 H MET A 50 -7.542 -6.509 -3.240 1.00 55.11 H new ATOM 0 HA MET A 50 -7.321 -3.726 -3.692 1.00 74.41 H new ATOM 0 HB2 MET A 50 -7.002 -5.420 -1.168 1.00 52.54 H new ATOM 0 HB3 MET A 50 -7.106 -3.670 -1.162 1.00 52.54 H new ATOM 0 HG2 MET A 50 -9.251 -5.566 -2.199 1.00 54.44 H new ATOM 0 HG3 MET A 50 -9.287 -4.732 -0.658 1.00 54.44 H new ATOM 0 HE1 MET A 50 -10.020 -1.114 -1.414 1.00 24.10 H new ATOM 0 HE2 MET A 50 -9.400 -2.342 -0.285 1.00 24.10 H new ATOM 0 HE3 MET A 50 -8.303 -1.581 -1.462 1.00 24.10 H new ATOM 819 N ILE A 51 -4.496 -5.236 -3.063 1.00 73.30 N ATOM 820 CA ILE A 51 -3.023 -5.088 -3.121 1.00 63.34 C ATOM 821 C ILE A 51 -2.585 -4.620 -4.535 1.00 70.32 C ATOM 822 O ILE A 51 -1.724 -3.738 -4.684 1.00 44.41 O ATOM 823 CB ILE A 51 -2.322 -6.450 -2.771 1.00 42.34 C ATOM 824 CG1 ILE A 51 -2.906 -7.045 -1.444 1.00 62.52 C ATOM 825 CG2 ILE A 51 -0.778 -6.289 -2.676 1.00 54.42 C ATOM 826 CD1 ILE A 51 -2.493 -8.474 -1.168 1.00 14.52 C ATOM 0 H ILE A 51 -4.808 -6.205 -2.995 1.00 73.30 H new ATOM 0 HA ILE A 51 -2.723 -4.338 -2.389 1.00 63.34 H new ATOM 0 HB ILE A 51 -2.528 -7.149 -3.582 1.00 42.34 H new ATOM 0 HG12 ILE A 51 -2.589 -6.420 -0.609 1.00 62.52 H new ATOM 0 HG13 ILE A 51 -3.994 -6.995 -1.485 1.00 62.52 H new ATOM 0 HG21 ILE A 51 -0.326 -7.251 -2.432 1.00 54.42 H new ATOM 0 HG22 ILE A 51 -0.389 -5.937 -3.632 1.00 54.42 H new ATOM 0 HG23 ILE A 51 -0.535 -5.566 -1.897 1.00 54.42 H new ATOM 0 HD11 ILE A 51 -2.940 -8.808 -0.232 1.00 14.52 H new ATOM 0 HD12 ILE A 51 -2.833 -9.115 -1.981 1.00 14.52 H new ATOM 0 HD13 ILE A 51 -1.407 -8.531 -1.092 1.00 14.52 H new ATOM 838 N GLU A 52 -3.217 -5.223 -5.558 1.00 31.41 N ATOM 839 CA GLU A 52 -2.965 -4.906 -6.982 1.00 22.04 C ATOM 840 C GLU A 52 -3.365 -3.445 -7.316 1.00 74.23 C ATOM 841 O GLU A 52 -2.593 -2.704 -7.938 1.00 0.34 O ATOM 842 CB GLU A 52 -3.747 -5.899 -7.891 1.00 4.22 C ATOM 843 CG GLU A 52 -3.499 -7.385 -7.555 1.00 41.32 C ATOM 844 CD GLU A 52 -4.186 -8.368 -8.517 1.00 4.24 C ATOM 845 OE1 GLU A 52 -5.414 -8.560 -8.421 1.00 10.52 O ATOM 846 OE2 GLU A 52 -3.498 -8.972 -9.369 1.00 62.32 O ATOM 0 H GLU A 52 -3.921 -5.948 -5.423 1.00 31.41 H new ATOM 0 HA GLU A 52 -1.896 -5.009 -7.169 1.00 22.04 H new ATOM 0 HB2 GLU A 52 -4.814 -5.691 -7.806 1.00 4.22 H new ATOM 0 HB3 GLU A 52 -3.469 -5.721 -8.930 1.00 4.22 H new ATOM 0 HG2 GLU A 52 -2.426 -7.574 -7.564 1.00 41.32 H new ATOM 0 HG3 GLU A 52 -3.849 -7.581 -6.541 1.00 41.32 H new ATOM 853 N LYS A 53 -4.571 -3.042 -6.864 1.00 11.55 N ATOM 854 CA LYS A 53 -5.121 -1.694 -7.154 1.00 60.13 C ATOM 855 C LYS A 53 -4.464 -0.606 -6.266 1.00 45.41 C ATOM 856 O LYS A 53 -4.370 0.555 -6.677 1.00 24.00 O ATOM 857 CB LYS A 53 -6.688 -1.697 -7.061 1.00 51.11 C ATOM 858 CG LYS A 53 -7.318 -2.057 -5.680 1.00 32.22 C ATOM 859 CD LYS A 53 -7.441 -0.871 -4.675 1.00 13.11 C ATOM 860 CE LYS A 53 -8.423 0.210 -5.145 1.00 13.31 C ATOM 861 NZ LYS A 53 -9.816 -0.287 -5.220 1.00 74.20 N ATOM 0 H LYS A 53 -5.184 -3.627 -6.297 1.00 11.55 H new ATOM 0 HA LYS A 53 -4.868 -1.435 -8.182 1.00 60.13 H new ATOM 0 HB2 LYS A 53 -7.046 -0.708 -7.348 1.00 51.11 H new ATOM 0 HB3 LYS A 53 -7.069 -2.401 -7.800 1.00 51.11 H new ATOM 0 HG2 LYS A 53 -8.311 -2.473 -5.849 1.00 32.22 H new ATOM 0 HG3 LYS A 53 -6.718 -2.842 -5.219 1.00 32.22 H new ATOM 0 HD2 LYS A 53 -7.765 -1.254 -3.707 1.00 13.11 H new ATOM 0 HD3 LYS A 53 -6.458 -0.423 -4.528 1.00 13.11 H new ATOM 0 HE2 LYS A 53 -8.379 1.059 -4.462 1.00 13.31 H new ATOM 0 HE3 LYS A 53 -8.117 0.574 -6.126 1.00 13.31 H new ATOM 0 HZ1 LYS A 53 -10.457 0.506 -5.426 1.00 74.20 H new ATOM 0 HZ2 LYS A 53 -9.891 -0.998 -5.975 1.00 74.20 H new ATOM 0 HZ3 LYS A 53 -10.080 -0.718 -4.311 1.00 74.20 H new ATOM 875 N PHE A 54 -4.005 -0.990 -5.042 1.00 13.33 N ATOM 876 CA PHE A 54 -3.248 -0.067 -4.160 1.00 12.14 C ATOM 877 C PHE A 54 -1.883 0.260 -4.791 1.00 44.51 C ATOM 878 O PHE A 54 -1.443 1.397 -4.714 1.00 21.40 O ATOM 879 CB PHE A 54 -3.060 -0.626 -2.716 1.00 1.54 C ATOM 880 CG PHE A 54 -2.479 0.402 -1.718 1.00 51.40 C ATOM 881 CD1 PHE A 54 -1.099 0.552 -1.551 1.00 22.34 C ATOM 882 CD2 PHE A 54 -3.317 1.247 -0.988 1.00 43.22 C ATOM 883 CE1 PHE A 54 -0.583 1.500 -0.687 1.00 43.20 C ATOM 884 CE2 PHE A 54 -2.798 2.193 -0.116 1.00 55.42 C ATOM 885 CZ PHE A 54 -1.432 2.323 0.028 1.00 71.22 C ATOM 0 H PHE A 54 -4.146 -1.921 -4.651 1.00 13.33 H new ATOM 0 HA PHE A 54 -3.839 0.844 -4.067 1.00 12.14 H new ATOM 0 HB2 PHE A 54 -4.023 -0.975 -2.344 1.00 1.54 H new ATOM 0 HB3 PHE A 54 -2.400 -1.493 -2.755 1.00 1.54 H new ATOM 0 HD1 PHE A 54 -0.425 -0.083 -2.106 1.00 22.34 H new ATOM 0 HD2 PHE A 54 -4.387 1.163 -1.104 1.00 43.22 H new ATOM 0 HE1 PHE A 54 0.486 1.598 -0.571 1.00 43.20 H new ATOM 0 HE2 PHE A 54 -3.463 2.828 0.450 1.00 55.42 H new ATOM 0 HZ PHE A 54 -1.027 3.067 0.698 1.00 71.22 H new ATOM 895 N ARG A 55 -1.233 -0.754 -5.414 1.00 55.13 N ATOM 896 CA ARG A 55 0.057 -0.569 -6.134 1.00 60.03 C ATOM 897 C ARG A 55 -0.056 0.525 -7.225 1.00 24.12 C ATOM 898 O ARG A 55 0.833 1.369 -7.356 1.00 65.42 O ATOM 899 CB ARG A 55 0.525 -1.903 -6.792 1.00 24.52 C ATOM 900 CG ARG A 55 1.810 -1.775 -7.659 1.00 75.42 C ATOM 901 CD ARG A 55 2.141 -3.048 -8.456 1.00 11.02 C ATOM 902 NE ARG A 55 3.254 -2.824 -9.402 1.00 73.45 N ATOM 903 CZ ARG A 55 4.506 -3.178 -9.223 1.00 0.35 C ATOM 904 NH1 ARG A 55 4.902 -3.707 -8.123 1.00 71.22 N ATOM 905 NH2 ARG A 55 5.374 -2.976 -10.154 1.00 25.23 N ATOM 0 H ARG A 55 -1.581 -1.713 -5.434 1.00 55.13 H new ATOM 0 HA ARG A 55 0.793 -0.254 -5.394 1.00 60.03 H new ATOM 0 HB2 ARG A 55 0.702 -2.638 -6.007 1.00 24.52 H new ATOM 0 HB3 ARG A 55 -0.282 -2.290 -7.415 1.00 24.52 H new ATOM 0 HG2 ARG A 55 1.690 -0.943 -8.352 1.00 75.42 H new ATOM 0 HG3 ARG A 55 2.653 -1.531 -7.012 1.00 75.42 H new ATOM 0 HD2 ARG A 55 2.404 -3.851 -7.767 1.00 11.02 H new ATOM 0 HD3 ARG A 55 1.257 -3.375 -9.004 1.00 11.02 H new ATOM 0 HE ARG A 55 3.029 -2.350 -10.276 1.00 73.45 H new ATOM 0 HH11 ARG A 55 4.239 -3.861 -7.363 1.00 71.22 H new ATOM 0 HH12 ARG A 55 5.880 -3.973 -8.008 1.00 71.22 H new ATOM 0 HH21 ARG A 55 5.089 -2.541 -11.031 1.00 25.23 H new ATOM 0 HH22 ARG A 55 6.346 -3.251 -10.014 1.00 25.23 H new ATOM 919 N ASP A 56 -1.163 0.485 -7.995 1.00 40.21 N ATOM 920 CA ASP A 56 -1.441 1.453 -9.082 1.00 1.54 C ATOM 921 C ASP A 56 -1.487 2.912 -8.549 1.00 72.03 C ATOM 922 O ASP A 56 -0.745 3.769 -9.022 1.00 3.22 O ATOM 923 CB ASP A 56 -2.776 1.066 -9.777 1.00 3.43 C ATOM 924 CG ASP A 56 -3.208 2.034 -10.895 1.00 42.11 C ATOM 925 OD1 ASP A 56 -2.422 2.256 -11.839 1.00 24.02 O ATOM 926 OD2 ASP A 56 -4.338 2.572 -10.837 1.00 14.24 O ATOM 0 H ASP A 56 -1.892 -0.220 -7.882 1.00 40.21 H new ATOM 0 HA ASP A 56 -0.630 1.411 -9.810 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -2.678 0.065 -10.196 1.00 3.43 H new ATOM 0 HB3 ASP A 56 -3.564 1.021 -9.026 1.00 3.43 H new ATOM 931 N GLU A 57 -2.321 3.144 -7.515 1.00 50.04 N ATOM 932 CA GLU A 57 -2.468 4.478 -6.864 1.00 52.13 C ATOM 933 C GLU A 57 -1.142 4.938 -6.196 1.00 61.54 C ATOM 934 O GLU A 57 -0.724 6.095 -6.335 1.00 41.11 O ATOM 935 CB GLU A 57 -3.612 4.417 -5.808 1.00 55.01 C ATOM 936 CG GLU A 57 -3.905 5.741 -5.047 1.00 40.45 C ATOM 937 CD GLU A 57 -4.435 6.877 -5.945 1.00 61.12 C ATOM 938 OE1 GLU A 57 -5.602 6.794 -6.392 1.00 32.02 O ATOM 939 OE2 GLU A 57 -3.706 7.865 -6.201 1.00 30.01 O ATOM 0 H GLU A 57 -2.912 2.422 -7.104 1.00 50.04 H new ATOM 0 HA GLU A 57 -2.717 5.209 -7.633 1.00 52.13 H new ATOM 0 HB2 GLU A 57 -4.526 4.099 -6.309 1.00 55.01 H new ATOM 0 HB3 GLU A 57 -3.365 3.647 -5.077 1.00 55.01 H new ATOM 0 HG2 GLU A 57 -4.634 5.543 -4.261 1.00 40.45 H new ATOM 0 HG3 GLU A 57 -2.991 6.076 -4.556 1.00 40.45 H new ATOM 946 N MET A 58 -0.488 3.988 -5.505 1.00 55.54 N ATOM 947 CA MET A 58 0.756 4.213 -4.735 1.00 43.52 C ATOM 948 C MET A 58 1.921 4.667 -5.631 1.00 12.14 C ATOM 949 O MET A 58 2.656 5.603 -5.283 1.00 52.44 O ATOM 950 CB MET A 58 1.140 2.928 -3.963 1.00 13.45 C ATOM 951 CG MET A 58 2.428 3.044 -3.151 1.00 72.42 C ATOM 952 SD MET A 58 2.391 4.430 -2.005 1.00 54.44 S ATOM 953 CE MET A 58 4.070 4.402 -1.395 1.00 2.01 C ATOM 0 H MET A 58 -0.813 3.022 -5.463 1.00 55.54 H new ATOM 0 HA MET A 58 0.562 5.019 -4.027 1.00 43.52 H new ATOM 0 HB2 MET A 58 0.323 2.664 -3.291 1.00 13.45 H new ATOM 0 HB3 MET A 58 1.245 2.109 -4.674 1.00 13.45 H new ATOM 0 HG2 MET A 58 2.589 2.120 -2.595 1.00 72.42 H new ATOM 0 HG3 MET A 58 3.273 3.159 -3.829 1.00 72.42 H new ATOM 0 HE1 MET A 58 4.179 5.134 -0.595 1.00 2.01 H new ATOM 0 HE2 MET A 58 4.301 3.408 -1.011 1.00 2.01 H new ATOM 0 HE3 MET A 58 4.756 4.646 -2.206 1.00 2.01 H new ATOM 963 N GLU A 59 2.066 3.998 -6.789 1.00 43.23 N ATOM 964 CA GLU A 59 3.117 4.325 -7.768 1.00 64.55 C ATOM 965 C GLU A 59 2.915 5.742 -8.339 1.00 64.14 C ATOM 966 O GLU A 59 3.883 6.459 -8.535 1.00 34.41 O ATOM 967 CB GLU A 59 3.167 3.295 -8.927 1.00 61.32 C ATOM 968 CG GLU A 59 4.315 3.550 -9.937 1.00 13.52 C ATOM 969 CD GLU A 59 4.285 2.628 -11.160 1.00 73.22 C ATOM 970 OE1 GLU A 59 3.513 2.904 -12.099 1.00 43.14 O ATOM 971 OE2 GLU A 59 5.031 1.631 -11.195 1.00 72.43 O ATOM 0 H GLU A 59 1.465 3.224 -7.070 1.00 43.23 H new ATOM 0 HA GLU A 59 4.068 4.286 -7.237 1.00 64.55 H new ATOM 0 HB2 GLU A 59 3.279 2.295 -8.508 1.00 61.32 H new ATOM 0 HB3 GLU A 59 2.216 3.313 -9.459 1.00 61.32 H new ATOM 0 HG2 GLU A 59 4.265 4.585 -10.274 1.00 13.52 H new ATOM 0 HG3 GLU A 59 5.269 3.427 -9.425 1.00 13.52 H new ATOM 978 N GLN A 60 1.642 6.124 -8.583 1.00 14.13 N ATOM 979 CA GLN A 60 1.285 7.460 -9.124 1.00 4.15 C ATOM 980 C GLN A 60 1.665 8.607 -8.155 1.00 44.34 C ATOM 981 O GLN A 60 2.116 9.665 -8.597 1.00 75.34 O ATOM 982 CB GLN A 60 -0.230 7.533 -9.464 1.00 65.43 C ATOM 983 CG GLN A 60 -0.720 6.507 -10.508 1.00 31.25 C ATOM 984 CD GLN A 60 0.025 6.543 -11.850 1.00 25.43 C ATOM 985 OE1 GLN A 60 0.510 7.583 -12.291 1.00 74.44 O ATOM 986 NE2 GLN A 60 0.116 5.407 -12.514 1.00 54.15 N ATOM 0 H GLN A 60 0.836 5.522 -8.413 1.00 14.13 H new ATOM 0 HA GLN A 60 1.864 7.593 -10.038 1.00 4.15 H new ATOM 0 HB2 GLN A 60 -0.799 7.392 -8.545 1.00 65.43 H new ATOM 0 HB3 GLN A 60 -0.456 8.535 -9.829 1.00 65.43 H new ATOM 0 HG2 GLN A 60 -0.627 5.507 -10.084 1.00 31.25 H new ATOM 0 HG3 GLN A 60 -1.781 6.677 -10.693 1.00 31.25 H new ATOM 0 HE21 GLN A 60 -0.294 4.557 -12.128 1.00 54.15 H new ATOM 0 HE22 GLN A 60 0.597 5.379 -13.413 1.00 54.15 H new ATOM 995 N MET A 61 1.487 8.374 -6.839 1.00 32.31 N ATOM 996 CA MET A 61 1.803 9.380 -5.792 1.00 12.02 C ATOM 997 C MET A 61 3.326 9.519 -5.575 1.00 52.34 C ATOM 998 O MET A 61 3.834 10.620 -5.322 1.00 52.51 O ATOM 999 CB MET A 61 1.087 9.005 -4.475 1.00 72.31 C ATOM 1000 CG MET A 61 -0.446 9.068 -4.567 1.00 55.44 C ATOM 1001 SD MET A 61 -1.255 8.586 -3.032 1.00 34.31 S ATOM 1002 CE MET A 61 -0.844 6.852 -2.943 1.00 1.51 C ATOM 0 H MET A 61 1.125 7.495 -6.470 1.00 32.31 H new ATOM 0 HA MET A 61 1.440 10.351 -6.129 1.00 12.02 H new ATOM 0 HB2 MET A 61 1.384 7.997 -4.184 1.00 72.31 H new ATOM 0 HB3 MET A 61 1.423 9.677 -3.685 1.00 72.31 H new ATOM 0 HG2 MET A 61 -0.749 10.082 -4.830 1.00 55.44 H new ATOM 0 HG3 MET A 61 -0.785 8.416 -5.372 1.00 55.44 H new ATOM 0 HE1 MET A 61 -1.582 6.334 -2.330 1.00 1.51 H new ATOM 0 HE2 MET A 61 -0.842 6.426 -3.947 1.00 1.51 H new ATOM 0 HE3 MET A 61 0.144 6.735 -2.498 1.00 1.51 H new ATOM 1012 N TYR A 62 4.032 8.379 -5.655 1.00 44.51 N ATOM 1013 CA TYR A 62 5.511 8.336 -5.675 1.00 21.53 C ATOM 1014 C TYR A 62 6.074 8.986 -6.974 1.00 73.25 C ATOM 1015 O TYR A 62 7.121 9.620 -6.955 1.00 33.04 O ATOM 1016 CB TYR A 62 6.011 6.860 -5.522 1.00 52.11 C ATOM 1017 CG TYR A 62 7.471 6.644 -5.971 1.00 34.13 C ATOM 1018 CD1 TYR A 62 8.546 7.108 -5.205 1.00 51.02 C ATOM 1019 CD2 TYR A 62 7.760 6.049 -7.206 1.00 73.11 C ATOM 1020 CE1 TYR A 62 9.842 6.986 -5.657 1.00 1.20 C ATOM 1021 CE2 TYR A 62 9.052 5.912 -7.645 1.00 3.52 C ATOM 1022 CZ TYR A 62 10.086 6.389 -6.877 1.00 43.43 C ATOM 1023 OH TYR A 62 11.370 6.288 -7.341 1.00 4.34 O ATOM 0 H TYR A 62 3.597 7.458 -5.708 1.00 44.51 H new ATOM 0 HA TYR A 62 5.884 8.916 -4.831 1.00 21.53 H new ATOM 0 HB2 TYR A 62 5.914 6.560 -4.478 1.00 52.11 H new ATOM 0 HB3 TYR A 62 