USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 29 TYR OH : rot -24:sc= 1.53 USER MOD Set 1.2: A 70 SER OG : rot 80:sc= 1.45 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 1.45 (180deg=1.31) USER MOD Single : A 4 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.72) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -30:sc= -1.93! USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.195 (180deg=0.186) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 20 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.0003) USER MOD Single : A 24 MET CE :methyl 145:sc= -0.969 (180deg=-1.34) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.488 (180deg=0.469) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 37 LYS NZ :NH3+ 139:sc= -0.173 (180deg=-2.48!) USER MOD Single : A 38 MET CE :methyl 177:sc= -1.4 (180deg=-1.42) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.118 K(o=0.12,f=-0.89) USER MOD Single : A 61 THR OG1 : rot -54:sc= 0.0457 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.106 (180deg=-1.07!) USER MOD Single : A 76 THR OG1 : rot -21:sc= 0.331 USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= 0.696 (180deg=0.493) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -148:sc= -1.26 (180deg=-3.04) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.27) USER MOD Single : A 102 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.66) USER MOD Single : A 103 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.919 -15.097 -0.164 1.00 75.21 N ATOM 2 CA ALA A 1 -11.892 -15.282 0.929 1.00 60.44 C ATOM 3 C ALA A 1 -12.259 -13.904 1.486 1.00 52.03 C ATOM 4 O ALA A 1 -11.728 -13.449 2.510 1.00 35.31 O ATOM 5 CB ALA A 1 -11.319 -16.229 1.999 1.00 12.15 C ATOM 0 H1 ALA A 1 -10.618 -16.026 -0.522 1.00 75.21 H new ATOM 0 H2 ALA A 1 -11.361 -14.555 -0.934 1.00 75.21 H new ATOM 0 H3 ALA A 1 -10.091 -14.579 0.193 1.00 75.21 H new ATOM 0 HA ALA A 1 -12.804 -15.754 0.563 1.00 60.44 H new ATOM 0 HB1 ALA A 1 -12.048 -16.357 2.800 1.00 12.15 H new ATOM 0 HB2 ALA A 1 -11.101 -17.197 1.549 1.00 12.15 H new ATOM 0 HB3 ALA A 1 -10.402 -15.804 2.407 1.00 12.15 H new ATOM 13 N ASP A 2 -13.154 -13.231 0.759 1.00 41.34 N ATOM 14 CA ASP A 2 -13.432 -11.797 0.919 1.00 11.45 C ATOM 15 C ASP A 2 -14.938 -11.546 1.086 1.00 32.33 C ATOM 16 O ASP A 2 -15.711 -11.620 0.132 1.00 42.44 O ATOM 17 CB ASP A 2 -12.857 -11.017 -0.299 1.00 62.03 C ATOM 18 CG ASP A 2 -13.171 -11.681 -1.655 1.00 73.54 C ATOM 19 OD1 ASP A 2 -12.444 -12.629 -2.041 1.00 62.43 O ATOM 20 OD2 ASP A 2 -14.144 -11.287 -2.326 1.00 10.22 O ATOM 0 H ASP A 2 -13.716 -13.672 0.031 1.00 41.34 H new ATOM 0 HA ASP A 2 -12.944 -11.437 1.825 1.00 11.45 H new ATOM 0 HB2 ASP A 2 -13.261 -10.005 -0.296 1.00 62.03 H new ATOM 0 HB3 ASP A 2 -11.776 -10.929 -0.187 1.00 62.03 H new ATOM 25 N GLU A 3 -15.342 -11.294 2.332 1.00 3.44 N ATOM 26 CA GLU A 3 -16.712 -10.891 2.693 1.00 52.41 C ATOM 27 C GLU A 3 -16.673 -9.448 3.226 1.00 74.41 C ATOM 28 O GLU A 3 -17.214 -8.521 2.609 1.00 41.31 O ATOM 29 CB GLU A 3 -17.309 -11.875 3.757 1.00 45.04 C ATOM 30 CG GLU A 3 -18.691 -11.476 4.340 1.00 23.21 C ATOM 31 CD GLU A 3 -19.786 -11.312 3.269 1.00 52.24 C ATOM 32 OE1 GLU A 3 -20.422 -12.315 2.885 1.00 4.50 O ATOM 33 OE2 GLU A 3 -20.019 -10.176 2.802 1.00 13.24 O ATOM 0 H GLU A 3 -14.719 -11.364 3.137 1.00 3.44 H new ATOM 0 HA GLU A 3 -17.358 -10.932 1.816 1.00 52.41 H new ATOM 0 HB2 GLU A 3 -17.398 -12.862 3.303 1.00 45.04 H new ATOM 0 HB3 GLU A 3 -16.600 -11.965 4.580 1.00 45.04 H new ATOM 0 HG2 GLU A 3 -19.006 -12.234 5.057 1.00 23.21 H new ATOM 0 HG3 GLU A 3 -18.588 -10.540 4.889 1.00 23.21 H new ATOM 40 N ASN A 4 -15.987 -9.277 4.366 1.00 21.25 N ATOM 41 CA ASN A 4 -15.829 -7.983 5.053 1.00 21.32 C ATOM 42 C ASN A 4 -14.852 -7.067 4.268 1.00 41.41 C ATOM 43 O ASN A 4 -14.926 -5.832 4.359 1.00 51.42 O ATOM 44 CB ASN A 4 -15.333 -8.253 6.497 1.00 33.54 C ATOM 45 CG ASN A 4 -15.373 -7.020 7.395 1.00 53.24 C ATOM 46 OD1 ASN A 4 -14.387 -6.309 7.534 1.00 65.53 O ATOM 47 ND2 ASN A 4 -16.523 -6.745 7.995 1.00 43.22 N ATOM 0 H ASN A 4 -15.518 -10.046 4.846 1.00 21.25 H new ATOM 0 HA ASN A 4 -16.784 -7.459 5.099 1.00 21.32 H new ATOM 0 HB2 ASN A 4 -15.945 -9.037 6.942 1.00 33.54 H new ATOM 0 HB3 ASN A 4 -14.311 -8.631 6.457 1.00 33.54 H new ATOM 0 HD21 ASN A 4 -16.603 -5.922 8.592 1.00 43.22 H new ATOM 0 HD22 ASN A 4 -17.328 -7.357 7.860 1.00 43.22 H new ATOM 54 N ILE A 5 -13.971 -7.715 3.466 1.00 4.41 N ATOM 55 CA ILE A 5 -13.005 -7.041 2.574 1.00 31.24 C ATOM 56 C ILE A 5 -13.744 -6.263 1.472 1.00 32.20 C ATOM 57 O ILE A 5 -13.366 -5.133 1.140 1.00 1.31 O ATOM 58 CB ILE A 5 -12.013 -8.071 1.913 1.00 5.51 C ATOM 59 CG1 ILE A 5 -11.355 -8.964 3.009 1.00 31.03 C ATOM 60 CG2 ILE A 5 -10.943 -7.350 1.036 1.00 21.11 C ATOM 61 CD1 ILE A 5 -10.354 -9.979 2.489 1.00 54.33 C ATOM 0 H ILE A 5 -13.914 -8.732 3.423 1.00 4.41 H new ATOM 0 HA ILE A 5 -12.426 -6.348 3.185 1.00 31.24 H new ATOM 0 HB ILE A 5 -12.582 -8.718 1.246 1.00 5.51 H new ATOM 0 HG12 ILE A 5 -10.855 -8.319 3.731 1.00 31.03 H new ATOM 0 HG13 ILE A 5 -12.142 -9.493 3.546 1.00 31.03 H new ATOM 0 HG21 ILE A 5 -10.275 -8.090 0.595 1.00 21.11 H new ATOM 0 HG22 ILE A 5 -11.439 -6.791 0.243 1.00 21.11 H new ATOM 0 HG23 ILE A 5 -10.366 -6.664 1.657 1.00 21.11 H new ATOM 0 HD11 ILE A 5 -9.950 -10.552 3.324 1.00 54.33 H new ATOM 0 HD12 ILE A 5 -10.849 -10.654 1.791 1.00 54.33 H new ATOM 0 HD13 ILE A 5 -9.542 -9.461 1.978 1.00 54.33 H new ATOM 73 N ALA A 6 -14.827 -6.881 0.948 1.00 32.11 N ATOM 74 CA ALA A 6 -15.644 -6.321 -0.145 1.00 10.11 C ATOM 75 C ALA A 6 -16.271 -4.965 0.235 1.00 72.54 C ATOM 76 O ALA A 6 -16.543 -4.144 -0.644 1.00 74.11 O ATOM 77 CB ALA A 6 -16.728 -7.328 -0.565 1.00 11.11 C ATOM 0 H ALA A 6 -15.158 -7.788 1.276 1.00 32.11 H new ATOM 0 HA ALA A 6 -14.983 -6.138 -0.992 1.00 10.11 H new ATOM 0 HB1 ALA A 6 -17.325 -6.904 -1.372 1.00 11.11 H new ATOM 0 HB2 ALA A 6 -16.256 -8.249 -0.908 1.00 11.11 H new ATOM 0 HB3 ALA A 6 -17.372 -7.546 0.287 1.00 11.11 H new ATOM 83 N LYS A 7 -16.476 -4.739 1.553 1.00 63.51 N ATOM 84 CA LYS A 7 -16.990 -3.465 2.080 1.00 60.44 C ATOM 85 C LYS A 7 -15.933 -2.348 1.918 1.00 31.22 C ATOM 86 O LYS A 7 -16.266 -1.221 1.537 1.00 10.24 O ATOM 87 CB LYS A 7 -17.376 -3.597 3.577 1.00 0.04 C ATOM 88 CG LYS A 7 -18.094 -2.347 4.153 1.00 3.24 C ATOM 89 CD LYS A 7 -18.189 -2.341 5.696 1.00 33.03 C ATOM 90 CE LYS A 7 -16.810 -2.235 6.380 1.00 11.53 C ATOM 91 NZ LYS A 7 -16.925 -2.028 7.847 1.00 44.21 N ATOM 0 H LYS A 7 -16.289 -5.435 2.274 1.00 63.51 H new ATOM 0 HA LYS A 7 -17.882 -3.205 1.509 1.00 60.44 H new ATOM 0 HB2 LYS A 7 -18.024 -4.465 3.700 1.00 0.04 H new ATOM 0 HB3 LYS A 7 -16.474 -3.787 4.159 1.00 0.04 H new ATOM 0 HG2 LYS A 7 -17.564 -1.452 3.827 1.00 3.24 H new ATOM 0 HG3 LYS A 7 -19.099 -2.292 3.736 1.00 3.24 H new ATOM 0 HD2 LYS A 7 -18.812 -1.505 6.014 1.00 33.03 H new ATOM 0 HD3 LYS A 7 -18.685 -3.253 6.028 1.00 33.03 H new ATOM 0 HE2 LYS A 7 -16.240 -3.144 6.187 1.00 11.53 H new ATOM 0 HE3 LYS A 7 -16.251 -1.409 5.941 1.00 11.53 H new ATOM 0 HZ1 LYS A 7 -15.974 -1.963 8.264 1.00 44.21 H new ATOM 0 HZ2 LYS A 7 -17.446 -1.148 8.034 1.00 44.21 H new ATOM 0 HZ3 LYS A 7 -17.435 -2.829 8.272 1.00 44.21 H new ATOM 105 N PHE A 8 -14.658 -2.685 2.228 1.00 15.12 N ATOM 106 CA PHE A 8 -13.509 -1.742 2.133 1.00 61.20 C ATOM 107 C PHE A 8 -13.266 -1.351 0.663 1.00 12.41 C ATOM 108 O PHE A 8 -12.963 -0.192 0.339 1.00 52.45 O ATOM 109 CB PHE A 8 -12.215 -2.377 2.727 1.00 10.45 C ATOM 110 CG PHE A 8 -12.355 -2.951 4.140 1.00 75.03 C ATOM 111 CD1 PHE A 8 -13.028 -2.256 5.139 1.00 4.23 C ATOM 112 CD2 PHE A 8 -11.793 -4.183 4.468 1.00 40.54 C ATOM 113 CE1 PHE A 8 -13.136 -2.774 6.415 1.00 31.22 C ATOM 114 CE2 PHE A 8 -11.905 -4.699 5.743 1.00 34.13 C ATOM 115 CZ PHE A 8 -12.573 -3.993 6.715 1.00 14.23 C ATOM 0 H PHE A 8 -14.394 -3.616 2.551 1.00 15.12 H new ATOM 0 HA PHE A 8 -13.754 -0.851 2.710 1.00 61.20 H new ATOM 0 HB2 PHE A 8 -11.882 -3.173 2.061 1.00 10.45 H new ATOM 0 HB3 PHE A 8 -11.430 -1.620 2.736 1.00 10.45 H new ATOM 0 HD1 PHE A 8 -13.472 -1.298 4.914 1.00 4.23 H new ATOM 0 HD2 PHE A 8 -11.261 -4.743 3.713 1.00 40.54 H new ATOM 0 HE1 PHE A 8 -13.663 -2.221 7.178 1.00 31.22 H new ATOM 0 HE2 PHE A 8 -11.467 -5.658 5.977 1.00 34.13 H new ATOM 0 HZ PHE A 8 -12.656 -4.395 7.714 1.00 14.23 H new ATOM 125 N GLU A 9 -13.421 -2.360 -0.209 1.00 2.15 N ATOM 126 CA GLU A 9 -13.278 -2.226 -1.666 1.00 41.50 C ATOM 127 C GLU A 9 -14.399 -1.351 -2.244 1.00 33.13 C ATOM 128 O GLU A 9 -14.150 -0.494 -3.102 1.00 4.22 O ATOM 129 CB GLU A 9 -13.250 -3.638 -2.307 1.00 41.02 C ATOM 130 CG GLU A 9 -12.076 -4.504 -1.792 1.00 1.15 C ATOM 131 CD GLU A 9 -12.012 -5.919 -2.381 1.00 34.41 C ATOM 132 OE1 GLU A 9 -12.743 -6.799 -1.893 1.00 50.41 O ATOM 133 OE2 GLU A 9 -11.228 -6.156 -3.333 1.00 64.23 O ATOM 0 H GLU A 9 -13.653 -3.309 0.085 1.00 2.15 H new ATOM 0 HA GLU A 9 -12.338 -1.725 -1.900 1.00 41.50 H new ATOM 0 HB2 GLU A 9 -14.191 -4.147 -2.097 1.00 41.02 H new ATOM 0 HB3 GLU A 9 -13.176 -3.540 -3.390 1.00 41.02 H new ATOM 0 HG2 GLU A 9 -11.140 -3.991 -2.014 1.00 1.15 H new ATOM 0 HG3 GLU A 9 -12.148 -4.580 -0.707 1.00 1.15 H new ATOM 140 N LYS A 10 -15.614 -1.544 -1.721 1.00 3.31 N ATOM 141 CA LYS A 10 -16.802 -0.780 -2.130 1.00 4.00 C ATOM 142 C LYS A 10 -16.722 0.684 -1.635 1.00 45.34 C ATOM 143 O LYS A 10 -17.197 1.600 -2.315 1.00 2.31 O ATOM 144 CB LYS A 10 -18.066 -1.482 -1.576 1.00 41.02 C ATOM 145 CG LYS A 10 -19.403 -0.821 -1.965 1.00 14.13 C ATOM 146 CD LYS A 10 -20.619 -1.538 -1.338 1.00 65.04 C ATOM 147 CE LYS A 10 -21.949 -0.885 -1.717 1.00 75.34 C ATOM 148 NZ LYS A 10 -23.100 -1.618 -1.140 1.00 44.40 N ATOM 0 H LYS A 10 -15.804 -2.238 -0.998 1.00 3.31 H new ATOM 0 HA LYS A 10 -16.851 -0.749 -3.218 1.00 4.00 H new ATOM 0 HB2 LYS A 10 -18.073 -2.514 -1.927 1.00 41.02 H new ATOM 0 HB3 LYS A 10 -17.997 -1.515 -0.489 1.00 41.02 H new ATOM 0 HG2 LYS A 10 -19.396 0.222 -1.647 1.00 14.13 H new ATOM 0 HG3 LYS A 10 -19.504 -0.823 -3.050 1.00 14.13 H new ATOM 0 HD2 LYS A 10 -20.626 -2.580 -1.658 1.00 65.04 H new ATOM 0 HD3 LYS A 10 -20.515 -1.539 -0.253 1.00 65.04 H new ATOM 0 HE2 LYS A 10 -21.961 0.147 -1.366 1.00 75.34 H new ATOM 0 HE3 LYS A 10 -22.044 -0.854 -2.802 1.00 75.34 H new ATOM 0 HZ1 LYS A 10 -23.985 -1.148 -1.417 1.00 44.40 H new ATOM 0 HZ2 LYS A 10 -23.102 -2.596 -1.494 1.00 44.40 H new ATOM 0 HZ3 LYS A 10 -23.022 -1.626 -0.103 1.00 44.40 H new ATOM 162 N ALA A 11 -16.075 0.882 -0.464 1.00 45.51 N ATOM 163 CA ALA A 11 -16.002 2.195 0.221 1.00 63.21 C ATOM 164 C ALA A 11 -15.228 3.249 -0.590 1.00 23.32 C ATOM 165 O ALA A 11 -15.451 4.458 -0.417 1.00 45.25 O ATOM 166 CB ALA A 11 -15.362 2.030 1.606 1.00 55.12 C ATOM 0 H ALA A 11 -15.588 0.136 0.034 1.00 45.51 H new ATOM 0 HA ALA A 11 -17.025 2.557 0.323 1.00 63.21 H new ATOM 0 HB1 ALA A 11 -15.312 2.999 2.102 1.00 55.12 H new ATOM 0 HB2 ALA A 11 -15.963 1.346 2.205 1.00 55.12 H new ATOM 0 HB3 ALA A 11 -14.355 1.627 1.496 1.00 55.12 H new ATOM 172 N TYR A 12 -14.326 2.786 -1.468 1.00 21.00 N ATOM 173 CA TYR A 12 -13.472 3.673 -2.264 1.00 50.42 C ATOM 174 C TYR A 12 -14.312 4.377 -3.358 1.00 43.41 C ATOM 175 O TYR A 12 -15.006 3.718 -4.127 1.00 51.32 O ATOM 176 CB TYR A 12 -12.293 2.872 -2.893 1.00 51.54 C ATOM 177 CG TYR A 12 -11.085 3.751 -3.247 1.00 11.50 C ATOM 178 CD1 TYR A 12 -11.041 4.501 -4.421 1.00 35.45 C ATOM 179 CD2 TYR A 12 -10.007 3.851 -2.379 1.00 54.10 C ATOM 180 CE1 TYR A 12 -9.958 5.304 -4.714 1.00 14.11 C ATOM 181 CE2 TYR A 12 -8.935 4.648 -2.666 1.00 45.44 C ATOM 182 CZ TYR A 12 -8.912 5.373 -3.830 1.00 54.10 C ATOM 183 OH TYR A 12 -7.816 6.140 -4.115 1.00 73.13 O ATOM 0 H TYR A 12 -14.170 1.793 -1.644 1.00 21.00 H new ATOM 0 HA TYR A 12 -13.049 4.437 -1.612 1.00 50.42 H new ATOM 0 HB2 TYR A 12 -11.977 2.096 -2.196 1.00 51.54 H new ATOM 0 HB3 TYR A 12 -12.644 2.368 -3.794 1.00 51.54 H new ATOM 0 HD1 TYR A 12 -11.869 4.453 -5.113 1.00 35.45 H new ATOM 0 HD2 TYR A 12 -10.016 3.287 -1.458 1.00 54.10 H new ATOM 0 HE1 TYR A 12 -9.934 5.873 -5.632 1.00 14.11 H new ATOM 0 HE2 TYR A 12 -8.106 4.707 -1.976 1.00 45.44 H new ATOM 0 HH TYR A 12 -7.686 6.177 -5.086 1.00 73.13 H new ATOM 193 N LYS A 13 -14.232 5.715 -3.399 1.00 32.33 N ATOM 194 CA LYS A 13 -14.949 6.583 -4.370 1.00 63.41 C ATOM 195 C LYS A 13 -13.931 7.267 -5.326 1.00 72.01 C ATOM 196 O LYS A 13 -12.829 6.745 -5.526 1.00 4.34 O ATOM 197 CB LYS A 13 -15.789 7.638 -3.586 1.00 42.43 C ATOM 198 CG LYS A 13 -16.914 7.044 -2.718 1.00 23.31 C ATOM 199 CD LYS A 13 -17.722 8.133 -1.968 1.00 72.53 C ATOM 200 CE LYS A 13 -18.909 7.557 -1.176 1.00 71.22 C ATOM 201 NZ LYS A 13 -18.477 6.591 -0.134 1.00 42.14 N ATOM 0 H LYS A 13 -13.655 6.245 -2.746 1.00 32.33 H new ATOM 0 HA LYS A 13 -15.624 5.983 -4.980 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -15.120 8.214 -2.946 1.00 42.43 H new ATOM 0 HB3 LYS A 13 -16.228 8.336 -4.299 1.00 42.43 H new ATOM 0 HG2 LYS A 13 -17.589 6.466 -3.349 1.00 23.31 H new ATOM 0 HG3 LYS A 13 -16.483 6.352 -1.994 1.00 23.31 H new ATOM 0 HD2 LYS A 13 -17.059 8.664 -1.285 1.00 72.53 H new ATOM 0 HD3 LYS A 13 -18.092 8.864 -2.687 1.00 72.53 H new ATOM 0 HE2 LYS A 13 -19.459 8.372 -0.706 1.00 71.22 H new ATOM 0 HE3 LYS A 13 -19.596 7.063 -1.863 1.00 71.22 H new ATOM 0 HZ1 LYS A 13 -19.303 6.282 0.417 1.00 42.14 H new ATOM 0 HZ2 LYS A 13 -18.035 5.766 -0.587 1.00 42.14 H new ATOM 0 HZ3 LYS A 13 -17.790 7.048 0.499 1.00 42.14 H new ATOM 215 N LYS A 14 -14.310 8.419 -5.924 1.00 50.43 N ATOM 216 CA LYS A 14 -13.469 9.153 -6.890 1.00 50.30 C ATOM 217 C LYS A 14 -12.354 9.981 -6.183 1.00 33.25 C ATOM 218 O LYS A 14 -12.502 11.183 -5.914 1.00 12.30 O ATOM 219 CB LYS A 14 -14.374 10.012 -7.822 1.00 0.11 C ATOM 220 CG LYS A 14 -15.319 11.006 -7.094 1.00 22.51 C ATOM 221 CD LYS A 14 -16.326 11.693 -8.042 1.00 13.51 C ATOM 222 CE LYS A 14 -17.362 10.718 -8.622 1.00 34.32 C ATOM 223 NZ LYS A 14 -18.237 11.378 -9.624 1.00 54.45 N ATOM 0 H LYS A 14 -15.210 8.865 -5.748 1.00 50.43 H new ATOM 0 HA LYS A 14 -12.936 8.436 -7.514 1.00 50.30 H new ATOM 0 HB2 LYS A 14 -13.736 10.575 -8.503 1.00 0.11 H new ATOM 0 HB3 LYS A 14 -14.979 9.342 -8.433 1.00 0.11 H new ATOM 0 HG2 LYS A 14 -15.867 10.473 -6.317 1.00 22.51 H new ATOM 0 HG3 LYS A 14 -14.720 11.769 -6.596 1.00 22.51 H new ATOM 0 HD2 LYS A 14 -16.843 12.486 -7.502 1.00 13.51 H new ATOM 0 HD3 LYS A 14 -15.783 12.167 -8.860 1.00 