5.362 6.205 -6.103 1.00 52.11 H new ATOM 0 HD1 TYR A 62 8.357 7.568 -4.246 1.00 51.02 H new ATOM 0 HD2 TYR A 62 6.950 5.691 -7.824 1.00 73.11 H new ATOM 0 HE1 TYR A 62 10.662 7.356 -5.060 1.00 1.20 H new ATOM 0 HE2 TYR A 62 9.256 5.431 -8.590 1.00 3.52 H new ATOM 0 HH TYR A 62 11.773 5.458 -7.010 1.00 4.34 H new ATOM 1033 N LYS A 63 5.372 8.795 -8.095 1.00 11.22 N ATOM 1034 CA LYS A 63 5.816 9.285 -9.425 1.00 60.33 C ATOM 1035 C LYS A 63 5.579 10.811 -9.552 1.00 13.41 C ATOM 1036 O LYS A 63 6.298 11.515 -10.268 1.00 70.24 O ATOM 1037 CB LYS A 63 5.081 8.481 -10.534 1.00 44.34 C ATOM 1038 CG LYS A 63 5.640 8.649 -11.964 1.00 32.43 C ATOM 1039 CD LYS A 63 5.138 7.546 -12.934 1.00 41.23 C ATOM 1040 CE LYS A 63 5.585 6.135 -12.498 1.00 55.41 C ATOM 1041 NZ LYS A 63 5.089 5.070 -13.407 1.00 42.24 N ATOM 0 H LYS A 63 4.481 8.299 -8.118 1.00 11.22 H new ATOM 0 HA LYS A 63 6.888 9.125 -9.541 1.00 60.33 H new ATOM 0 HB2 LYS A 63 5.114 7.423 -10.273 1.00 44.34 H new ATOM 0 HB3 LYS A 63 4.032 8.776 -10.537 1.00 44.34 H new ATOM 0 HG2 LYS A 63 5.351 9.626 -12.351 1.00 32.43 H new ATOM 0 HG3 LYS A 63 6.729 8.629 -11.929 1.00 32.43 H new ATOM 0 HD2 LYS A 63 4.050 7.580 -12.987 1.00 41.23 H new ATOM 0 HD3 LYS A 63 5.513 7.750 -13.937 1.00 41.23 H new ATOM 0 HE2 LYS A 63 6.674 6.098 -12.462 1.00 55.41 H new ATOM 0 HE3 LYS A 63 5.226 5.941 -11.487 1.00 55.41 H new ATOM 0 HZ1 LYS A 63 4.376 4.496 -12.913 1.00 42.24 H new ATOM 0 HZ2 LYS A 63 4.661 5.504 -14.249 1.00 42.24 H new ATOM 0 HZ3 LYS A 63 5.882 4.463 -13.696 1.00 42.24 H new ATOM 1055 N ASP A 64 4.563 11.300 -8.823 1.00 61.55 N ATOM 1056 CA ASP A 64 4.265 12.735 -8.688 1.00 5.34 C ATOM 1057 C ASP A 64 5.266 13.416 -7.712 1.00 30.35 C ATOM 1058 O ASP A 64 5.741 14.530 -7.966 1.00 53.40 O ATOM 1059 CB ASP A 64 2.802 12.906 -8.203 1.00 31.12 C ATOM 1060 CG ASP A 64 2.361 14.374 -8.099 1.00 31.24 C ATOM 1061 OD1 ASP A 64 2.397 15.083 -9.124 1.00 13.04 O ATOM 1062 OD2 ASP A 64 1.976 14.824 -7.004 1.00 64.45 O ATOM 0 H ASP A 64 3.918 10.703 -8.305 1.00 61.55 H new ATOM 0 HA ASP A 64 4.376 13.222 -9.657 1.00 5.34 H new ATOM 0 HB2 ASP A 64 2.136 12.382 -8.889 1.00 31.12 H new ATOM 0 HB3 ASP A 64 2.693 12.432 -7.228 1.00 31.12 H new ATOM 1067 N ALA A 65 5.592 12.717 -6.607 1.00 2.20 N ATOM 1068 CA ALA A 65 6.554 13.197 -5.584 1.00 51.12 C ATOM 1069 C ALA A 65 7.618 12.107 -5.258 1.00 21.03 C ATOM 1070 O ALA A 65 7.448 11.328 -4.304 1.00 72.41 O ATOM 1071 CB ALA A 65 5.798 13.648 -4.322 1.00 61.50 C ATOM 0 H ALA A 65 5.197 11.801 -6.394 1.00 2.20 H new ATOM 0 HA ALA A 65 7.091 14.057 -5.984 1.00 51.12 H new ATOM 0 HB1 ALA A 65 6.511 13.999 -3.576 1.00 61.50 H new ATOM 0 HB2 ALA A 65 5.113 14.457 -4.578 1.00 61.50 H new ATOM 0 HB3 ALA A 65 5.233 12.809 -3.917 1.00 61.50 H new ATOM 1077 N PRO A 66 8.713 11.981 -6.094 1.00 11.14 N ATOM 1078 CA PRO A 66 9.791 10.978 -5.880 1.00 24.05 C ATOM 1079 C PRO A 66 10.727 11.357 -4.700 1.00 30.31 C ATOM 1080 O PRO A 66 11.676 12.134 -4.859 1.00 43.22 O ATOM 1081 CB PRO A 66 10.544 10.941 -7.256 1.00 3.14 C ATOM 1082 CG PRO A 66 9.697 11.763 -8.197 1.00 71.31 C ATOM 1083 CD PRO A 66 8.976 12.767 -7.326 1.00 73.34 C ATOM 0 HA PRO A 66 9.400 10.001 -5.595 1.00 24.05 H new ATOM 0 HB2 PRO A 66 11.548 11.356 -7.166 1.00 3.14 H new ATOM 0 HB3 PRO A 66 10.653 9.918 -7.617 1.00 3.14 H new ATOM 0 HG2 PRO A 66 10.314 12.264 -8.943 1.00 71.31 H new ATOM 0 HG3 PRO A 66 8.990 11.134 -8.738 1.00 71.31 H new ATOM 0 HD2 PRO A 66 9.589 13.646 -7.125 1.00 73.34 H new ATOM 0 HD3 PRO A 66 8.054 13.120 -7.789 1.00 73.34 H new ATOM 1091 N ASN A 67 10.413 10.828 -3.502 1.00 31.00 N ATOM 1092 CA ASN A 67 11.193 11.082 -2.271 1.00 1.44 C ATOM 1093 C ASN A 67 12.430 10.137 -2.171 1.00 32.04 C ATOM 1094 O ASN A 67 13.493 10.478 -2.692 1.00 63.31 O ATOM 1095 CB ASN A 67 10.272 10.988 -1.030 1.00 41.15 C ATOM 1096 CG ASN A 67 9.253 12.133 -0.961 1.00 70.15 C ATOM 1097 OD1 ASN A 67 9.522 13.175 -0.372 1.00 13.04 O ATOM 1098 ND2 ASN A 67 8.090 11.964 -1.570 1.00 71.25 N ATOM 0 H ASN A 67 9.612 10.213 -3.358 1.00 31.00 H new ATOM 0 HA ASN A 67 11.591 12.096 -2.312 1.00 1.44 H new ATOM 0 HB2 ASN A 67 9.742 10.036 -1.047 1.00 41.15 H new ATOM 0 HB3 ASN A 67 10.883 10.996 -0.128 1.00 41.15 H new ATOM 0 HD21 ASN A 67 7.394 12.710 -1.556 1.00 71.25 H new ATOM 0 HD22 ASN A 67 7.890 11.088 -2.053 1.00 71.25 H new ATOM 1105 N ALA A 68 12.284 8.948 -1.526 1.00 44.25 N ATOM 1106 CA ALA A 68 13.397 7.964 -1.387 1.00 54.11 C ATOM 1107 C ALA A 68 12.880 6.590 -0.893 1.00 65.50 C ATOM 1108 O ALA A 68 12.728 5.652 -1.689 1.00 14.42 O ATOM 1109 CB ALA A 68 14.512 8.503 -0.454 1.00 1.41 C ATOM 0 H ALA A 68 11.410 8.647 -1.095 1.00 44.25 H new ATOM 0 HA ALA A 68 13.829 7.820 -2.378 1.00 54.11 H new ATOM 0 HB1 ALA A 68 15.308 7.763 -0.373 1.00 1.41 H new ATOM 0 HB2 ALA A 68 14.916 9.427 -0.866 1.00 1.41 H new ATOM 0 HB3 ALA A 68 14.096 8.698 0.535 1.00 1.41 H new ATOM 1115 N VAL A 69 12.593 6.489 0.427 1.00 74.03 N ATOM 1116 CA VAL A 69 12.111 5.236 1.077 1.00 72.53 C ATOM 1117 C VAL A 69 10.716 4.814 0.535 1.00 3.40 C ATOM 1118 O VAL A 69 10.355 3.631 0.553 1.00 25.13 O ATOM 1119 CB VAL A 69 12.075 5.401 2.649 1.00 10.31 C ATOM 1120 CG1 VAL A 69 11.595 4.111 3.367 1.00 41.20 C ATOM 1121 CG2 VAL A 69 13.462 5.848 3.192 1.00 70.20 C ATOM 0 H VAL A 69 12.688 7.271 1.075 1.00 74.03 H new ATOM 0 HA VAL A 69 12.815 4.442 0.829 1.00 72.53 H new ATOM 0 HB VAL A 69 11.346 6.181 2.869 1.00 10.31 H new ATOM 0 HG11 VAL A 69 11.588 4.276 4.444 1.00 41.20 H new ATOM 0 HG12 VAL A 69 10.589 3.861 3.031 1.00 41.20 H new ATOM 0 HG13 VAL A 69 12.271 3.290 3.130 1.00 41.20 H new ATOM 0 HG21 VAL A 69 13.411 5.955 4.276 1.00 70.20 H new ATOM 0 HG22 VAL A 69 14.212 5.099 2.936 1.00 70.20 H new ATOM 0 HG23 VAL A 69 13.737 6.804 2.746 1.00 70.20 H new ATOM 1131 N MET A 70 9.965 5.806 0.012 1.00 32.31 N ATOM 1132 CA MET A 70 8.647 5.593 -0.616 1.00 73.33 C ATOM 1133 C MET A 70 8.728 4.579 -1.796 1.00 62.45 C ATOM 1134 O MET A 70 7.812 3.787 -1.990 1.00 1.12 O ATOM 1135 CB MET A 70 8.057 6.958 -1.079 1.00 2.32 C ATOM 1136 CG MET A 70 6.566 6.907 -1.434 1.00 33.20 C ATOM 1137 SD MET A 70 5.847 8.524 -1.800 1.00 54.42 S ATOM 1138 CE MET A 70 4.094 8.115 -1.900 1.00 53.20 C ATOM 0 H MET A 70 10.259 6.783 0.014 1.00 32.31 H new ATOM 0 HA MET A 70 7.979 5.157 0.126 1.00 73.33 H new ATOM 0 HB2 MET A 70 8.206 7.693 -0.288 1.00 2.32 H new ATOM 0 HB3 MET A 70 8.615 7.307 -1.948 1.00 2.32 H new ATOM 0 HG2 MET A 70 6.430 6.256 -2.297 1.00 33.20 H new ATOM 0 HG3 MET A 70 6.020 6.456 -0.605 1.00 33.20 H new ATOM 0 HE1 MET A 70 3.522 9.016 -2.121 1.00 53.20 H new ATOM 0 HE2 MET A 70 3.936 7.382 -2.691 1.00 53.20 H new ATOM 0 HE3 MET A 70 3.763 7.699 -0.948 1.00 53.20 H new ATOM 1148 N GLU A 71 9.865 4.584 -2.533 1.00 32.23 N ATOM 1149 CA GLU A 71 10.147 3.600 -3.617 1.00 25.52 C ATOM 1150 C GLU A 71 10.238 2.149 -3.071 1.00 14.30 C ATOM 1151 O GLU A 71 9.731 1.202 -3.681 1.00 13.32 O ATOM 1152 CB GLU A 71 11.479 3.964 -4.320 1.00 4.24 C ATOM 1153 CG GLU A 71 11.859 3.056 -5.514 1.00 52.20 C ATOM 1154 CD GLU A 71 13.241 3.386 -6.101 1.00 34.30 C ATOM 1155 OE1 GLU A 71 13.337 4.286 -6.953 1.00 71.24 O ATOM 1156 OE2 GLU A 71 14.242 2.765 -5.694 1.00 33.42 O ATOM 0 H GLU A 71 10.612 5.265 -2.397 1.00 32.23 H new ATOM 0 HA GLU A 71 9.320 3.645 -4.326 1.00 25.52 H new ATOM 0 HB2 GLU A 71 11.417 4.994 -4.672 1.00 4.24 H new ATOM 0 HB3 GLU A 71 12.283 3.926 -3.584 1.00 4.24 H new ATOM 0 HG2 GLU A 71 11.846 2.015 -5.191 1.00 52.20 H new ATOM 0 HG3 GLU A 71 11.105 3.156 -6.295 1.00 52.20 H new ATOM 1163 N GLN A 72 10.902 2.003 -1.913 1.00 3.15 N ATOM 1164 CA GLN A 72 11.069 0.698 -1.226 1.00 22.23 C ATOM 1165 C GLN A 72 9.714 0.140 -0.733 1.00 64.21 C ATOM 1166 O GLN A 72 9.531 -1.078 -0.634 1.00 23.23 O ATOM 1167 CB GLN A 72 12.071 0.838 -0.052 1.00 13.14 C ATOM 1168 CG GLN A 72 13.456 1.370 -0.469 1.00 41.44 C ATOM 1169 CD GLN A 72 14.451 1.421 0.694 1.00 11.44 C ATOM 1170 OE1 GLN A 72 14.567 2.424 1.393 1.00 34.43 O ATOM 1171 NE2 GLN A 72 15.155 0.329 0.922 1.00 62.51 N ATOM 0 H GLN A 72 11.340 2.782 -1.421 1.00 3.15 H new ATOM 0 HA GLN A 72 11.470 -0.016 -1.945 1.00 22.23 H new ATOM 0 HB2 GLN A 72 11.647 1.507 0.696 1.00 13.14 H new ATOM 0 HB3 GLN A 72 12.195 -0.135 0.424 1.00 13.14 H new ATOM 0 HG2 GLN A 72 13.860 0.736 -1.258 1.00 41.44 H new ATOM 0 HG3 GLN A 72 13.344 2.370 -0.889 1.00 41.44 H new ATOM 0 HE21 GLN A 72 15.036 -0.488 0.324 1.00 62.51 H new ATOM 0 HE22 GLN A 72 15.818 0.302 1.697 1.00 62.51 H new ATOM 1180 N LEU A 73 8.788 1.056 -0.403 1.00 12.31 N ATOM 1181 CA LEU A 73 7.394 0.712 -0.049 1.00 61.52 C ATOM 1182 C LEU A 73 6.631 0.118 -1.262 1.00 13.14 C ATOM 1183 O LEU A 73 5.888 -0.850 -1.096 1.00 22.15 O ATOM 1184 CB LEU A 73 6.673 1.961 0.515 1.00 2.31 C ATOM 1185 CG LEU A 73 7.304 2.549 1.821 1.00 4.10 C ATOM 1186 CD1 LEU A 73 6.654 3.894 2.217 1.00 65.15 C ATOM 1187 CD2 LEU A 73 7.227 1.521 2.982 1.00 54.11 C ATOM 0 H LEU A 73 8.982 2.057 -0.373 1.00 12.31 H new ATOM 0 HA LEU A 73 7.411 -0.058 0.722 1.00 61.52 H new ATOM 0 HB2 LEU A 73 6.668 2.737 -0.251 1.00 2.31 H new ATOM 0 HB3 LEU A 73 5.633 1.704 0.715 1.00 2.31 H new ATOM 0 HG LEU A 73 8.356 2.751 1.617 1.00 4.10 H new ATOM 0 HD11 LEU A 73 7.120 4.269 3.128 1.00 65.15 H new ATOM 0 HD12 LEU A 73 6.795 4.617 1.413 1.00 65.15 H new ATOM 0 HD13 LEU A 73 5.588 3.746 2.389 1.00 65.15 H new ATOM 0 HD21 LEU A 73 7.671 1.952 3.879 1.00 54.11 H new ATOM 0 HD22 LEU A 73 6.184 1.271 3.178 1.00 54.11 H new ATOM 0 HD23 LEU A 73 7.771 0.618 2.705 1.00 54.11 H new ATOM 1199 N LEU A 74 6.842 0.697 -2.479 1.00 25.02 N ATOM 1200 CA LEU A 74 6.340 0.105 -3.763 1.00 1.44 C ATOM 1201 C LEU A 74 6.835 -1.355 -3.936 1.00 15.20 C ATOM 1202 O LEU A 74 6.066 -2.243 -4.337 1.00 72.01 O ATOM 1203 CB LEU A 74 6.795 0.937 -5.017 1.00 64.11 C ATOM 1204 CG LEU A 74 5.936 2.180 -5.420 1.00 24.23 C ATOM 1205 CD1 LEU A 74 5.933 3.262 -4.333 1.00 32.34 C ATOM 1206 CD2 LEU A 74 6.419 2.757 -6.773 1.00 12.14 C ATOM 0 H LEU A 74 7.354 1.570 -2.602 1.00 25.02 H new ATOM 0 HA LEU A 74 5.252 0.125 -3.701 1.00 1.44 H new ATOM 0 HB2 LEU A 74 7.815 1.278 -4.840 1.00 64.11 H new ATOM 0 HB3 LEU A 74 6.829 0.262 -5.872 1.00 64.11 H new ATOM 0 HG LEU A 74 4.906 1.841 -5.531 1.00 24.23 H new ATOM 0 HD11 LEU A 74 5.323 4.104 -4.660 1.00 32.34 H new ATOM 0 HD12 LEU A 74 5.520 2.851 -3.412 1.00 32.34 H new ATOM 0 HD13 LEU A 74 6.953 3.601 -4.154 1.00 32.34 H new ATOM 0 HD21 LEU A 74 5.810 3.621 -7.038 1.00 12.14 H new ATOM 0 HD22 LEU A 74 7.462 3.061 -6.687 1.00 12.14 H new ATOM 0 HD23 LEU A 74 6.325 1.996 -7.547 1.00 12.14 H new ATOM 1218 N GLU A 75 8.132 -1.571 -3.629 1.00 64.35 N ATOM 1219 CA GLU A 75 8.785 -2.888 -3.765 1.00 32.45 C ATOM 1220 C GLU A 75 8.160 -3.932 -2.813 1.00 33.52 C ATOM 1221 O GLU A 75 7.892 -5.056 -3.228 1.00 61.23 O ATOM 1222 CB GLU A 75 10.313 -2.776 -3.516 1.00 14.42 C ATOM 1223 CG GLU A 75 11.108 -4.053 -3.879 1.00 14.23 C ATOM 1224 CD GLU A 75 12.599 -3.974 -3.518 1.00 63.54 C ATOM 1225 OE1 GLU A 75 13.325 -3.154 -4.122 1.00 1.21 O ATOM 1226 OE2 GLU A 75 13.060 -4.721 -2.620 1.00 21.43 O ATOM 0 H GLU A 75 8.752 -0.840 -3.281 1.00 64.35 H new ATOM 0 HA GLU A 75 8.623 -3.228 -4.788 1.00 32.45 H new ATOM 0 HB2 GLU A 75 10.704 -1.940 -4.096 1.00 14.42 H new ATOM 0 HB3 GLU A 75 10.483 -2.542 -2.465 1.00 14.42 H new ATOM 0 HG2 GLU A 75 10.663 -4.906 -3.366 1.00 14.23 H new ATOM 0 HG3 GLU A 75 11.011 -4.239 -4.949 1.00 14.23 H new ATOM 1233 N GLU A 76 7.923 -3.540 -1.538 1.00 64.35 N ATOM 1234 CA GLU A 76 7.285 -4.433 -0.534 1.00 71.24 C ATOM 1235 C GLU A 76 5.851 -4.838 -0.947 1.00 35.45 C ATOM 1236 O GLU A 76 5.463 -5.995 -0.774 1.00 20.00 O ATOM 1237 CB GLU A 76 7.251 -3.796 0.878 1.00 54.53 C ATOM 1238 CG GLU A 76 8.623 -3.597 1.551 1.00 1.21 C ATOM 1239 CD GLU A 76 8.492 -3.301 3.060 1.00 43.10 C ATOM 1240 OE1 GLU A 76 8.016 -2.201 3.420 1.00 41.31 O ATOM 1241 OE2 GLU A 76 8.815 -4.185 3.887 1.00 53.01 O ATOM 0 H GLU A 76 8.162 -2.616 -1.179 1.00 64.35 H new ATOM 0 HA GLU A 76 7.906 -5.328 -0.497 1.00 71.24 H new ATOM 0 HB2 GLU A 76 6.756 -2.827 0.808 1.00 54.53 H new ATOM 0 HB3 GLU A 76 