13.51 H new ATOM 0 HE2 LYS A 14 -16.849 9.875 -9.086 1.00 34.32 H new ATOM 0 HE3 LYS A 14 -17.973 10.314 -7.815 1.00 34.32 H new ATOM 0 HZ1 LYS A 14 -18.986 10.719 -9.918 1.00 54.45 H new ATOM 0 HZ2 LYS A 14 -18.667 12.227 -9.204 1.00 54.45 H new ATOM 0 HZ3 LYS A 14 -17.671 11.651 -10.453 1.00 54.45 H new ATOM 237 N ALA A 15 -11.242 9.295 -5.862 1.00 10.22 N ATOM 238 CA ALA A 15 -10.052 9.910 -5.222 1.00 33.22 C ATOM 239 C ALA A 15 -9.019 10.366 -6.259 1.00 13.22 C ATOM 240 O ALA A 15 -8.025 11.008 -5.915 1.00 22.51 O ATOM 241 CB ALA A 15 -9.406 8.917 -4.254 1.00 4.11 C ATOM 0 H ALA A 15 -11.138 8.296 -6.037 1.00 10.22 H new ATOM 0 HA ALA A 15 -10.391 10.791 -4.676 1.00 33.22 H new ATOM 0 HB1 ALA A 15 -8.534 9.377 -3.789 1.00 4.11 H new ATOM 0 HB2 ALA A 15 -10.125 8.641 -3.483 1.00 4.11 H new ATOM 0 HB3 ALA A 15 -9.098 8.025 -4.799 1.00 4.11 H new ATOM 247 N GLU A 16 -9.253 10.010 -7.519 1.00 65.34 N ATOM 248 CA GLU A 16 -8.331 10.284 -8.636 1.00 22.34 C ATOM 249 C GLU A 16 -9.001 11.245 -9.631 1.00 73.45 C ATOM 250 O GLU A 16 -8.322 12.081 -10.237 1.00 3.33 O ATOM 251 CB GLU A 16 -7.888 8.946 -9.325 1.00 12.30 C ATOM 252 CG GLU A 16 -8.988 8.135 -10.073 1.00 1.01 C ATOM 253 CD GLU A 16 -10.157 7.660 -9.182 1.00 45.31 C ATOM 254 OE1 GLU A 16 -9.979 6.693 -8.406 1.00 74.41 O ATOM 255 OE2 GLU A 16 -11.241 8.281 -9.223 1.00 12.30 O ATOM 0 H GLU A 16 -10.098 9.516 -7.805 1.00 65.34 H new ATOM 0 HA GLU A 16 -7.429 10.763 -8.255 1.00 22.34 H new ATOM 0 HB2 GLU A 16 -7.096 9.178 -10.037 1.00 12.30 H new ATOM 0 HB3 GLU A 16 -7.452 8.301 -8.562 1.00 12.30 H new ATOM 0 HG2 GLU A 16 -9.389 8.750 -10.878 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -8.526 7.264 -10.537 1.00 1.01 H new ATOM 262 N GLU A 17 -10.339 11.131 -9.777 1.00 13.51 N ATOM 263 CA GLU A 17 -11.148 12.008 -10.652 1.00 53.12 C ATOM 264 C GLU A 17 -11.309 13.404 -10.013 1.00 52.01 C ATOM 265 O GLU A 17 -11.324 14.424 -10.714 1.00 24.12 O ATOM 266 CB GLU A 17 -12.531 11.357 -10.924 1.00 73.31 C ATOM 267 CG GLU A 17 -13.430 12.143 -11.909 1.00 1.31 C ATOM 268 CD GLU A 17 -14.799 11.487 -12.157 1.00 24.52 C ATOM 269 OE1 GLU A 17 -14.891 10.579 -13.016 1.00 41.53 O ATOM 270 OE2 GLU A 17 -15.782 11.846 -11.477 1.00 2.14 O ATOM 0 H GLU A 17 -10.891 10.425 -9.289 1.00 13.51 H new ATOM 0 HA GLU A 17 -10.633 12.132 -11.605 1.00 53.12 H new ATOM 0 HB2 GLU A 17 -12.374 10.353 -11.318 1.00 73.31 H new ATOM 0 HB3 GLU A 17 -13.060 11.249 -9.977 1.00 73.31 H new ATOM 0 HG2 GLU A 17 -13.585 13.150 -11.521 1.00 1.31 H new ATOM 0 HG3 GLU A 17 -12.908 12.245 -12.861 1.00 1.31 H new ATOM 277 N LEU A 18 -11.427 13.420 -8.674 1.00 13.01 N ATOM 278 CA LEU A 18 -11.505 14.656 -7.859 1.00 74.32 C ATOM 279 C LEU A 18 -10.403 14.632 -6.790 1.00 12.12 C ATOM 280 O LEU A 18 -10.062 13.563 -6.270 1.00 62.34 O ATOM 281 CB LEU A 18 -12.902 14.791 -7.184 1.00 51.13 C ATOM 282 CG LEU A 18 -14.113 15.074 -8.128 1.00 63.20 C ATOM 283 CD1 LEU A 18 -15.430 15.175 -7.332 1.00 62.32 C ATOM 284 CD2 LEU A 18 -13.880 16.350 -8.963 1.00 71.34 C ATOM 0 H LEU A 18 -11.472 12.567 -8.116 1.00 13.01 H new ATOM 0 HA LEU A 18 -11.362 15.516 -8.513 1.00 74.32 H new ATOM 0 HB2 LEU A 18 -13.105 13.871 -6.636 1.00 51.13 H new ATOM 0 HB3 LEU A 18 -12.849 15.594 -6.449 1.00 51.13 H new ATOM 0 HG LEU A 18 -14.199 14.232 -8.814 1.00 63.20 H new ATOM 0 HD11 LEU A 18 -16.255 15.373 -8.017 1.00 62.32 H new ATOM 0 HD12 LEU A 18 -15.611 14.237 -6.807 1.00 62.32 H new ATOM 0 HD13 LEU A 18 -15.357 15.987 -6.609 1.00 62.32 H new ATOM 0 HD21 LEU A 18 -14.739 16.523 -9.611 1.00 71.34 H new ATOM 0 HD22 LEU A 18 -13.751 17.203 -8.296 1.00 71.34 H new ATOM 0 HD23 LEU A 18 -12.985 16.228 -9.572 1.00 71.34 H new ATOM 296 N ASN A 19 -9.852 15.823 -6.471 1.00 21.22 N ATOM 297 CA ASN A 19 -8.867 15.994 -5.387 1.00 1.44 C ATOM 298 C ASN A 19 -9.601 15.985 -4.040 1.00 71.24 C ATOM 299 O ASN A 19 -10.060 17.025 -3.553 1.00 74.32 O ATOM 300 CB ASN A 19 -8.036 17.298 -5.559 1.00 14.30 C ATOM 301 CG ASN A 19 -7.191 17.321 -6.833 1.00 53.33 C ATOM 302 OD1 ASN A 19 -6.732 16.286 -7.315 1.00 33.41 O ATOM 303 ND2 ASN A 19 -6.959 18.502 -7.380 1.00 5.21 N ATOM 0 H ASN A 19 -10.079 16.690 -6.958 1.00 21.22 H new ATOM 0 HA ASN A 19 -8.159 15.166 -5.424 1.00 1.44 H new ATOM 0 HB2 ASN A 19 -8.713 18.152 -5.566 1.00 14.30 H new ATOM 0 HB3 ASN A 19 -7.381 17.418 -4.696 1.00 14.30 H new ATOM 0 HD21 ASN A 19 -6.387 18.571 -8.222 1.00 5.21 H new ATOM 0 HD22 ASN A 19 -7.352 19.345 -6.960 1.00 5.21 H new ATOM 310 N GLN A 20 -9.791 14.781 -3.509 1.00 73.31 N ATOM 311 CA GLN A 20 -10.436 14.545 -2.207 1.00 1.22 C ATOM 312 C GLN A 20 -10.046 13.156 -1.690 1.00 21.31 C ATOM 313 O GLN A 20 -10.772 12.533 -0.907 1.00 55.35 O ATOM 314 CB GLN A 20 -11.985 14.708 -2.321 1.00 61.22 C ATOM 315 CG GLN A 20 -12.675 13.788 -3.344 1.00 44.54 C ATOM 316 CD GLN A 20 -14.192 13.964 -3.354 1.00 22.01 C ATOM 317 OE1 GLN A 20 -14.917 13.272 -2.642 1.00 61.13 O ATOM 318 NE2 GLN A 20 -14.686 14.925 -4.119 1.00 53.14 N ATOM 0 H GLN A 20 -9.498 13.922 -3.974 1.00 73.31 H new ATOM 0 HA GLN A 20 -10.089 15.288 -1.489 1.00 1.22 H new ATOM 0 HB2 GLN A 20 -12.425 14.526 -1.340 1.00 61.22 H new ATOM 0 HB3 GLN A 20 -12.206 15.743 -2.583 1.00 61.22 H new ATOM 0 HG2 GLN A 20 -12.281 13.996 -4.339 1.00 44.54 H new ATOM 0 HG3 GLN A 20 -12.434 12.750 -3.116 1.00 44.54 H new ATOM 0 HE21 GLN A 20 -14.063 15.485 -4.701 1.00 53.14 H new ATOM 0 HE22 GLN A 20 -15.690 15.105 -4.127 1.00 53.14 H new ATOM 327 N GLY A 21 -8.833 12.714 -2.083 1.00 60.22 N ATOM 328 CA GLY A 21 -8.338 11.373 -1.778 1.00 5.34 C ATOM 329 C GLY A 21 -7.919 11.176 -0.323 1.00 64.23 C ATOM 330 O GLY A 21 -7.461 10.096 0.037 1.00 41.12 O ATOM 0 H GLY A 21 -8.177 13.282 -2.619 1.00 60.22 H new ATOM 0 HA2 GLY A 21 -9.114 10.647 -2.022 1.00 5.34 H new ATOM 0 HA3 GLY A 21 -7.486 11.157 -2.422 1.00 5.34 H new ATOM 334 N GLU A 22 -8.033 12.242 0.500 1.00 41.05 N ATOM 335 CA GLU A 22 -7.863 12.164 1.967 1.00 1.42 C ATOM 336 C GLU A 22 -9.017 11.351 2.584 1.00 43.33 C ATOM 337 O GLU A 22 -8.845 10.650 3.586 1.00 70.33 O ATOM 338 CB GLU A 22 -7.812 13.595 2.579 1.00 62.23 C ATOM 339 CG GLU A 22 -9.064 14.455 2.284 1.00 20.13 C ATOM 340 CD GLU A 22 -9.038 15.834 2.960 1.00 34.10 C ATOM 341 OE1 GLU A 22 -9.224 15.903 4.188 1.00 55.31 O ATOM 342 OE2 GLU A 22 -8.830 16.856 2.271 1.00 73.02 O ATOM 0 H GLU A 22 -8.246 13.182 0.165 1.00 41.05 H new ATOM 0 HA GLU A 22 -6.922 11.662 2.192 1.00 1.42 H new ATOM 0 HB2 GLU A 22 -7.688 13.512 3.659 1.00 62.23 H new ATOM 0 HB3 GLU A 22 -6.932 14.111 2.196 1.00 62.23 H new ATOM 0 HG2 GLU A 22 -9.156 14.590 1.206 1.00 20.13 H new ATOM 0 HG3 GLU A 22 -9.951 13.915 2.614 1.00 20.13 H new ATOM 349 N LEU A 23 -10.195 11.439 1.939 1.00 40.52 N ATOM 350 CA LEU A 23 -11.410 10.701 2.335 1.00 60.21 C ATOM 351 C LEU A 23 -11.265 9.198 1.983 1.00 22.02 C ATOM 352 O LEU A 23 -11.986 8.343 2.504 1.00 0.20 O ATOM 353 CB LEU A 23 -12.642 11.319 1.615 1.00 24.03 C ATOM 354 CG LEU A 23 -12.811 12.871 1.764 1.00 4.12 C ATOM 355 CD1 LEU A 23 -14.000 13.398 0.939 1.00 1.34 C ATOM 356 CD2 LEU A 23 -12.924 13.296 3.247 1.00 11.42 C ATOM 0 H LEU A 23 -10.332 12.031 1.119 1.00 40.52 H new ATOM 0 HA LEU A 23 -11.550 