6.636 -4.422 1.525 1.00 54.53 H new ATOM 0 HG2 GLU A 76 9.229 -4.492 1.409 1.00 1.21 H new ATOM 0 HG3 GLU A 76 9.149 -2.775 1.065 1.00 1.21 H new ATOM 1248 N ILE A 77 5.077 -3.874 -1.489 1.00 62.51 N ATOM 1249 CA ILE A 77 3.719 -4.142 -2.036 1.00 1.23 C ATOM 1250 C ILE A 77 3.781 -5.209 -3.154 1.00 52.14 C ATOM 1251 O ILE A 77 2.930 -6.083 -3.212 1.00 65.35 O ATOM 1252 CB ILE A 77 3.039 -2.823 -2.578 1.00 24.42 C ATOM 1253 CG1 ILE A 77 2.876 -1.785 -1.420 1.00 51.24 C ATOM 1254 CG2 ILE A 77 1.660 -3.108 -3.249 1.00 12.34 C ATOM 1255 CD1 ILE A 77 2.420 -0.408 -1.857 1.00 3.43 C ATOM 0 H ILE A 77 5.366 -2.898 -1.562 1.00 62.51 H new ATOM 0 HA ILE A 77 3.107 -4.523 -1.218 1.00 1.23 H new ATOM 0 HB ILE A 77 3.693 -2.408 -3.345 1.00 24.42 H new ATOM 0 HG12 ILE A 77 2.159 -2.177 -0.698 1.00 51.24 H new ATOM 0 HG13 ILE A 77 3.830 -1.688 -0.901 1.00 51.24 H new ATOM 0 HG21 ILE A 77 1.229 -2.173 -3.607 1.00 12.34 H new ATOM 0 HG22 ILE A 77 1.798 -3.789 -4.089 1.00 12.34 H new ATOM 0 HG23 ILE A 77 0.988 -3.562 -2.521 1.00 12.34 H new ATOM 0 HD11 ILE A 77 2.336 0.241 -0.985 1.00 3.43 H new ATOM 0 HD12 ILE A 77 3.146 0.012 -2.553 1.00 3.43 H new ATOM 0 HD13 ILE A 77 1.449 -0.485 -2.347 1.00 3.43 H new ATOM 1267 N GLU A 78 4.829 -5.133 -4.002 1.00 61.02 N ATOM 1268 CA GLU A 78 5.077 -6.112 -5.091 1.00 40.33 C ATOM 1269 C GLU A 78 5.405 -7.527 -4.541 1.00 60.21 C ATOM 1270 O GLU A 78 4.904 -8.535 -5.056 1.00 31.31 O ATOM 1271 CB GLU A 78 6.243 -5.622 -5.979 1.00 61.11 C ATOM 1272 CG GLU A 78 6.536 -6.508 -7.213 1.00 3.13 C ATOM 1273 CD GLU A 78 7.701 -5.981 -8.067 1.00 5.03 C ATOM 1274 OE1 GLU A 78 7.516 -4.968 -8.783 1.00 3.51 O ATOM 1275 OE2 GLU A 78 8.806 -6.566 -8.022 1.00 72.35 O ATOM 0 H GLU A 78 5.529 -4.393 -3.954 1.00 61.02 H new ATOM 0 HA GLU A 78 4.162 -6.187 -5.678 1.00 40.33 H new ATOM 0 HB2 GLU A 78 6.021 -4.611 -6.320 1.00 61.11 H new ATOM 0 HB3 GLU A 78 7.145 -5.562 -5.370 1.00 61.11 H new ATOM 0 HG2 GLU A 78 6.765 -7.520 -6.880 1.00 3.13 H new ATOM 0 HG3 GLU A 78 5.640 -6.570 -7.830 1.00 3.13 H new ATOM 1282 N LYS A 79 6.262 -7.573 -3.499 1.00 64.14 N ATOM 1283 CA LYS A 79 6.683 -8.839 -2.843 1.00 42.55 C ATOM 1284 C LYS A 79 5.473 -9.573 -2.224 1.00 73.33 C ATOM 1285 O LYS A 79 5.336 -10.789 -2.355 1.00 4.51 O ATOM 1286 CB LYS A 79 7.751 -8.566 -1.740 1.00 74.05 C ATOM 1287 CG LYS A 79 9.033 -7.847 -2.222 1.00 61.23 C ATOM 1288 CD LYS A 79 9.772 -8.594 -3.360 1.00 1.11 C ATOM 1289 CE LYS A 79 11.059 -7.871 -3.808 1.00 63.51 C ATOM 1290 NZ LYS A 79 12.028 -7.702 -2.691 1.00 34.43 N ATOM 0 H LYS A 79 6.682 -6.740 -3.087 1.00 64.14 H new ATOM 0 HA LYS A 79 7.123 -9.475 -3.612 1.00 42.55 H new ATOM 0 HB2 LYS A 79 7.292 -7.966 -0.954 1.00 74.05 H new ATOM 0 HB3 LYS A 79 8.035 -9.517 -1.290 1.00 74.05 H new ATOM 0 HG2 LYS A 79 8.771 -6.846 -2.566 1.00 61.23 H new ATOM 0 HG3 LYS A 79 9.711 -7.726 -1.377 1.00 61.23 H new ATOM 0 HD2 LYS A 79 10.023 -9.601 -3.025 1.00 1.11 H new ATOM 0 HD3 LYS A 79 9.103 -8.700 -4.214 1.00 1.11 H new ATOM 0 HE2 LYS A 79 11.530 -8.436 -4.612 1.00 63.51 H new ATOM 0 HE3 LYS A 79 10.801 -6.893 -4.214 1.00 63.51 H new ATOM 0 HZ1 LYS A 79 12.135 -6.690 -2.474 1.00 34.43 H new ATOM 0 HZ2 LYS A 79 11.677 -8.201 -1.849 1.00 34.43 H new ATOM 0 HZ3 LYS A 79 12.950 -8.096 -2.968 1.00 34.43 H new ATOM 1304 N LEU A 80 4.611 -8.792 -1.561 1.00 31.53 N ATOM 1305 CA LEU A 80 3.374 -9.275 -0.911 1.00 52.05 C ATOM 1306 C LEU A 80 2.241 -9.549 -1.928 1.00 0.51 C ATOM 1307 O LEU A 80 1.370 -10.363 -1.659 1.00 61.12 O ATOM 1308 CB LEU A 80 2.912 -8.276 0.196 1.00 75.54 C ATOM 1309 CG LEU A 80 3.579 -8.439 1.605 1.00 62.13 C ATOM 1310 CD1 LEU A 80 3.250 -9.818 2.219 1.00 22.34 C ATOM 1311 CD2 LEU A 80 5.105 -8.191 1.561 1.00 42.42 C ATOM 0 H LEU A 80 4.751 -7.787 -1.456 1.00 31.53 H new ATOM 0 HA LEU A 80 3.606 -10.231 -0.441 1.00 52.05 H new ATOM 0 HB2 LEU A 80 3.103 -7.263 -0.157 1.00 75.54 H new ATOM 0 HB3 LEU A 80 1.833 -8.374 0.316 1.00 75.54 H new ATOM 0 HG LEU A 80 3.154 -7.672 2.252 1.00 62.13 H new ATOM 0 HD11 LEU A 80 3.725 -9.904 3.196 1.00 22.34 H new ATOM 0 HD12 LEU A 80 2.170 -9.918 2.331 1.00 22.34 H new ATOM 0 HD13 LEU A 80 3.622 -10.606 1.564 1.00 22.34 H new ATOM 0 HD21 LEU A 80 5.523 -8.315 2.560 1.00 42.42 H new ATOM 0 HD22 LEU A 80 5.570 -8.905 0.882 1.00 42.42 H new ATOM 0 HD23 LEU A 80 5.299 -7.177 1.210 1.00 42.42 H new ATOM 1323 N LEU A 81 2.245 -8.829 -3.066 1.00 43.43 N ATOM 1324 CA LEU A 81 1.286 -9.043 -4.188 1.00 21.21 C ATOM 1325 C LEU A 81 1.496 -10.464 -4.778 1.00 1.33 C ATOM 1326 O LEU A 81 0.538 -11.227 -4.991 1.00 53.42 O ATOM 1327 CB LEU A 81 1.512 -7.924 -5.269 1.00 71.12 C ATOM 1328 CG LEU A 81 0.311 -7.525 -6.189 1.00 71.42 C ATOM 1329 CD1 LEU A 81 0.637 -6.250 -7.010 1.00 3.13 C ATOM 1330 CD2 LEU A 81 -0.114 -8.672 -7.122 1.00 74.43 C ATOM 0 H LEU A 81 2.912 -8.078 -3.242 1.00 43.43 H new ATOM 0 HA LEU A 81 0.257 -8.976 -3.836 1.00 21.21 H new ATOM 0 HB2 LEU A 81 1.847 -7.025 -4.751 1.00 71.12 H new ATOM 0 HB3 LEU A 81 2.331 -8.245 -5.913 1.00 71.12 H new ATOM 0 HG LEU A 81 -0.531 -7.311 -5.531 1.00 71.42 H new ATOM 0 HD11 LEU A 81 -0.215 -5.996 -7.641 1.00 3.13 H new ATOM 0 HD12 LEU A 81 0.846 -5.423 -6.331 1.00 3.13 H new ATOM 0 HD13 LEU A 81 1.510 -6.434 -7.636 1.00 3.13 H new ATOM 0 HD21 LEU A 81 -0.951 -8.347 -7.741 1.00 74.43 H new ATOM 0 HD22 LEU A 81 0.724 -8.950 -7.762 1.00 74.43 H new ATOM 0 HD23 LEU A 81 -0.417 -9.533 -6.526 1.00 74.43 H new ATOM 1342 N LYS A 82 2.771 -10.781 -5.026 1.00 22.11 N ATOM 1343 CA LYS A 82 3.232 -12.114 -5.450 1.00 31.14 C ATOM 1344 C LYS A 82 2.949 -13.172 -4.354 1.00 70.22 C ATOM 1345 O LYS A 82 2.431 -14.257 -4.643 1.00 1.04 O ATOM 1346 CB LYS A 82 4.755 -12.007 -5.805 1.00 32.42 C ATOM 1347 CG LYS A 82 5.543 -13.343 -6.019 1.00 41.12 C ATOM 1348 CD LYS A 82 6.236 -13.840 -4.724 1.00 14.33 C ATOM 1349 CE LYS A 82 7.090 -15.097 -4.926 1.00 12.31 C ATOM 1350 NZ LYS A 82 7.810 -15.466 -3.682 1.00 45.42 N ATOM 0 H LYS A 82 3.530 -10.106 -4.937 1.00 22.11 H new ATOM 0 HA LYS A 82 2.686 -12.447 -6.332 1.00 31.14 H new ATOM 0 HB2 LYS A 82 4.848 -11.413 -6.714 1.00 32.42 H new ATOM 0 HB3 LYS A 82 5.248 -11.450 -5.008 1.00 32.42 H new ATOM 0 HG2 LYS A 82 4.858 -14.111 -6.378 1.00 41.12 H new ATOM 0 HG3 LYS A 82 6.294 -13.197 -6.796 1.00 41.12 H new ATOM 0 HD2 LYS A 82 6.866 -13.042 -4.331 1.00 14.33 H new ATOM 0 HD3 LYS A 82 5.475 -14.045 -3.971 1.00 14.33 H new ATOM 0 HE2 LYS A 82 6.454 -15.925 -5.240 1.00 12.31 H new ATOM 0 HE3 LYS A 82 7.809 -14.926 -5.727 1.00 12.31 H new ATOM 0 HZ1 LYS A 82 8.379 -16.320 -3.851 1.00 45.42 H new ATOM 0 HZ2 LYS A 82 8.434 -14.685 -3.398 1.00 45.42 H new ATOM 0 HZ3 LYS A 82 7.122 -15.652 -2.925 1.00 45.42 H new ATOM 1364 N LYS A 83 3.283 -12.823 -3.095 1.00 10.13 N ATOM 1365 CA LYS A 83 3.132 -13.718 -1.923 1.00 14.12 C ATOM 1366 C LYS A 83 1.642 -14.051 -1.624 1.00 61.41 C ATOM 1367 O LYS A 83 1.324 -15.139 -1.140 1.00 2.50 O ATOM 1368 CB LYS A 83 3.838 -13.081 -0.693 1.00 53.43 C ATOM 1369 CG LYS A 83 3.916 -13.979 0.562 1.00 74.21 C ATOM 1370 CD LYS A 83 4.734 -13.337 1.715 1.00 60.12 C ATOM 1371 CE LYS A 83 4.707 -14.176 3.005 1.00 64.34 C ATOM 1372 NZ LYS A 83 5.218 -15.548 2.786 1.00 1.41 N ATOM 0 H LYS A 83 3.667 -11.908 -2.859 1.00 10.13 H new ATOM 0 HA LYS A 83 3.610 -14.670 -2.153 1.00 14.12 H new ATOM 0 HB2 LYS A 83 4.851 -12.799 -0.982 1.00 53.43 H new ATOM 0 HB3 LYS A 83 3.314 -12.162 -0.430 1.00 53.43 H new ATOM 0 HG2 LYS A 83 2.906 -14.191 0.914 1.00 74.21 H new ATOM 0 HG3 LYS A 83 4.367 -14.934 0.292 1.00 74.21 H new ATOM 0 HD2 LYS A 83 5.767 -13.208 1.393 1.00 60.12 H new ATOM 0 HD3 LYS A 83 4.339 -12.343 1.925 1.00 60.12 H new ATOM 0 HE2 LYS A 83 5.307 -13.684 3.770 1.00 64.34 H new ATOM 0 HE3 LYS A 83 3.686 -14.226 3.384 1.00 64.34 H new ATOM 0 HZ1 LYS A 83 5.262 -16.051 3.695 1.00 1.41 H new ATOM 0 HZ2 LYS A 83 4.582 -16.056 2.139 1.00 1.41 H new ATOM 0 HZ3 LYS A 83 6.170 -15.502 2.370 1.00 1.41 H new ATOM 1386 N ALA A 84 0.732 -13.110 -1.958 1.00 75.24 N ATOM 1387 CA ALA A 84 -0.734 -13.268 -1.757 1.00 55.53 C ATOM 1388 C ALA A 84 -1.407 -14.141 -2.848 1.00 75.01 C ATOM 1389 O ALA A 84 -2.640 -14.158 -2.946 1.00 73.31 O ATOM 1390 CB ALA A 84 -1.409 -11.885 -1.690 1.00 61.40 C ATOM 0 H ALA A 84 0.989 -12.216 -2.376 1.00 75.24 H new ATOM 0 HA ALA A 84 -0.868 -13.793 -0.811 1.00 55.53 H new ATOM 0 HB1 ALA A 84 -2.482 -12.010 -1.543 1.00 61.40 H new ATOM 0 HB2 ALA A 84 -0.993 -11.317 -0.858 1.00 61.40 H new ATOM 0 HB3 ALA A 84 -1.231 -11.348 -2.622 1.00 61.40 H new ATOM 1396 N GLY A 85 -0.599 -14.853 -3.664 1.00 50.42 N ATOM 1397 CA GLY A 85 -1.114 -15.828 -4.631 1.00 34.50 C ATOM 1398 C GLY A 85 -1.734 -17.073 -3.969 1.00 3.54 C ATOM 1399 O GLY A 85 -1.126 -18.150 -3.947 1.00 2.24 O ATOM 0 H GLY A 85 0.417 -14.765 -3.666 1.00 50.42 H new ATOM 0 HA2 GLY A 85 -1.865 -15.346 -5.258 1.00 34.50 H new ATOM 0 HA3 GLY A 85 -0.303 -16.141 -5.289 1.00 34.50 H new ATOM 1403 N SER A 86 -2.951 -16.913 -3.421 1.00 4.15 N ATOM 1404 CA SER A 86 -3.701 -18.001 -2.758 1.00 14.20 C ATOM 1405 C SER A 86 -4.397 -18.892 -3.812 1.00 11.32 C ATOM 1406 O SER A 86 -5.253 -18.404 -4.563 1.00 4.11 O ATOM 1407 CB SER A 86 -4.736 -17.415 -1.764 1.00 12.14 C ATOM 1408 OG SER A 86 -4.109 -16.617 -0.766 1.00 72.53 O ATOM 0 H SER A 86 -3.447 -16.022 -3.424 1.00 4.15 H new ATOM 0 HA SER A 86 -3.000 -18.618 -2.196 1.00 14.20 H new ATOM 0 HB2 SER A 86 -5.464 -16.813 -2.308 1.00 12.14 H new ATOM 0 HB3 SER A 86 -5.286 -18.227 -1.289 1.00 12.14 H new ATOM 0 HG SER A 86 -4.789 -16.261 -0.157 1.00 72.53 H new ATOM 1414 N LEU A 87 -4.027 -20.196 -3.836 1.00 20.30 N ATOM 1415 CA LEU A 87 -4.420 -21.181 -4.883 1.00 43.22 C ATOM 1416 C LEU A 87 -3.763 -20.832 -6.248 1.00 3.51 C ATOM 1417 O LEU A 87 -2.876 -21.555 -6.722 1.00 34.34 O ATOM 1418 CB LEU A 87 -5.978 -21.361 -5.027 1.00 64.10 C ATOM 1419 CG LEU A 87 -6.705 -22.151 -3.884 1.00 30.53 C ATOM 1420 CD1 LEU A 87 -6.670 -21.413 -2.518 1.00 74.23 C ATOM 1421 CD2 LEU A 87 -8.159 -22.485 -4.294 1.00 11.45 C ATOM 0 H LEU A 87 -3.434 -20.605 -3.114 1.00 20.30 H new ATOM 0 HA LEU A 87 -4.041 -22.147 -4.549 1.00 43.22 H new ATOM 0 HB2 LEU A 87 -6.430 -20.371 -5.097 1.00 64.10 H new ATOM 0 HB3 LEU A 87 -6.176 -21.869 -5.971 1.00 64.10 H new ATOM 0 HG LEU A 87 -6.153 -23.080 -3.745 1.00 30.53 H new ATOM 0 HD11 LEU A 87 -7.189 -22.010 -1.768 1.00 74.23 H new ATOM 0 HD12 LEU A 87 -5.635 -21.265 -2.211 1.00 74.23 H new ATOM 0 HD13 LEU A 87 -7.161 -20.445 -2.615 1.00 74.23 H new ATOM 0 HD21 LEU A 87 -8.647 -23.033 -3.488 1.00 11.45 H new ATOM 0 HD22 LEU A 87 -8.704 -21.561 -4.487 1.00 11.45 H new ATOM 0 HD23 LEU A 87 -8.151 -23.097 -5.196 1.00 11.45 H new ATOM 1433 N VAL A 88 -4.204 -19.720 -6.868 1.00 55.43 N ATOM 1434 CA VAL A 88 -3.621 -19.201 -8.123 1.00 62.12 C ATOM 1435 C VAL A 88 -2.158 -18.693 -7.891 1.00 2.12 C ATOM 1436 O VAL A 88 -1.920 -17.890 -6.990 1.00 1.14 O ATOM 1437 CB VAL A 88 -4.530 -18.064 -8.750 1.00 73.34 C ATOM 1438 CG1 VAL A 88 -5.900 -18.635 -9.198 1.00 44.44 C ATOM 1439 CG2 VAL A 88 -4.727 -16.876 -7.768 1.00 42.12 C ATOM 0 H VAL A 88 -4.975 -19.155 -6.513 1.00 55.43 H new ATOM 0 HA VAL A 88 -3.581 -20.022 -8.839 1.00 62.12 H new ATOM 0 HB VAL A 88 -4.010 -17.682 -9.629 1.00 73.34 H new ATOM 0 HG11 VAL A 88 -6.505 -17.835 -9.625 1.00 44.44 H new ATOM 0 HG12 VAL A 88 -5.743 -19.411 -9.947 1.00 44.44 H new ATOM 0 HG13 VAL A 88 -6.416 -19.061 -8.337 1.00 44.44 H new ATOM 0 HG21 VAL A 88 -5.356 -16.118 -8.235 1.00 42.12 H new ATOM 0 HG22 VAL A 88 -5.206 -17.233 -6.856 1.00 42.12 H new ATOM 0 HG23 VAL A 88 -3.758 -16.442 -7.522 1.00 42.12 H new ATOM 1449 N PRO A 89 -1.145 -19.152 -8.703 1.00 13.53 N ATOM 1450 CA PRO A 89 0.293 -18.806 -8.475 1.00 15.31 C ATOM 1451 C PRO A 89 0.689 -17.385 -8.971 1.00 41.34 C ATOM 1452 O PRO A 89 1.870 -17.012 -8.931 1.00 31.30 O ATOM 1453 CB PRO A 89 1.016 -19.920 -9.271 1.00 61.33 C ATOM 1454 CG PRO A 89 0.109 -20.182 -10.437 1.00 65.04 C ATOM 1455 CD PRO A 89 -1.307 -20.020 -9.907 1.00 12.21 C ATOM 0 HA PRO A 89 0.550 -18.766 -7.417 1.00 15.31 H new ATOM 0 HB2 PRO A 89 2.005 -19.598 -9.599 1.00 61.33 H new ATOM 0 HB3 PRO A 89 