10.782 3.413 1.00 60.21 H new ATOM 0 HB2 LEU A 23 -12.577 11.080 0.554 1.00 24.03 H new ATOM 0 HB3 LEU A 23 -13.542 10.836 1.996 1.00 24.03 H new ATOM 0 HG LEU A 23 -11.907 13.328 1.362 1.00 4.12 H new ATOM 0 HD11 LEU A 23 -14.083 14.477 1.069 1.00 1.34 H new ATOM 0 HD12 LEU A 23 -13.841 13.171 -0.115 1.00 1.34 H new ATOM 0 HD13 LEU A 23 -14.919 12.920 1.278 1.00 1.34 H new ATOM 0 HD21 LEU A 23 -13.040 14.378 3.308 1.00 11.42 H new ATOM 0 HD22 LEU A 23 -13.790 12.813 3.699 1.00 11.42 H new ATOM 0 HD23 LEU A 23 -12.022 12.997 3.781 1.00 11.42 H new ATOM 368 N MET A 24 -10.304 8.904 1.089 1.00 24.50 N ATOM 369 CA MET A 24 -9.970 7.551 0.607 1.00 11.21 C ATOM 370 C MET A 24 -8.460 7.318 0.780 1.00 21.33 C ATOM 371 O MET A 24 -7.850 7.927 1.672 1.00 15.42 O ATOM 372 CB MET A 24 -10.436 7.436 -0.865 1.00 42.51 C ATOM 373 CG MET A 24 -11.960 7.310 -1.031 1.00 61.41 C ATOM 374 SD MET A 24 -12.547 8.055 -2.555 1.00 73.21 S ATOM 375 CE MET A 24 -12.241 9.793 -2.253 1.00 40.22 C ATOM 0 H MET A 24 -9.719 9.626 0.668 1.00 24.50 H new ATOM 0 HA MET A 24 -10.479 6.776 1.180 1.00 11.21 H new ATOM 0 HB2 MET A 24 -10.092 8.313 -1.414 1.00 42.51 H new ATOM 0 HB3 MET A 24 -9.958 6.568 -1.320 1.00 42.51 H new ATOM 0 HG2 MET A 24 -12.239 6.256 -1.014 1.00 61.41 H new ATOM 0 HG3 MET A 24 -12.455 7.784 -0.184 1.00 61.41 H new ATOM 0 HE1 MET A 24 -11.952 10.279 -3.185 1.00 40.22 H new ATOM 0 HE2 MET A 24 -13.147 10.260 -1.866 1.00 40.22 H new ATOM 0 HE3 MET A 24 -11.438 9.900 -1.524 1.00 40.22 H new ATOM 385 N GLY A 25 -7.858 6.429 -0.041 1.00 53.00 N ATOM 386 CA GLY A 25 -6.420 6.115 0.036 1.00 65.40 C ATOM 387 C GLY A 25 -6.126 5.103 1.124 1.00 21.20 C ATOM 388 O GLY A 25 -5.599 4.014 0.855 1.00 52.32 O ATOM 0 H GLY A 25 -8.354 5.914 -0.769 1.00 53.00 H new ATOM 0 HA2 GLY A 25 -6.080 5.726 -0.924 1.00 65.40 H new ATOM 0 HA3 GLY A 25 -5.857 7.029 0.227 1.00 65.40 H new ATOM 392 N ARG A 26 -6.504 5.481 2.362 1.00 53.45 N ATOM 393 CA ARG A 26 -6.550 4.594 3.530 1.00 53.05 C ATOM 394 C ARG A 26 -7.439 3.377 3.232 1.00 4.31 C ATOM 395 O ARG A 26 -7.184 2.290 3.756 1.00 11.04 O ATOM 396 CB ARG A 26 -7.037 5.406 4.783 1.00 20.30 C ATOM 397 CG ARG A 26 -7.076 4.646 6.151 1.00 71.40 C ATOM 398 CD ARG A 26 -8.384 3.854 6.390 1.00 34.11 C ATOM 399 NE ARG A 26 -8.416 3.174 7.689 1.00 14.41 N ATOM 400 CZ ARG A 26 -9.514 2.648 8.255 1.00 74.24 C ATOM 401 NH1 ARG A 26 -10.700 2.721 7.655 1.00 50.43 N ATOM 402 NH2 ARG A 26 -9.423 2.056 9.428 1.00 23.41 N ATOM 0 H ARG A 26 -6.792 6.436 2.577 1.00 53.45 H new ATOM 0 HA ARG A 26 -5.554 4.211 3.753 1.00 53.05 H new ATOM 0 HB2 ARG A 26 -6.389 6.275 4.897 1.00 20.30 H new ATOM 0 HB3 ARG A 26 -8.039 5.781 4.575 1.00 20.30 H new ATOM 0 HG2 ARG A 26 -6.232 3.958 6.197 1.00 71.40 H new ATOM 0 HG3 ARG A 26 -6.945 5.366 6.959 1.00 71.40 H new ATOM 0 HD2 ARG A 26 -9.232 4.536 6.323 1.00 34.11 H new ATOM 0 HD3 ARG A 26 -8.505 3.116 5.597 1.00 34.11 H new ATOM 0 HE ARG A 26 -7.538 3.095 8.201 1.00 14.41 H new ATOM 0 HH11 ARG A 26 -10.786 3.183 6.749 1.00 50.43 H new ATOM 0 HH12 ARG A 26 -11.523 2.315 8.101 1.00 50.43 H new ATOM 0 HH21 ARG A 26 -8.522 1.999 9.902 1.00 23.41 H new ATOM 0 HH22 ARG A 26 -10.254 1.655 9.863 1.00 23.41 H new ATOM 416 N ALA A 27 -8.485 3.582 2.396 1.00 64.32 N ATOM 417 CA ALA A 27 -9.366 2.502 1.936 1.00 4.14 C ATOM 418 C ALA A 27 -8.568 1.443 1.149 1.00 72.41 C ATOM 419 O ALA A 27 -8.595 0.279 1.531 1.00 74.11 O ATOM 420 CB ALA A 27 -10.527 3.060 1.101 1.00 22.10 C ATOM 0 H ALA A 27 -8.734 4.500 2.028 1.00 64.32 H new ATOM 0 HA ALA A 27 -9.793 2.014 2.812 1.00 4.14 H new ATOM 0 HB1 ALA A 27 -11.165 2.240 0.772 1.00 22.10 H new ATOM 0 HB2 ALA A 27 -11.110 3.754 1.707 1.00 22.10 H new ATOM 0 HB3 ALA A 27 -10.131 3.583 0.231 1.00 22.10 H new ATOM 426 N LEU A 28 -7.799 1.875 0.101 1.00 70.33 N ATOM 427 CA LEU A 28 -6.943 0.955 -0.709 1.00 41.44 C ATOM 428 C LEU A 28 -5.899 0.240 0.168 1.00 3.31 C ATOM 429 O LEU A 28 -5.637 -0.952 -0.013 1.00 10.44 O ATOM 430 CB LEU A 28 -6.224 1.702 -1.881 1.00 54.31 C ATOM 431 CG LEU A 28 -7.056 1.913 -3.177 1.00 12.34 C ATOM 432 CD1 LEU A 28 -6.284 2.749 -4.213 1.00 73.21 C ATOM 433 CD2 LEU A 28 -7.531 0.581 -3.782 1.00 50.34 C ATOM 0 H LEU A 28 -7.756 2.849 -0.199 1.00 70.33 H new ATOM 0 HA LEU A 28 -7.613 0.210 -1.139 1.00 41.44 H new ATOM 0 HB2 LEU A 28 -5.903 2.678 -1.518 1.00 54.31 H new ATOM 0 HB3 LEU A 28 -5.323 1.146 -2.140 1.00 54.31 H new ATOM 0 HG LEU A 28 -7.946 2.474 -2.892 1.00 12.34 H new ATOM 0 HD11 LEU A 28 -6.896 2.877 -5.106 1.00 73.21 H new ATOM 0 HD12 LEU A 28 -6.050 3.726 -3.791 1.00 73.21 H new ATOM 0 HD13 LEU A 28 -5.359 2.237 -4.477 1.00 73.21 H new ATOM 0 HD21 LEU A 28 -8.108 0.777 -4.686 1.00 50.34 H new ATOM 0 HD22 LEU A 28 -6.666 -0.035 -4.030 1.00 50.34 H new ATOM 0 HD23 LEU A 28 -8.155 0.055 -3.060 1.00 50.34 H new ATOM 445 N TYR A 29 -5.325 1.002 1.123 1.00 25.52 N ATOM 446 CA TYR A 29 -4.325 0.500 2.080 1.00 72.23 C ATOM 447 C TYR A 29 -4.930 -0.597 2.971 1.00 30.21 C ATOM 448 O TYR A 29 -4.300 -1.630 3.213 1.00 13.14 O ATOM 449 CB TYR A 29 -3.784 1.670 2.958 1.00 51.31 C ATOM 450 CG TYR A 29 -2.694 1.240 3.957 1.00 21.34 C ATOM 451 CD1 TYR A 29 -1.448 0.823 3.492 1.00 34.40 C ATOM 452 CD2 TYR A 29 -2.919 1.219 5.339 1.00 43.43 C ATOM 453 CE1 TYR A 29 -0.467 0.406 4.356 1.00 71.44 C ATOM 454 CE2 TYR A 29 -1.931 0.796 6.207 1.00 42.02 C ATOM 455 CZ TYR A 29 -0.707 0.393 5.702 1.00 11.34 C ATOM 456 OH TYR A 29 0.272 -0.049 6.548 1.00 34.11 O ATOM 0 H TYR A 29 -5.546 1.990 1.250 1.00 25.52 H new ATOM 0 HA TYR A 29 -3.497 0.069 1.518 1.00 72.23 H new ATOM 0 HB2 TYR A 29 -3.382 2.446 2.306 1.00 51.31 H new ATOM 0 HB3 TYR A 29 -4.614 2.114 3.508 1.00 51.31 H new ATOM 0 HD1 TYR A 29 -1.251 0.828 2.430 1.00 34.40 H new ATOM 0 HD2 TYR A 29 -3.874 1.537 5.730 1.00 43.43 H new ATOM 0 HE1 TYR A 29 0.492 0.089 3.974 1.00 71.44 H new ATOM 0 HE2 TYR A 29 -2.112 0.780 7.272 1.00 42.02 H new ATOM 0 HH TYR A 29 0.880 -0.645 6.062 1.00 34.11 H new ATOM 466 N ASN A 30 -6.179 -0.352 3.422 1.00 0.32 N ATOM 467 CA ASN A 30 -6.892 -1.221 4.364 1.00 41.51 C ATOM 468 C ASN A 30 -7.240 -2.546 3.675 1.00 62.32 C ATOM 469 O ASN A 30 -7.114 -3.609 4.279 1.00 41.55 O ATOM 470 CB ASN A 30 -8.160 -0.499 4.908 1.00 24.42 C ATOM 471 CG ASN A 30 -8.663 -1.099 6.217 1.00 25.41 C ATOM 472 OD1 ASN A 30 -9.698 -1.769 6.261 1.00 23.11 O ATOM 473 ND2 ASN A 30 -7.908 -0.893 7.295 1.00 54.23 N ATOM 0 H ASN A 30 -6.720 0.464 3.136 1.00 0.32 H new ATOM 0 HA ASN A 30 -6.253 -1.442 5.219 1.00 41.51 H new ATOM 0 HB2 ASN A 30 -7.935 0.557 5.060 1.00 24.42 H new ATOM 0 HB3 ASN A 30 -8.952 -0.552 4.161 1.00 24.42 H new ATOM 0 HD21 ASN A 30 -8.180 -1.295 8.192 1.00 54.23 H new ATOM 0 HD22 ASN A 30 -7.058 -0.334 7.223 1.00 54.23 H new ATOM 480 N ILE A 31 -7.615 -2.448 2.375 1.00 4.14 N ATOM 481 CA ILE A 31 -7.856 -3.617 1.512 1.00 2.15 C ATOM 482 C ILE A 31 -6.564 -4.435 1.370 1.00 21.55 C ATOM 483 O ILE A 31 -6.607 -5.660 1.405 1.00 41.34 O ATOM 484 CB ILE A 31 -8.330 -3.226 0.062 1.00 34.41 C ATOM 485 CG1 ILE A 31 -9.552 -2.265 0.086 1.00 33.43 C ATOM 486 CG2 ILE A 31 -8.655 -4.497 -0.762 1.00 13.53 C ATOM 487 CD1 ILE A 31 -9.795 -1.531 -1.228 1.00 44.03 C ATOM 0 H ILE A 31 -7.757 -1.555 1.902 1.00 4.14 H new ATOM 0 HA ILE A 31 -8.648 -4.190 1.993 1.00 2.15 H new ATOM 0 HB ILE A 31 -7.508 -2.693 -0.416 1.00 34.41 H new ATOM 0 HG12 ILE A 31 -10.445 -2.836 0.341 1.00 33.43 H new ATOM 0 HG13 ILE A 31 -9.407 -1.531 0.878 1.00 33.43 H new ATOM 0 HG21 ILE A 31 -8.981 -4.209 -1.761 1.00 13.53 H new ATOM 0 HG22 ILE A 31 -7.764 -5.120 -0.836 1.00 13.53 H new ATOM 0 HG23 ILE A 31 -9.449 -5.057 -0.269 1.00 13.53 H new ATOM 0 HD11 ILE A 31 -10.665 -0.882 -1.127 1.00 44.03 H new ATOM 0 HD12 ILE A 31 -8.920 -0.930 -1.476 1.00 44.03 H new ATOM 0 HD13 ILE A 31 -9.974 -2.256 -2.022 1.00 44.03 H new ATOM 499 N GLY A 32 -5.425 -3.725 1.195 1.00 22.13 N ATOM 500 CA GLY A 32 -4.114 -4.353 1.044 1.00 45.54 C ATOM 501 C GLY A 32 -3.734 -5.211 2.243 1.00 3.52 C ATOM 502 O GLY A 32 -3.121 -6.272 2.084 1.00 42.31 O ATOM 0 H GLY A 32 -5.401 -2.706 1.156 1.00 22.13 H new ATOM 0 HA2 GLY A 32 -4.112 -4.970 0.145 1.00 45.54 H new ATOM 0 HA3 GLY A 32 -3.359 -3.580 0.901 1.00 45.54 H new ATOM 506 N LEU A 33 -4.100 -4.726 3.448 1.00 13.32 N ATOM 507 CA LEU A 33 -3.905 -5.454 4.719 1.00 14.24 C ATOM 508 C LEU A 33 -4.733 -6.755 4.720 1.00 32.25 C ATOM 509 O LEU A 33 -4.296 -7.784 5.243 1.00 71.24 O ATOM 510 CB LEU A 33 -4.314 -4.554 5.925 1.00 51.22 C ATOM 511 CG LEU A 33 -3.557 -3.191 6.049 1.00 13.13 C ATOM 512 CD1 LEU A 33 -4.191 -2.292 7.128 1.00 41.03 C ATOM 513 CD2 LEU A 33 -2.047 -3.398 6.313 1.00 52.51 C ATOM 0 H LEU A 33 -4.541 -3.814 3.567 1.00 13.32 H new ATOM 0 HA LEU A 33 -2.850 -5.710 4.817 1.00 14.24 H new ATOM 0 HB2 LEU A 33 -5.382 -4.349 5.854 1.00 51.22 H new ATOM 0 HB3 LEU A 33 -4.158 -5.119 6.844 1.00 51.22 H new ATOM 0 HG LEU A 33 -3.655 -2.680 5.091 1.00 13.13 H new ATOM 0 HD11 LEU A 33 -3.641 -1.353 7.188 1.00 41.03 H new ATOM 0 HD12 LEU A 33 -5.230 -2.088 6.867 1.00 41.03 H new ATOM 0 HD13 LEU A 33 -4.152 -2.798 8.093 1.00 41.03 H new ATOM 0 HD21 LEU A 33 -1.555 -2.428 6.393 1.00 52.51 H new ATOM 0 HD22 LEU A 33 -1.913 -3.951 7.243 1.00 52.51 H new ATOM 0 HD23 LEU A 33 -1.607 -3.961 5.489 1.00 52.51 H new ATOM 525 N GLU A 34 -5.924 -6.671 4.116 1.00 21.34 N ATOM 526 CA GLU A 34 -6.884 -7.781 4.016 1.00 61.34 C ATOM 527 C GLU A 34 -6.484 -8.791 2.931 1.00 64.40 C ATOM 528 O GLU A 34 -6.787 -9.986 3.040 1.00 34.10 O ATOM 529 CB GLU A 34 -8.283 -7.214 3.722 1.00 2.04 C ATOM 530 CG GLU A 34 -8.808 -6.236 4.773 1.00 62.25 C ATOM 531 CD GLU A 34 -8.742 -6.814 6.186 1.00 31.50 C ATOM 532 OE1 GLU A 34 -9.490 -7.774 6.481 1.00 12.43 O ATOM 533 OE2 GLU A 34 -7.898 -6.361 7.001 1.00 55.43 O ATOM 0 H GLU A 34 -6.256 -5.814 3.674 1.00 21.34 H new ATOM 0 HA GLU A 34 -6.888 -8.314 4.967 1.00 61.34 H new ATOM 0 HB2 GLU A 34 -8.261 -6.711 2.756 1.00 2.04 H new ATOM 0 HB3 GLU A 34 -8.985 -8.043 3.633 1.00 2.04 H new ATOM 0 HG2 GLU A 34 -8.226 -5.315 4.732 1.00 62.25 H new ATOM 0 HG3 GLU A 34 -9.839 -5.973 4.538 1.00 62.25 H new ATOM 540 N LYS A 35 -5.812 -8.300 1.874 1.00 14.45 N ATOM 541 CA LYS A 35 -5.255 -9.151 0.820 1.00 52.34 C ATOM 542 C LYS A 35 -4.111 -9.964 1.426 1.00 61.11 C ATOM 543 O LYS A 35 -4.084 -11.185 1.316 1.00 33.12 O ATOM 544 CB LYS A 35 -4.757 -8.296 -0.378 1.00 25.12 C ATOM 545 CG LYS A 35 -5.851 -7.481 -1.103 1.00 51.52 C ATOM 546 CD LYS A 35 -6.923 -8.358 -1.805 1.00 12.52 C ATOM 547 CE LYS A 35 -7.968 -7.502 -2.550 1.00 24.34 C ATOM 548 NZ LYS A 35 -8.950 -8.312 -3.310 1.00 54.44 N ATOM 0 H LYS A 35 -5.643 -7.304 1.731 1.00 14.45 H new ATOM 0 HA LYS A 35 -6.024 -9.820 0.435 1.00 52.34 H new ATOM 0 HB2 LYS A 35 -3.991 -7.608 -0.020 1.00 25.12 H new ATOM 0 HB3 LYS A 35 -4.279 -8.956 -1.101 1.00 25.12 H new ATOM 0 HG2 LYS A 35 -6.344 -6.829 -0.382 1.00 51.52 H new ATOM 0 HG3 LYS A 35 -5.379 -6.836 -1.845 1.00 51.52 H new ATOM 0 HD2 LYS A 35 -6.436 -9.032 -2.510 1.00 12.52 H new ATOM 0 HD3 LYS A 35 -7.425 -8.980 -1.064 1.00 12.52 H new ATOM 0 HE2 LYS A 35 -8.499 -6.880 -1.830 1.00 24.34 H new ATOM 0 HE3 LYS A 35 -7.454 -6.828 -3.235 1.00 24.34 H new ATOM 0 HZ1 LYS A 35 -9.693 -7.691 -3.690 1.00 54.44 H new ATOM 0 HZ2 LYS A 35 -8.468 -8.795 -4.095 1.00 54.44 H new ATOM 0 HZ3 LYS A 35 -9.379 -9.019 -2.679 1.00 54.44 H new ATOM 562 N ASN A 36 -3.223 -9.251 2.144 1.00 52.52 N ATOM 563 CA ASN A 36 -2.067 -9.834 2.847 1.00 21.04 C ATOM 564 C ASN A 36 -2.546 -10.853 3.913 1.00 62.01 C ATOM 565 O ASN A 36 -1.889 -11.874 4.129 1.00 33.13 O ATOM 566 CB ASN A 36 -1.210 -8.698 3.489 1.00 32.22 C ATOM 567 CG ASN A 36 0.220 -9.110 3.897 1.00 2.40 C ATOM 568 OD1 ASN A 36 0.496 -10.264 4.229 1.00 5.33 O ATOM 569 ND2 ASN A 36 1.144 -8.157 3.879 1.00 12.34 N ATOM 0 H ASN A 36 -3.290 -8.239 2.253 1.00 52.52 H new ATOM 0 HA ASN A 36 -1.441 -10.370 2.133 1.00 21.04 H new ATOM 0 HB2 ASN A 36 -1.146 -7.869 2.784 1.00 32.22 H new ATOM 0 HB3 ASN A 36 -1.730 -8.326 4.372 1.00 32.22 H new ATOM 0 HD21 ASN A 36 2.105 -8.373 4.143 1.00 12.34 H new ATOM 0 HD22 ASN A 36 0.893 -7.208 3.601 1.00 12.34 H new ATOM 576 N LYS A 37 -3.728 -10.575 4.536 1.00 45.24 N ATOM 577 CA LYS A 37 -4.383 -11.493 5.504 1.00 3.21 C ATOM 578 C LYS A 37 -4.683 -12.852 4.836 1.00 10.51 C ATOM 579 O LYS A 37 -4.418 -13.912 5.415 1.00 53.21 O ATOM 580 CB LYS A 37 -5.711 -10.864 6.045 1.00 11.23 C ATOM 581 CG LYS A 37 -6.576 -11.815 6.928 1.00 64.11 C ATOM 582 CD LYS A 37 -7.976 -11.251 7.311 1.00 60.53 C ATOM 583 CE LYS A 37 -7.963 -10.250 8.487 1.00 23.53 C ATOM 584 NZ LYS A 37 -7.302 -8.963 8.150 1.00 44.32 N ATOM 0 H LYS A 37 -4.248 -9.711 4.379 1.00 45.24 H new ATOM 0 HA LYS A 37 -3.702 -11.650 6.340 1.00 3.21 H new ATOM 0 HB2 LYS A 37 -5.465 -9.976 6.627 1.00 11.23 H new ATOM 0 HB3 LYS A 37 -6.311 -10.533 5.197 1.00 11.23 H new ATOM 0 HG2 LYS A 37 -6.711 -12.758 6.398 1.00 64.11 H new ATOM 0 HG3 LYS A 37 -6.027 -12.039 7.842 1.00 64.11 H new ATOM 0 HD2 LYS A 37 -8.408 -10.761 6.438 1.00 60.53 H new ATOM 0 HD3 LYS A 37 -8.632 -12.083 7.566 1.00 60.53 H new ATOM 0 HE2 LYS A 37 -8.988 -10.054 8.800 1.00 23.53 H new ATOM 0 HE3 LYS A 37 -7.451 -10.703 9.336 1.00 23.53 H new ATOM 0 HZ1 LYS A 37 -7.845 -8.176 8.559 1.00 44.32 H new ATOM 0 HZ2 LYS A 37 -6.337 -8.956 8.538 1.00 44.32 H new ATOM 0 HZ3 LYS A 37 -7.260 -8.854 7.117 1.00 44.32 H new ATOM 598 N MET A 38 -5.189 -12.789 3.592 1.00 75.21 N ATOM 599 CA MET A 38 -5.570 -13.983 2.807 1.00 61.51 C ATOM 600 C MET A 38 -4.346 -14.661 2.154 1.00 20.52 C ATOM 601 O MET A 38 -4.469 -15.765 1.603 1.00 2.03 O ATOM 602 CB MET A 38 -6.594 -13.591 1.706 1.00 11.12 C ATOM 603 CG MET A 38 -7.947 -13.080 2.216 1.00 32.44 C ATOM 604 SD MET A 38 -9.115 -12.779 0.871 1.00 22.10 S ATOM 605 CE MET A 38 -8.303 -11.474 -0.052 1.00 73.44 C ATOM 0 H MET A 38 -5.347 -11.910 3.100 1.00 75.21 H new ATOM 0 HA MET A 38 -6.020 -14.696 3.498 1.00 61.51 H new ATOM 0 HB2 MET A 38 -6.148 -12.821 1.077 1.00 11.12 H new ATOM 0 HB3 MET A 38 -6.769 -14.459 1.071 1.00 11.12 H new ATOM 0 HG2 MET A 38 -8.371 -13.808 2.907 1.00 32.44 H new ATOM 0 HG3 MET A 38 -7.797 -12.158 2.777 1.00 32.44 H new ATOM 0 HE1 MET A 38 -8.893 -11.233 -0.937 1.00 73.44 H new ATOM 0 HE2 MET A 38 -8.211 -10.588 0.576 1.00 73.44 H new ATOM 0 HE3 MET A 38 -7.311 -11.807 -0.357 1.00 73.44 H new ATOM 615 N GLY A 39 -3.182 -13.995 2.204 1.00 1.32 N ATOM 616 CA GLY A 39 -1.963 -14.478 1.541 1.00 71.51 C ATOM 617 C GLY A 39 -1.824 -13.957 0.119 1.00 41.42 C ATOM 618 O GLY A 39 -0.950 -14.404 -0.630 1.00 52.21 O ATOM 0 H GLY A 39 -3.060 -13.113 2.702 1.00 1.32 H new ATOM 0 HA2 GLY A 39 -1.093 -14.173 2.122 1.00 71.51 H new ATOM 0 HA3 GLY A 39 -1.970 -15.568 1.525 1.00 71.51 H new ATOM 622 N LYS A 40 -2.705 -13.020 -0.261 1.00 61.31 N ATOM 623 CA LYS A 40 -2.664 -12.337 -1.565 1.00 0.52 C ATOM 624 C LYS A 40 -1.633 -11.208 -1.498 1.00 61.42 C ATOM 625 O LYS A 40 -1.981 -10.049 -1.266 1.00 22.25 O ATOM 626 CB LYS A 40 -4.063 -11.777 -1.951 1.00 42.24 C ATOM 627 CG LYS A 40 -5.228 -12.745 -1.707 1.00 2.21 C ATOM 628 CD LYS A 40 -5.077 -14.084 -2.458 1.00 4.52 C ATOM 629 CE LYS A 40 -6.203 -15.063 -2.114 1.00 51.22 C ATOM 630 NZ LYS A 40 -6.039 -16.357 -2.812 1.00 43.42 N ATOM 0 H LYS A 40 -3.474 -12.711 0.333 1.00 61.31 H new ATOM 0 HA LYS A 40 -2.377 -13.053 -2.335 1.00 0.52 H new ATOM 0 HB2 LYS A 40 -4.243 -10.863 -1.385 1.00 42.24 H new ATOM 0 HB3 LYS A 40 -4.051 -11.502 -3.006 1.00 42.24 H new ATOM 0 HG2 LYS A 40 -5.309 -12.943 -0.638 1.00 2.21 H new ATOM 0 HG3 LYS A 40 -6.158 -12.267 -2.014 1.00 2.21 H new ATOM 0 HD2 LYS A 40 -5.073 -13.899 -3.532 1.00 4.52 H new ATOM 0 HD3 LYS A 40 -4.116 -14.534 -2.208 1.00 4.52 H new ATOM 0 HE2 LYS A 40 -6.222 -15.231 -1.037 1.00 51.22 H new ATOM 0 HE3 LYS A 40 -7.163 -14.623 -2.385 1.00 51.22 H new ATOM 0 HZ1 LYS A 40 -6.821 -16.992 -2.553 1.00 43.42 H new ATOM 0 HZ2 LYS A 40 -6.046 -16.200 -3.840 1.00 43.42 H new ATOM 0 HZ3 LYS A 40 -5.135 -16.789 -2.534 1.00 43.42 H new ATOM 644 N ALA A 41 -0.367 -11.579 -1.645 1.00 43.25 N ATOM 645 CA ALA A 41 0.768 -10.671 -1.466 1.00 21.04 C ATOM 646 C ALA A 41 0.975 -9.762 -2.692 1.00 22.21 C ATOM 647 O ALA A 41 1.395 -8.612 -2.537 1.00 43.45 O ATOM 648 CB ALA A 41 2.016 -11.492 -1.163 1.00 14.31 C ATOM 0 H ALA A 41 -0.092 -12.529 -1.895 1.00 43.25 H new ATOM 0 HA ALA A 41 0.560 -10.008 -0.626 1.00 21.04 H new ATOM 0 HB1 ALA A 41 2.867 -10.824 -1.028 1.00 14.31 H new ATOM 0 HB2 ALA A 41 1.859 -12.069 -0.252 1.00 14.31 H new ATOM 0 HB3 ALA A 41 2.215 -12.171 -1.992 1.00 14.31 H new ATOM 654 N ARG A 42 0.690 -10.297 -3.904 1.00 2.13 N ATOM 655 CA ARG A 42 0.755 -9.532 -5.170 1.00 74.30 C ATOM 656 C ARG A 42 -0.320 -8.425 -5.162 1.00 64.24 C ATOM 657 O ARG A 42 -0.018 -7.261 -5.461 1.00 34.22 O ATOM 658 CB ARG A 42 0.584 -10.480 -6.409 1.00 1.12 C ATOM 659 CG ARG A 42 0.297 -9.755 -7.754 1.00 45.12 C ATOM 660 CD ARG A 42 1.425 -8.780 -8.184 1.00 32.32 C ATOM 661 NE ARG A 42 0.962 -7.822 -9.194 1.00 43.12 N ATOM 662 CZ ARG A 42 1.215 -7.865 -10.512 1.00 44.14 C ATOM 663 NH1 ARG A 42 1.942 -8.841 -11.029 1.00 34.15 N ATOM 664 NH2 ARG A 42 0.731 -6.925 -11.299 1.00 54.12 N ATOM 0 H ARG A 42 0.409 -11.269 -4.030 1.00 2.13 H new ATOM 0 HA ARG A 42 1.737 -9.066 -5.252 1.00 74.30 H new ATOM 0 HB2 ARG A 42 1.490 -11.075 -6.520 1.00 1.12 H new ATOM 0 HB3 ARG A 42 -0.231 -11.175 -6.207 1.00 1.12 H new ATOM 0 HG2 ARG A 42 0.154 -10.500 -8.536 1.00 45.12 H new ATOM 0 HG3 ARG A 42 -0.638 -9.201 -7.667 1.00 45.12 H new ATOM 0 HD2 ARG A 42 1.790 -8.239 -7.311 1.00 32.32 H new ATOM 0 HD3 ARG A 42 2.265 -9.349 -8.581 1.00 32.32 H new ATOM 0 HE ARG A 42 0.391 -7.045 -8.862 1.00 43.12 H new ATOM 0 HH11 ARG A 42 2.317 -9.572 -10.425 1.00 34.15 H new ATOM 0 HH12 ARG A 42 2.127 -8.863 -12.032 1.00 34.15 H new ATOM 0 HH21 ARG A 42 0.168 -6.171 -10.906 1.00 54.12 H new ATOM 0 HH22 ARG A 42 0.920 -6.952 -12.301 1.00 54.12 H new ATOM 678 N GLU A 43 -1.565 -8.817 -4.809 1.00 43.44 N ATOM 679 CA GLU A 43 -2.701 -7.887 -4.679 1.00 31.35 C ATOM 680 C GLU A 43 -2.397 -6.848 -3.597 1.00 54.42 C ATOM 681 O GLU A 43 -2.522 -5.652 -3.849 1.00 71.44 O ATOM 682 CB GLU A 43 -4.017 -8.655 -4.363 1.00 10.33 C ATOM 683 CG GLU A 43 -4.531 -9.504 -5.535 1.00 34.14 C ATOM 684 CD GLU A 43 -5.757 -10.352 -5.170 1.00 71.11 C ATOM 685 OE1 GLU A 43 -6.846 -9.778 -4.940 1.00 4.25 O ATOM 686 OE2 GLU A 43 -5.636 -11.596 -5.094 1.00 43.23 O ATOM 0 H GLU A 43 -1.807 -9.787 -4.607 1.00 43.44 H new ATOM 0 HA GLU A 43 -2.844 -7.372 -5.629 1.00 31.35 H new ATOM 0 HB2 GLU A 43 -3.852 -9.302 -3.502 1.00 10.33 H new ATOM 0 HB3 GLU A 43 -4.787 -7.938 -4.080 1.00 10.33 H new ATOM 0 HG2 GLU A 43 -4.785 -8.848 -6.368 1.00 34.14 H new ATOM 0 HG3 GLU A 43 -3.732 -10.160 -5.879 1.00 34.14 H new ATOM 693 N ALA A 44 -1.901 -7.333 -2.429 1.00 1.14 N ATOM 694 CA ALA A 44 -1.544 -6.480 -1.278 1.00 5.14 C ATOM 695 C ALA A 44 -0.585 -5.368 -1.707 1.00 21.05 C ATOM 696 O ALA A 44 -0.867 -4.198 -1.464 1.00 21.44 O ATOM 697 CB ALA A 44 -0.924 -7.317 -0.140 1.00 10.04 C ATOM 0 H ALA A 44 -1.740 -8.327 -2.265 1.00 1.14 H new ATOM 0 HA ALA A 44 -2.459 -6.022 -0.903 1.00 5.14 H new ATOM 0 HB1 ALA A 44 -0.670 -6.664 0.695 1.00 10.04 H new ATOM 0 HB2 ALA A 44 -1.641 -8.068 0.191 1.00 10.04 H new ATOM 0 HB3 ALA A 44 -0.022 -7.811 -0.501 1.00 10.04 H new ATOM 703 N ALA A 45 0.491 -5.763 -2.424 1.00 24.04 N ATOM 704 CA ALA A 45 1.542 -4.850 -2.903 1.00 4.44 C ATOM 705 C ALA A 45 0.966 -3.711 -3.782 1.00 3.14 C ATOM 706 O ALA A 45 1.348 -2.550 -3.623 1.00 45.24 O ATOM 707 CB ALA A 45 2.607 -5.645 -3.684 1.00 34.03 C ATOM 0 H ALA A 45 0.652 -6.735 -2.687 1.00 24.04 H new ATOM 0 HA ALA A 45 2.001 -4.383 -2.032 1.00 4.44 H new ATOM 0 HB1 ALA A 45 3.383 -4.965 -4.036 1.00 34.03 H new ATOM 0 HB2 ALA A 45 3.052 -6.396 -3.031 1.00 34.03 H new ATOM 0 HB3 ALA A 45 2.141 -6.137 -4.538 1.00 34.03 H new ATOM 713 N GLU A 46 0.039 -4.064 -4.706 1.00 12.02 N ATOM 714 CA GLU A 46 -0.586 -3.093 -5.640 1.00 64.34 C ATOM 715 C GLU A 46 -1.573 -2.165 -4.921 1.00 62.10 C ATOM 716 O GLU A 46 -1.637 -0.974 -5.229 1.00 2.31 O ATOM 717 CB GLU A 46 -1.293 -3.817 -6.806 1.00 40.11 C ATOM 718 CG GLU A 46 -0.340 -4.614 -7.701 1.00 54.55 C ATOM 719 CD GLU A 46 -1.058 -5.233 -8.901 1.00 33.53 C ATOM 720 OE1 GLU A 46 -1.725 -6.273 -8.720 1.00 62.33 O ATOM 721 OE2 GLU A 46 -0.945 -4.703 -10.033 1.00 2.44 O ATOM 0 H GLU A 46 -0.295 -5.021 -4.825 1.00 12.02 H new ATOM 0 HA GLU A 46 0.219 -2.480 -6.045 1.00 64.34 H new ATOM 0 HB2 GLU A 46 -2.046 -4.492 -6.400 1.00 40.11 H new ATOM 0 HB3 GLU A 46 -1.819 -3.081 -7.414 1.00 40.11 H new ATOM 0 HG2 GLU A 46 0.457 -3.960 -8.054 1.00 54.55 H new ATOM 0 HG3 GLU A 46 0.132 -5.403 -7.115 1.00 54.55 H new ATOM 728 N TYR A 47 -2.332 -2.721 -3.963 1.00 11.43 N ATOM 729 CA TYR A 47 -3.283 -1.960 -3.134 1.00 12.54 C ATOM 730 C TYR A 47 -2.527 -0.991 -2.195 1.00 40.24 C ATOM 731 O TYR A 47 -3.039 0.081 -1.878 1.00 34.24 O ATOM 732 CB TYR A 47 -4.248 -2.915 -2.357 1.00 65.31 C ATOM 733 CG TYR A 47 -5.426 -3.439 -3.208 1.00 15.11 C ATOM 734 CD1 TYR A 47 -6.612 -2.722 -3.296 1.00 54.20 C ATOM 735 CD2 TYR A 47 -5.349 -4.632 -3.924 1.00 40.23 C ATOM 736 CE1 TYR A 47 -7.674 -3.173 -4.062 1.00 61.04 C ATOM 737 CE2 TYR A 47 -6.398 -5.087 -4.692 1.00 14.41 C ATOM 738 CZ TYR A 47 -7.561 -4.358 -4.757 1.00 63.11 C ATOM 739 OH TYR A 47 -8.612 -4.818 -5.521 1.00 55.52 O ATOM 0 H TYR A 47 -2.304 -3.716 -3.740 1.00 11.43 H new ATOM 0 HA TYR A 47 -3.909 -1.354 -3.789 1.00 12.54 H new ATOM 0 HB2 TYR A 47 -3.678 -3.764 -1.980 1.00 65.31 H new ATOM 0 HB3 TYR A 47 -4.645 -2.388 -1.489 1.00 65.31 H new ATOM 0 HD1 TYR A 