1.157 -20.816 -8.666 1.00 61.33 H new ATOM 0 HG2 PRO A 89 0.305 -19.482 -11.249 1.00 65.04 H new ATOM 0 HG3 PRO A 89 0.265 -21.184 -10.836 1.00 65.04 H new ATOM 0 HD2 PRO A 89 -1.960 -19.558 -10.647 1.00 12.21 H new ATOM 0 HD3 PRO A 89 -1.749 -20.982 -9.649 1.00 12.21 H new ATOM 1463 N ARG A 90 -0.307 -16.608 -9.437 1.00 54.20 N ATOM 1464 CA ARG A 90 -0.110 -15.227 -9.913 1.00 43.11 C ATOM 1465 C ARG A 90 -1.425 -14.443 -9.687 1.00 43.41 C ATOM 1466 O ARG A 90 -1.486 -13.550 -8.838 1.00 34.41 O ATOM 1467 CB ARG A 90 0.323 -15.250 -11.423 1.00 43.03 C ATOM 1468 CG ARG A 90 0.998 -13.968 -12.007 1.00 70.21 C ATOM 1469 CD ARG A 90 0.060 -12.743 -12.209 1.00 3.41 C ATOM 1470 NE ARG A 90 -0.102 -11.928 -10.987 1.00 44.22 N ATOM 1471 CZ ARG A 90 -0.959 -10.939 -10.827 1.00 13.40 C ATOM 1472 NH1 ARG A 90 -1.853 -10.640 -11.708 1.00 75.11 N ATOM 1473 NH2 ARG A 90 -0.920 -10.254 -9.745 1.00 34.51 N ATOM 0 H ARG A 90 -1.276 -16.923 -9.494 1.00 54.20 H new ATOM 0 HA ARG A 90 0.685 -14.727 -9.360 1.00 43.11 H new ATOM 0 HB2 ARG A 90 1.012 -16.084 -11.561 1.00 43.03 H new ATOM 0 HB3 ARG A 90 -0.562 -15.465 -12.022 1.00 43.03 H new ATOM 0 HG2 ARG A 90 1.811 -13.674 -11.344 1.00 70.21 H new ATOM 0 HG3 ARG A 90 1.446 -14.221 -12.968 1.00 70.21 H new ATOM 0 HD2 ARG A 90 0.458 -12.116 -13.006 1.00 3.41 H new ATOM 0 HD3 ARG A 90 -0.919 -13.093 -12.537 1.00 3.41 H new ATOM 0 HE ARG A 90 0.503 -12.150 -10.197 1.00 44.22 H new ATOM 0 HH11 ARG A 90 -1.918 -11.178 -12.572 1.00 75.11 H new ATOM 0 HH12 ARG A 90 -2.495 -9.866 -11.540 1.00 75.11 H new ATOM 0 HH21 ARG A 90 -0.234 -10.477 -9.024 1.00 34.51 H new ATOM 0 HH22 ARG A 90 -1.575 -9.485 -9.604 1.00 34.51 H new ATOM 1487 N GLY A 91 -2.472 -14.806 -10.454 1.00 60.23 N ATOM 1488 CA GLY A 91 -3.771 -14.112 -10.433 1.00 64.43 C ATOM 1489 C GLY A 91 -4.213 -13.692 -11.840 1.00 14.01 C ATOM 1490 O GLY A 91 -3.757 -12.663 -12.355 1.00 61.10 O ATOM 0 H GLY A 91 -2.439 -15.590 -11.106 1.00 60.23 H new ATOM 0 HA2 GLY A 91 -4.525 -14.765 -9.994 1.00 64.43 H new ATOM 0 HA3 GLY A 91 -3.702 -13.231 -9.795 1.00 64.43 H new ATOM 1494 N SER A 92 -5.082 -14.502 -12.467 1.00 52.12 N ATOM 1495 CA SER A 92 -5.568 -14.257 -13.848 1.00 32.43 C ATOM 1496 C SER A 92 -6.868 -13.412 -13.854 1.00 4.54 C ATOM 1497 O SER A 92 -7.848 -13.755 -13.187 1.00 43.22 O ATOM 1498 CB SER A 92 -5.797 -15.603 -14.579 1.00 22.31 C ATOM 1499 OG SER A 92 -6.755 -16.412 -13.914 1.00 54.25 O ATOM 0 H SER A 92 -5.470 -15.343 -12.039 1.00 52.12 H new ATOM 0 HA SER A 92 -4.802 -13.689 -14.376 1.00 32.43 H new ATOM 0 HB2 SER A 92 -6.131 -15.410 -15.599 1.00 22.31 H new ATOM 0 HB3 SER A 92 -4.853 -16.143 -14.649 1.00 22.31 H new ATOM 0 HG SER A 92 -7.629 -16.304 -14.344 1.00 54.25 H new ATOM 1505 N TYR A 93 -6.850 -12.299 -14.615 1.00 71.11 N ATOM 1506 CA TYR A 93 -8.030 -11.420 -14.817 1.00 41.55 C ATOM 1507 C TYR A 93 -9.024 -12.055 -15.823 1.00 14.13 C ATOM 1508 O TYR A 93 -10.242 -11.990 -15.639 1.00 12.12 O ATOM 1509 CB TYR A 93 -7.582 -10.027 -15.311 1.00 54.13 C ATOM 1510 CG TYR A 93 -6.718 -9.246 -14.299 1.00 30.43 C ATOM 1511 CD1 TYR A 93 -7.311 -8.458 -13.302 1.00 11.01 C ATOM 1512 CD2 TYR A 93 -5.320 -9.296 -14.340 1.00 51.34 C ATOM 1513 CE1 TYR A 93 -6.542 -7.753 -12.394 1.00 5.34 C ATOM 1514 CE2 TYR A 93 -4.551 -8.590 -13.431 1.00 44.02 C ATOM 1515 CZ TYR A 93 -5.166 -7.820 -12.465 1.00 75.44 C ATOM 1516 OH TYR A 93 -4.404 -7.116 -11.562 1.00 52.23 O ATOM 0 H TYR A 93 -6.017 -11.980 -15.110 1.00 71.11 H new ATOM 0 HA TYR A 93 -8.539 -11.306 -13.860 1.00 41.55 H new ATOM 0 HB2 TYR A 93 -7.019 -10.146 -16.237 1.00 54.13 H new ATOM 0 HB3 TYR A 93 -8.467 -9.436 -15.549 1.00 54.13 H new ATOM 0 HD1 TYR A 93 -8.388 -8.401 -13.242 1.00 11.01 H new ATOM 0 HD2 TYR A 93 -4.833 -9.896 -15.094 1.00 51.34 H new ATOM 0 HE1 TYR A 93 -7.017 -7.152 -11.632 1.00 5.34 H new ATOM 0 HE2 TYR A 93 -3.473 -8.642 -13.478 1.00 44.02 H new ATOM 0 HH TYR A 93 -3.454 -7.270 -11.746 1.00 52.23 H new ATOM 1526 N LEU A 94 -8.478 -12.633 -16.900 1.00 22.00 N ATOM 1527 CA LEU A 94 -9.236 -13.481 -17.840 1.00 52.22 C ATOM 1528 C LEU A 94 -9.452 -14.871 -17.194 1.00 50.55 C ATOM 1529 O LEU A 94 -8.478 -15.531 -16.796 1.00 62.22 O ATOM 1530 CB LEU A 94 -8.504 -13.623 -19.211 1.00 63.24 C ATOM 1531 CG LEU A 94 -8.424 -12.337 -20.110 1.00 53.35 C ATOM 1532 CD1 LEU A 94 -7.442 -11.277 -19.549 1.00 22.52 C ATOM 1533 CD2 LEU A 94 -8.074 -12.702 -21.573 1.00 62.45 C ATOM 0 H LEU A 94 -7.494 -12.528 -17.149 1.00 22.00 H new ATOM 0 HA LEU A 94 -10.198 -13.009 -18.041 1.00 52.22 H new ATOM 0 HB2 LEU A 94 -7.488 -13.967 -19.019 1.00 63.24 H new ATOM 0 HB3 LEU A 94 -9.003 -14.406 -19.782 1.00 63.24 H new ATOM 0 HG LEU A 94 -9.415 -11.883 -20.097 1.00 53.35 H new ATOM 0 HD11 LEU A 94 -7.426 -10.410 -20.209 1.00 22.52 H new ATOM 0 HD12 LEU A 94 -7.767 -10.970 -18.555 1.00 22.52 H new ATOM 0 HD13 LEU A 94 -6.441 -11.705 -19.488 1.00 22.52 H new ATOM 0 HD21 LEU A 94 -8.025 -11.793 -22.173 1.00 62.45 H new ATOM 0 HD22 LEU A 94 -7.109 -13.208 -21.601 1.00 62.45 H new ATOM 0 HD23 LEU A 94 -8.841 -13.363 -21.977 1.00 62.45 H new ATOM 1545 N GLU A 95 -10.735 -15.272 -17.086 1.00 51.54 N ATOM 1546 CA GLU A 95 -11.175 -16.523 -16.435 1.00 4.41 C ATOM 1547 C GLU A 95 -10.848 -16.528 -14.906 1.00 64.34 C ATOM 1548 O GLU A 95 -9.724 -16.828 -14.487 1.00 13.31 O ATOM 1549 CB GLU A 95 -10.592 -17.774 -17.174 1.00 43.33 C ATOM 1550 CG GLU A 95 -11.035 -19.140 -16.614 1.00 0.40 C ATOM 1551 CD GLU A 95 -12.560 -19.333 -16.584 1.00 23.11 C ATOM 1552 OE1 GLU A 95 -13.151 -19.674 -17.630 1.00 23.23 O ATOM 1553 OE2 GLU A 95 -13.179 -19.143 -15.512 1.00 3.20 O ATOM 0 H GLU A 95 -11.511 -14.723 -17.457 1.00 51.54 H new ATOM 0 HA GLU A 95 -12.261 -16.578 -16.515 1.00 4.41 H new ATOM 0 HB2 GLU A 95 -10.879 -17.721 -18.224 1.00 43.33 H new ATOM 0 HB3 GLU A 95 -9.504 -17.721 -17.138 1.00 43.33 H new ATOM 0 HG2 GLU A 95 -10.590 -19.931 -17.217 1.00 0.40 H new ATOM 0 HG3 GLU A 95 -10.644 -19.252 -15.603 1.00 0.40 H new ATOM 1560 N HIS A 96 -11.861 -16.184 -14.083 1.00 22.12 N ATOM 1561 CA HIS A 