47 -6.708 -1.792 -2.755 1.00 54.20 H new ATOM 0 HD2 TYR A 47 -4.442 -5.216 -3.875 1.00 40.23 H new ATOM 0 HE1 TYR A 47 -8.587 -2.599 -4.115 1.00 61.04 H new ATOM 0 HE2 TYR A 47 -6.307 -6.013 -5.241 1.00 14.41 H new ATOM 0 HH TYR A 47 -8.362 -5.666 -5.944 1.00 55.52 H new ATOM 749 N PHE A 48 -1.292 -1.378 -1.786 1.00 72.22 N ATOM 750 CA PHE A 48 -0.388 -0.517 -0.987 1.00 53.03 C ATOM 751 C PHE A 48 0.243 0.574 -1.859 1.00 51.11 C ATOM 752 O PHE A 48 0.473 1.688 -1.379 1.00 21.10 O ATOM 753 CB PHE A 48 0.746 -1.343 -0.309 1.00 30.45 C ATOM 754 CG PHE A 48 0.275 -2.293 0.783 1.00 52.15 C ATOM 755 CD1 PHE A 48 -0.746 -1.916 1.642 1.00 10.23 C ATOM 756 CD2 PHE A 48 0.863 -3.543 0.966 1.00 11.30 C ATOM 757 CE1 PHE A 48 -1.171 -2.744 2.641 1.00 21.11 C ATOM 758 CE2 PHE A 48 0.431 -4.382 1.970 1.00 21.14 C ATOM 759 CZ PHE A 48 -0.586 -3.982 2.808 1.00 31.14 C ATOM 0 H PHE A 48 -0.897 -2.294 -2.001 1.00 72.22 H new ATOM 0 HA PHE A 48 -0.999 -0.057 -0.211 1.00 53.03 H new ATOM 0 HB2 PHE A 48 1.264 -1.920 -1.075 1.00 30.45 H new ATOM 0 HB3 PHE A 48 1.474 -0.653 0.118 1.00 30.45 H new ATOM 0 HD1 PHE A 48 -1.213 -0.950 1.519 1.00 10.23 H new ATOM 0 HD2 PHE A 48 1.665 -3.857 0.315 1.00 11.30 H new ATOM 0 HE1 PHE A 48 -1.966 -2.429 3.301 1.00 21.11 H new ATOM 0 HE2 PHE A 48 0.889 -5.351 2.100 1.00 21.14 H new ATOM 0 HZ PHE A 48 -0.926 -4.638 3.596 1.00 31.14 H new ATOM 769 N PHE A 49 0.540 0.234 -3.127 1.00 51.03 N ATOM 770 CA PHE A 49 1.194 1.155 -4.067 1.00 60.12 C ATOM 771 C PHE A 49 0.241 2.280 -4.466 1.00 44.24 C ATOM 772 O PHE A 49 0.585 3.457 -4.368 1.00 73.24 O ATOM 773 CB PHE A 49 1.690 0.411 -5.331 1.00 25.23 C ATOM 774 CG PHE A 49 2.441 1.317 -6.309 1.00 2.54 C ATOM 775 CD1 PHE A 49 3.524 2.068 -5.857 1.00 24.21 C ATOM 776 CD2 PHE A 49 2.068 1.440 -7.650 1.00 34.13 C ATOM 777 CE1 PHE A 49 4.210 2.897 -6.703 1.00 62.14 C ATOM 778 CE2 PHE A 49 2.769 2.283 -8.500 1.00 62.32 C ATOM 779 CZ PHE A 49 3.840 3.014 -8.022 1.00 24.53 C ATOM 0 H PHE A 49 0.334 -0.682 -3.524 1.00 51.03 H new ATOM 0 HA PHE A 49 2.059 1.583 -3.561 1.00 60.12 H new ATOM 0 HB2 PHE A 49 2.343 -0.408 -5.030 1.00 25.23 H new ATOM 0 HB3 PHE A 49 0.836 -0.034 -5.841 1.00 25.23 H new ATOM 0 HD1 PHE A 49 3.827 1.995 -4.823 1.00 24.21 H new ATOM 0 HD2 PHE A 49 1.228 0.875 -8.027 1.00 34.13 H new ATOM 0 HE1 PHE A 49 5.050 3.465 -6.331 1.00 62.14 H new ATOM 0 HE2 PHE A 49 2.477 2.368 -9.536 1.00 62.32 H new ATOM 0 HZ PHE A 49 4.384 3.674 -8.681 1.00 24.53 H new ATOM 789 N ARG A 50 -0.953 1.882 -4.928 1.00 74.41 N ATOM 790 CA ARG A 50 -2.016 2.805 -5.331 1.00 63.52 C ATOM 791 C ARG A 50 -2.452 3.677 -4.145 1.00 23.40 C ATOM 792 O ARG A 50 -2.721 4.863 -4.320 1.00 63.14 O ATOM 793 CB ARG A 50 -3.208 2.016 -5.907 1.00 2.05 C ATOM 794 CG ARG A 50 -2.911 1.281 -7.234 1.00 41.22 C ATOM 795 CD ARG A 50 -4.087 0.398 -7.674 1.00 43.22 C ATOM 796 NE ARG A 50 -5.352 1.156 -7.744 1.00 52.21 N ATOM 797 CZ ARG A 50 -6.568 0.673 -7.440 1.00 44.00 C ATOM 798 NH1 ARG A 50 -6.730 -0.585 -7.033 1.00 20.32 N ATOM 799 NH2 ARG A 50 -7.620 1.465 -7.543 1.00 73.14 N ATOM 0 H ARG A 50 -1.207 0.900 -5.032 1.00 74.41 H new ATOM 0 HA ARG A 50 -1.634 3.467 -6.108 1.00 63.52 H new ATOM 0 HB2 ARG A 50 -3.535 1.285 -5.167 1.00 2.05 H new ATOM 0 HB3 ARG A 50 -4.039 2.703 -6.065 1.00 2.05 H new ATOM 0 HG2 ARG A 50 -2.694 2.012 -8.013 1.00 41.22 H new ATOM 0 HG3 ARG A 50 -2.019 0.666 -7.117 1.00 41.22 H new ATOM 0 HD2 ARG A 50 -3.870 -0.035 -8.650 1.00 43.22 H new ATOM 0 HD3 ARG A 50 -4.199 -0.431 -6.975 1.00 43.22 H new ATOM 0 HE ARG A 50 -5.298 2.128 -8.049 1.00 52.21 H new ATOM 0 HH11 ARG A 50 -5.922 -1.201 -6.947 1.00 20.32 H new ATOM 0 HH12 ARG A 50 -7.662 -0.932 -6.807 1.00 20.32 H new ATOM 0 HH21 ARG A 50 -7.503 2.431 -7.850 1.00 73.14 H new ATOM 0 HH22 ARG A 50 -8.549 1.111 -7.315 1.00 73.14 H new ATOM 813 N ALA A 51 -2.480 3.069 -2.934 1.00 51.52 N ATOM 814 CA ALA A 51 -2.729 3.793 -1.681 1.00 5.34 C ATOM 815 C ALA A 51 -1.657 4.867 -1.465 1.00 21.44 C ATOM 816 O ALA A 51 -1.988 6.012 -1.180 1.00 64.01 O ATOM 817 CB ALA A 51 -2.758 2.832 -0.485 1.00 32.42 C ATOM 0 H ALA A 51 -2.330 2.068 -2.807 1.00 51.52 H new ATOM 0 HA ALA A 51 -3.704 4.273 -1.758 1.00 5.34 H new ATOM 0 HB1 ALA A 51 -2.944 3.395 0.430 1.00 32.42 H new ATOM 0 HB2 ALA A 51 -3.551 2.098 -0.627 1.00 32.42 H new ATOM 0 HB3 ALA A 51 -1.799 2.319 -0.407 1.00 32.42 H new ATOM 823 N ALA A 52 -0.375 4.474 -1.650 1.00 23.41 N ATOM 824 CA ALA A 52 0.789 5.358 -1.454 1.00 33.20 C ATOM 825 C ALA A 52 0.787 6.530 -2.455 1.00 2.24 C ATOM 826 O ALA A 52 1.261 7.618 -2.128 1.00 22.11 O ATOM 827 CB ALA A 52 2.101 4.553 -1.556 1.00 22.44 C ATOM 0 H ALA A 52 -0.122 3.530 -1.941 1.00 23.41 H new ATOM 0 HA ALA A 52 0.718 5.784 -0.453 1.00 33.20 H new ATOM 0 HB1 ALA A 52 2.950 5.221 -1.409 1.00 22.44 H new ATOM 0 HB2 ALA A 52 2.112 3.777 -0.790 1.00 22.44 H new ATOM 0 HB3 ALA A 52 2.169 4.091 -2.541 1.00 22.44 H new ATOM 833 N ILE A 53 0.246 6.284 -3.676 1.00 4.32 N ATOM 834 CA ILE A 53 0.053 7.326 -4.706 1.00 2.41 C ATOM 835 C ILE A 53 -0.930 8.398 -4.190 1.00 40.41 C ATOM 836 O ILE A 53 -0.653 9.594 -4.274 1.00 32.14 O ATOM 837 CB ILE A 53 -0.483 6.715 -6.070 1.00 53.44 C ATOM 838 CG1 ILE A 53 0.565 5.738 -6.696 1.00 2.55 C ATOM 839 CG2 ILE A 53 -0.877 7.823 -7.086 1.00 53.32 C ATOM 840 CD1 ILE A 53 0.083 4.973 -7.924 1.00 4.14 C ATOM 0 H ILE A 53 -0.067 5.358 -3.969 1.00 4.32 H new ATOM 0 HA ILE A 53 1.024 7.781 -4.904 1.00 2.41 H new ATOM 0 HB ILE A 53 -1.385 6.149 -5.837 1.00 53.44 H new ATOM 0 HG12 ILE A 53 1.453 6.308 -6.968 1.00 2.55 H new ATOM 0 HG13 ILE A 53 0.868 5.019 -5.935 1.00 2.55 H new ATOM 0 HG21 ILE A 53 -1.238 7.362 -8.005 1.00 53.32 H new ATOM 0 HG22 ILE A 53 -1.663 8.445 -6.659 1.00 53.32 H new ATOM 0 HG23 ILE A 53 -0.006 8.440 -7.308 1.00 53.32 H new ATOM 0 HD11 ILE A 53 0.880 4.323 -8.284 1.00 4.14 H new ATOM 0 HD12 ILE A 53 -0.785 4.370 -7.659 1.00 4.14 H new ATOM 0 HD13 ILE A 53 -0.191 5.679 -8.708 1.00 4.14 H new ATOM 852 N VAL A 54 -2.060 7.933 -3.622 1.00 61.33 N ATOM 853 CA VAL A 54 -3.138 8.806 -3.120 1.00 33.41 C ATOM 854 C VAL A 54 -2.673 9.587 -1.868 1.00 33.23 C ATOM 855 O VAL A 54 -2.943 10.785 -1.750 1.00 11.11 O ATOM 856 CB VAL A 54 -4.437 7.976 -2.806 1.00 62.14 C ATOM 857 CG1 VAL A 54 -5.600 8.889 -2.348 1.00 62.11 C ATOM 858 CG2 VAL A 54 -4.848 7.136 -4.037 1.00 45.15 C ATOM 0 H VAL A 54 -2.251 6.939 -3.498 1.00 61.33 H new ATOM 0 HA VAL A 54 -3.379 9.525 -3.903 1.00 33.41 H new ATOM 0 HB VAL A 54 -4.211 7.300 -1.981 1.00 62.14 H new ATOM 0 HG11 VAL A 54 -6.480 8.280 -2.140 1.00 62.11 H new ATOM 0 HG12 VAL A 54 -5.308 9.425 -1.445 1.00 62.11 H new ATOM 0 HG13 VAL A 54 -5.832 9.605 -3.136 1.00 62.11 H new ATOM 0 HG21 VAL A 54 -5.748 6.567 -3.805 1.00 45.15 H new ATOM 0 HG22 VAL A 54 -5.044 7.798 -4.880 1.00 45.15 H new ATOM 0 HG23 VAL A 54 -4.041 6.450 -4.295 1.00 45.15 H new ATOM 868 N PHE A 55 -1.938 8.890 -0.967 1.00 71.43 N ATOM 869 CA PHE A 55 -1.347 9.490 0.249 1.00 51.01 C ATOM 870 C PHE A 55 -0.336 10.580 -0.131 1.00 65.10 C ATOM 871 O PHE A 55 -0.260 11.610 0.523 1.00 2.44 O ATOM 872 CB PHE A 55 -0.645 8.424 1.145 1.00 21.24 C ATOM 873 CG PHE A 55 -1.585 7.489 1.906 1.00 45.25 C ATOM 874 CD1 PHE