96 -11.741 -16.103 -12.599 1.00 52.21 C ATOM 1562 C HIS A 96 -12.231 -17.403 -11.891 1.00 10.23 C ATOM 1563 O HIS A 96 -12.811 -17.346 -10.792 1.00 22.53 O ATOM 1564 CB HIS A 96 -12.531 -14.862 -12.078 1.00 23.24 C ATOM 1565 CG HIS A 96 -11.863 -13.530 -12.322 1.00 32.21 C ATOM 1566 ND1 HIS A 96 -12.447 -12.511 -13.044 1.00 61.51 N ATOM 1567 CD2 HIS A 96 -10.690 -13.030 -11.863 1.00 62.23 C ATOM 1568 CE1 HIS A 96 -11.667 -11.451 -13.017 1.00 22.55 C ATOM 1569 NE2 HIS A 96 -10.596 -11.737 -12.306 1.00 51.12 N ATOM 0 H HIS A 96 -12.794 -15.952 -14.425 1.00 22.12 H new ATOM 0 HA HIS A 96 -10.684 -15.994 -12.356 1.00 52.21 H new ATOM 0 HB2 HIS A 96 -13.513 -14.851 -12.551 1.00 23.24 H new ATOM 0 HB3 HIS A 96 -12.695 -14.978 -11.007 1.00 23.24 H new ATOM 0 HD2 HIS A 96 -9.964 -13.554 -11.260 1.00 62.23 H new ATOM 0 HE1 HIS A 96 -11.871 -10.505 -13.497 1.00 22.55 H new ATOM 0 HE2 HIS A 96 -9.823 -11.100 -12.116 1.00 51.12 H new ATOM 1578 N HIS A 97 -11.974 -18.573 -12.514 1.00 1.54 N ATOM 1579 CA HIS A 97 -12.280 -19.892 -11.901 1.00 61.44 C ATOM 1580 C HIS A 97 -11.422 -20.141 -10.623 1.00 63.44 C ATOM 1581 O HIS A 97 -10.196 -20.005 -10.644 1.00 71.43 O ATOM 1582 CB HIS A 97 -12.098 -21.039 -12.937 1.00 63.13 C ATOM 1583 CG HIS A 97 -10.728 -21.180 -13.560 1.00 14.43 C ATOM 1584 ND1 HIS A 97 -9.690 -20.293 -13.360 1.00 53.54 N ATOM 1585 CD2 HIS A 97 -10.235 -22.130 -14.393 1.00 22.15 C ATOM 1586 CE1 HIS A 97 -8.638 -20.686 -14.034 1.00 44.02 C ATOM 1587 NE2 HIS A 97 -8.939 -21.797 -14.668 1.00 1.55 N ATOM 0 H HIS A 97 -11.555 -18.635 -13.442 1.00 1.54 H new ATOM 0 HA HIS A 97 -13.325 -19.881 -11.592 1.00 61.44 H new ATOM 0 HB2 HIS A 97 -12.349 -21.981 -12.449 1.00 63.13 H new ATOM 0 HB3 HIS A 97 -12.823 -20.892 -13.738 1.00 63.13 H new ATOM 0 HD2 HIS A 97 -10.768 -22.990 -14.769 1.00 22.15 H new ATOM 0 HE1 HIS A 97 -7.683 -20.182 -14.064 1.00 44.02 H new ATOM 0 HE2 HIS A 97 -8.307 -22.326 -15.269 1.00 1.55 H new ATOM 1596 N HIS A 98 -12.087 -20.494 -9.512 1.00 22.21 N ATOM 1597 CA HIS A 98 -11.427 -20.672 -8.199 1.00 4.24 C ATOM 1598 C HIS A 98 -12.153 -21.777 -7.400 1.00 62.34 C ATOM 1599 O HIS A 98 -13.385 -21.850 -7.431 1.00 44.44 O ATOM 1600 CB HIS A 98 -11.450 -19.320 -7.427 1.00 73.42 C ATOM 1601 CG HIS A 98 -10.569 -19.274 -6.196 1.00 21.41 C ATOM 1602 ND1 HIS A 98 -11.021 -19.566 -4.928 1.00 63.34 N ATOM 1603 CD2 HIS A 98 -9.266 -18.916 -6.044 1.00 44.13 C ATOM 1604 CE1 HIS A 98 -10.050 -19.401 -4.061 1.00 42.34 C ATOM 1605 NE2 HIS A 98 -8.973 -19.003 -4.705 1.00 40.12 N ATOM 0 H HIS A 98 -13.092 -20.665 -9.493 1.00 22.21 H new ATOM 0 HA HIS A 98 -10.390 -20.977 -8.339 1.00 4.24 H new ATOM 0 HB2 HIS A 98 -11.142 -18.525 -8.106 1.00 73.42 H new ATOM 0 HB3 HIS A 98 -12.476 -19.105 -7.130 1.00 73.42 H new ATOM 0 HD1 HIS A 98 -11.968 -19.866 -4.698 1.00 63.34 H new ATOM 0 HD2 HIS A 98 -8.588 -18.619 -6.830 1.00 44.13 H new ATOM 0 HE1 HIS A 98 -10.122 -19.565 -2.996 1.00 42.34 H new ATOM 1614 N HIS A 99 -11.391 -22.647 -6.709 1.00 23.31 N ATOM 1615 CA HIS A 99 -11.974 -23.695 -5.839 1.00 22.25 C ATOM 1616 C HIS A 99 -12.614 -23.064 -4.579 1.00 21.02 C ATOM 1617 O HIS A 99 -12.070 -22.105 -4.021 1.00 12.14 O ATOM 1618 CB HIS A 99 -10.896 -24.737 -5.441 1.00 23.34 C ATOM 1619 CG HIS A 99 -11.414 -25.880 -4.593 1.00 10.35 C ATOM 1620 ND1 HIS A 99 -11.249 -25.940 -3.227 1.00 5.01 N ATOM 1621 CD2 HIS A 99 -12.103 -26.999 -4.925 1.00 10.03 C ATOM 1622 CE1 HIS A 99 -11.806 -27.034 -2.760 1.00 41.51 C ATOM 1623 NE2 HIS A 99 -12.334 -27.696 -3.766 1.00 73.24 N ATOM 0 H HIS A 99 -10.371 -22.647 -6.734 1.00 23.31 H new ATOM 0 HA HIS A 99 -12.756 -24.208 -6.399 1.00 22.25 H new ATOM 0 HB2 HIS A 99 -10.451 -25.146 -6.348 1.00 23.34 H new ATOM 0 HB3 HIS A 99 -10.100 -24.229 -4.897 1.00 23.34 H new ATOM 0 HD2 HIS A 99 -12.413 -27.288 -5.918 1.00 10.03 H new ATOM 0 HE1 HIS A 99 -11.827 -27.339 -1.724 1.00 41.51 H new ATOM 0 HE2 HIS A 99 -12.834 -28.583 -3.696 1.00 73.24 H new ATOM 1632 N HIS A 100 -13.768 -23.612 -4.150 1.00 54.42 N ATOM 1633 CA HIS A 100 -14.494 -23.138 -2.944 1.00 35.25 C ATOM 1634 C HIS A 100 -13.687 -23.357 -1.633 1.00 22.21 C ATOM 1635 O HIS A 100 -12.650 -24.031 -1.627 1.00 73.44 O ATOM 1636 CB HIS A 100 -15.884 -23.832 -2.849 1.00 20.34 C ATOM 1637 CG HIS A 100 -15.859 -25.352 -2.817 1.00 14.03 C ATOM 1638 ND1 HIS A 100 -16.401 -26.131 -3.816 1.00 22.34 N ATOM 1639 CD2 HIS A 100 -15.373 -26.231 -1.900 1.00 21.02 C ATOM 1640 CE1 HIS A 100 -16.262 -27.401 -3.511 1.00 23.23 C ATOM 1641 NE2 HIS A 100 -15.641 -27.491 -2.363 1.00 33.24 N ATOM 0 H HIS A 100 -14.225 -24.391 -4.623 1.00 54.42 H new ATOM 0 HA HIS A 100 -14.630 -22.062 -3.054 1.00 35.25 H new ATOM 0 HB2 HIS A 100 -16.387 -23.476 -1.950 1.00 20.34 H new ATOM 0 HB3 HIS A 100 -16.488 -23.514 -3.699 1.00 20.34 H new ATOM 0 HD2 HIS A 100 -14.869 -25.981 -0.978 1.00 21.02 H new ATOM 0 HE1 HIS A 100 -16.604 -28.233 -4.109 1.00 23.23 H new ATOM 0 HE2 HIS A 100 -15.396 -28.360 -1.889 1.00 33.24 H new ATOM 1650 N HIS A 101 -14.200 -22.799 -0.526 1.00 24.20 N ATOM 1651 CA HIS A 101 -13.608 -22.988 0.813 1.00 4.23 C ATOM 1652 C HIS A 101 -13.908 -24.433 1.336 1.00 51.15 C ATOM 1653 O HIS A 101 -15.034 -24.685 1.814 1.00 37.51 O ATOM 1654 CB HIS A 101 -14.143 -21.903 1.794 1.00 72.24 C ATOM 1655 CG HIS A 101 -13.430 -21.878 3.125 1.00 14.15 C ATOM 1656 ND1 HIS A 101 -13.728 -22.741 4.157 1.00 41.55 N ATOM 1657 CD2 HIS A 101 -12.413 -21.101 3.579 1.00 45.34 C ATOM 1658 CE1 HIS A 101 -12.934 -22.500 5.178 1.00 11.21 C ATOM 1659 NE2 HIS A 101 -12.128 -21.514 4.854 1.00 62.42 N ATOM 1660 OXT HIS A 101 -13.027 -25.309 1.243 1.00 37.51 O ATOM 0 H HIS A 101 -15.031 -22.208 -0.530 1.00 24.20 H new ATOM 0 HA HIS A 101 -12.526 -22.874 0.747 1.00 4.23 H new ATOM 0 HB2 HIS A 101 -14.049 -20.924 1.324 1.00 72.24 H new ATOM 0 HB3 HIS A 101 -15.206 -22.074 1.965 1.00 72.24 H new ATOM 0 HD2 HIS A 101 -11.921 -20.307 3.037 1.00 45.34 H new ATOM 0 HE1 HIS A 101 -12.943 -23.024 6.122 1.00 11.21 H new ATOM 0 HE2 HIS A 101 -11.405 -21.119 5.456 1.00 62.42 H new TER 1669 HIS A 101