A 55 -2.595 8.003 2.722 1.00 70.33 C ATOM 875 CD2 PHE A 55 -1.428 6.101 1.849 1.00 50.22 C ATOM 876 CE1 PHE A 55 -3.418 7.158 3.446 1.00 22.51 C ATOM 877 CE2 PHE A 55 -2.254 5.263 2.564 1.00 30.30 C ATOM 878 CZ PHE A 55 -3.242 5.790 3.367 1.00 72.42 C ATOM 0 H PHE A 55 -1.740 7.894 -1.066 1.00 71.43 H new ATOM 0 HA PHE A 55 -2.166 9.927 0.820 1.00 51.01 H new ATOM 0 HB2 PHE A 55 0.011 7.821 0.517 1.00 21.24 H new ATOM 0 HB3 PHE A 55 -0.011 8.940 1.866 1.00 21.24 H new ATOM 0 HD1 PHE A 55 -2.735 9.072 2.789 1.00 70.33 H new ATOM 0 HD2 PHE A 55 -0.646 5.679 1.234 1.00 50.22 H new ATOM 0 HE1 PHE A 55 -4.197 7.568 4.072 1.00 22.51 H new ATOM 0 HE2 PHE A 55 -2.128 4.193 2.495 1.00 30.30 H new ATOM 0 HZ PHE A 55 -3.881 5.131 3.937 1.00 72.42 H new ATOM 888 N TYR A 56 0.426 10.332 -1.209 1.00 64.11 N ATOM 889 CA TYR A 56 1.434 11.274 -1.711 1.00 0.22 C ATOM 890 C TYR A 56 0.771 12.530 -2.324 1.00 12.42 C ATOM 891 O TYR A 56 1.226 13.654 -2.085 1.00 0.24 O ATOM 892 CB TYR A 56 2.343 10.571 -2.745 1.00 15.14 C ATOM 893 CG TYR A 56 3.375 11.503 -3.385 1.00 42.13 C ATOM 894 CD1 TYR A 56 4.338 12.140 -2.597 1.00 5.31 C ATOM 895 CD2 TYR A 56 3.369 11.769 -4.753 1.00 30.02 C ATOM 896 CE1 TYR A 56 5.259 12.994 -3.150 1.00 62.42 C ATOM 897 CE2 TYR A 56 4.281 12.629 -5.308 1.00 73.33 C ATOM 898 CZ TYR A 56 5.228 13.238 -4.508 1.00 43.02 C ATOM 899 OH TYR A 56 6.134 14.111 -5.068 1.00 22.20 O ATOM 0 H TYR A 56 0.359 9.473 -1.755 1.00 64.11 H new ATOM 0 HA TYR A 56 2.046 11.604 -0.872 1.00 0.22 H new ATOM 0 HB2 TYR A 56 2.863 9.746 -2.258 1.00 15.14 H new ATOM 0 HB3 TYR A 56 1.721 10.138 -3.528 1.00 15.14 H new ATOM 0 HD1 TYR A 56 4.358 11.957 -1.533 1.00 5.31 H new ATOM 0 HD2 TYR A 56 2.635 11.291 -5.385 1.00 30.02 H new ATOM 0 HE1 TYR A 56 6.002 13.471 -2.528 1.00 62.42 H new ATOM 0 HE2 TYR A 56 4.259 12.830 -6.369 1.00 73.33 H new ATOM 0 HH TYR A 56 5.978 14.170 -6.034 1.00 22.20 H new ATOM 909 N LYS A 57 -0.278 12.305 -3.138 1.00 71.05 N ATOM 910 CA LYS A 57 -1.125 13.378 -3.722 1.00 23.12 C ATOM 911 C LYS A 57 -1.697 14.310 -2.639 1.00 65.03 C ATOM 912 O LYS A 57 -1.665 15.540 -2.782 1.00 23.40 O ATOM 913 CB LYS A 57 -2.288 12.742 -4.575 1.00 63.30 C ATOM 914 CG LYS A 57 -2.014 12.676 -6.096 1.00 31.32 C ATOM 915 CD LYS A 57 -0.674 11.985 -6.462 1.00 42.11 C ATOM 916 CE LYS A 57 -0.417 11.956 -7.978 1.00 75.54 C ATOM 917 NZ LYS A 57 0.965 11.512 -8.283 1.00 61.42 N ATOM 0 H LYS A 57 -0.569 11.367 -3.415 1.00 71.05 H new ATOM 0 HA LYS A 57 -0.494 13.985 -4.371 1.00 23.12 H new ATOM 0 HB2 LYS A 57 -2.478 11.733 -4.210 1.00 63.30 H new ATOM 0 HB3 LYS A 57 -3.199 13.317 -4.408 1.00 63.30 H new ATOM 0 HG2 LYS A 57 -2.832 12.142 -6.580 1.00 31.32 H new ATOM 0 HG3 LYS A 57 -2.012 13.689 -6.500 1.00 31.32 H new ATOM 0 HD2 LYS A 57 0.146 12.507 -5.968 1.00 42.11 H new ATOM 0 HD3 LYS A 57 -0.679 10.965 -6.079 1.00 42.11 H new ATOM 0 HE2 LYS A 57 -1.130 11.285 -8.457 1.00 75.54 H new ATOM 0 HE3 LYS A 57 -0.583 12.949 -8.396 1.00 75.54 H new ATOM 0 HZ1 LYS A 57 1.107 11.503 -9.313 1.00 61.42 H new ATOM 0 HZ2 LYS A 57 1.644 12.167 -7.845 1.00 61.42 H new ATOM 0 HZ3 LYS A 57 1.114 10.555 -7.905 1.00 61.42 H new ATOM 931 N GLU A 58 -2.192 13.712 -1.556 1.00 1.21 N ATOM 932 CA GLU A 58 -2.767 14.458 -0.420 1.00 64.12 C ATOM 933 C GLU A 58 -1.668 14.924 0.552 1.00 13.11 C ATOM 934 O GLU A 58 -1.935 15.723 1.460 1.00 50.13 O ATOM 935 CB GLU A 58 -3.804 13.578 0.326 1.00 74.33 C ATOM 936 CG GLU A 58 -4.929 13.021 -0.563 1.00 2.52 C ATOM 937 CD GLU A 58 -5.760 14.105 -1.281 1.00 74.22 C ATOM 938 OE1 GLU A 58 -6.734 14.632 -0.693 1.00 12.15 O ATOM 939 OE2 GLU A 58 -5.454 14.429 -2.449 1.00 63.14 O ATOM 0 H GLU A 58 -2.209 12.699 -1.434 1.00 1.21 H new ATOM 0 HA GLU A 58 -3.267 15.343 -0.814 1.00 64.12 H new ATOM 0 HB2 GLU A 58 -3.282 12.744 0.795 1.00 74.33 H new ATOM 0 HB3 GLU A 58 -4.250 14.166 1.128 1.00 74.33 H new ATOM 0 HG2 GLU A 58 -4.492 12.359 -1.311 1.00 2.52 H new ATOM 0 HG3 GLU A 58 -5.595 12.414 0.050 1.00 2.52 H new ATOM 946 N HIS A 59 -0.436 14.401 0.343 1.00 71.22 N ATOM 947 CA HIS A 59 0.747 14.672 1.177 1.00 13.34 C ATOM 948 C HIS A 59 0.530 14.223 2.640 1.00 2.33 C ATOM 949 O HIS A 59 1.115 14.787 3.572 1.00 62.14 O ATOM 950 CB HIS A 59 1.199 16.159 1.050 1.00 30.22 C ATOM 951 CG HIS A 59 1.874 16.466 -0.264 1.00 32.14 C ATOM 952 ND1 HIS A 59 3.239 16.498 -0.403 1.00 54.15 N ATOM 953 CD2 HIS A 59 1.373 16.745 -1.486 1.00 53.34 C ATOM 954 CE1 HIS A 59 3.550 16.794 -1.643 1.00 2.34 C ATOM 955 NE2 HIS A 59 2.433 16.947 -2.320 1.00 33.41 N ATOM 0 H HIS A 59 -0.239 13.765 -0.430 1.00 71.22 H new ATOM 0 HA HIS A 59 1.572 14.068 0.800 1.00 13.34 H new ATOM 0 HB2 HIS A 59 0.330 16.807 1.165 1.00 30.22 H new ATOM 0 HB3 HIS A 59 1.882 16.395 1.866 1.00 30.22 H new ATOM 0 HD1 HIS A 59 3.910 16.319 0.344 1.00 54.15 H new ATOM 0 HD2 HIS A 59 0.328 16.798 -1.753 1.00 53.34 H new ATOM 0 HE1 HIS A 59 4.550 16.895 -2.039 1.00 2.34 H new ATOM 964 N ASP A 60 -0.293 13.166 2.798 1.00 63.53 N ATOM 965 CA ASP A 60 -0.495 12.461 4.068 1.00 22.54 C ATOM 966 C ASP A 60 0.685 11.498 4.249 1.00 20.31 C ATOM 967 O ASP A 60 0.672 10.354 3.760 1.00 50.11 O ATOM 968 CB ASP A 60 -1.853 11.700 4.064 1.00 55.21 C ATOM 969 CG ASP A 60 -2.171 11.038 5.422 1.00 54.51 C ATOM 970 OD1 ASP A 60 -2.743 11.725 6.297 1.00 62.30 O ATOM 971 OD2 ASP A 60 -1.825 9.849 5.637 1.00 60.14 O ATOM 0 H ASP A 60 -0.842 12.777 2.031 1.00 63.53 H new ATOM 0 HA ASP A 60 -0.533 13.165 4.899 1.00 22.54 H new ATOM 0 HB2 ASP A 60 -2.653 12.395 3.807 1.00 55.21 H new ATOM 0 HB3 ASP A 60 -1.834 10.935 3.288 1.00 55.21 H new ATOM 976 N THR A 61 1.727 12.013 4.907 1.00 61.43 N ATOM 977 CA THR A 61 3.018 11.339 5.043 1.00 43.12 C ATOM 978 C THR A 61 2.924 10.105 5.959 1.00 10.15 C ATOM 979 O THR A 61 3.716 9.177 5.818 1.00 13.01 O ATOM 980 CB THR A 61 4.099 12.326 5.592 1.00 0.31 C ATOM 981 OG1 THR A 61 4.065 13.547 4.833 1.00 11.30 O ATOM 982 CG2 THR A 61 5.524 11.731 5.535 1.00 1.43 C ATOM 0 H THR A 61 1.696 12.923 5.366 1.00 61.43 H new ATOM 0 HA THR A 61 3.312 11.000 4.049 1.00 43.12 H new ATOM 0 HB THR A 61 3.862 12.517 6.639 1.00 0.31 H new ATOM 0 HG1 THR A 61 4.157 13.342 3.879 1.00 11.30 H new ATOM 0 HG21 THR A 61 6.237 12.456 5.928 1.00 1.43 H new ATOM 0 HG22 THR A 61 5.563 10.822 6.135 1.00 1.43 H new ATOM 0 HG23 THR A 61 5.779 11.495 4.502 1.00 1.43 H new ATOM 990 N ASP A 62 1.947 10.110 6.890 1.00 41.32 N ATOM 991 CA ASP A 62 1.757 9.023 7.872 1.00 61.13 C ATOM 992 C ASP A 62 1.404 7.700 7.161 1.00 70.13 C ATOM 993 O ASP A 62 2.040 6.658 7.398 1.00 52.51 O ATOM 994 CB ASP A 62 0.647 9.400 8.893 1.00 70.12 C ATOM 995 CG ASP A 62 0.496 8.382 10.045 1.00 30.25 C ATOM 996 OD1 ASP A 62 -0.183 7.354 9.871 1.00 23.20 O ATOM 997 OD2 ASP A 62 1.069 8.608 11.133 1.00 70.32 O ATOM 0 H ASP A 62 1.269 10.867 6.982 1.00 41.32 H new ATOM 0 HA ASP A 62 2.694 8.884 8.411 1.00 61.13 H new ATOM 0 HB2 ASP A 62 0.869 10.381 9.313 1.00 70.12 H new ATOM 0 HB3 ASP A 62 -0.304 9.486 8.368 1.00 70.12 H new ATOM 1002 N GLY A 63 0.375 7.775 6.294 1.00 12.42 N ATOM 1003 CA GLY A 63 -0.078 6.627 5.516 1.00 64.42 C ATOM 1004 C GLY A 63 0.949 6.193 4.482 1.00 20.01 C ATOM 1005 O GLY A 63 1.165 5.000 4.291 1.00 42.34 O ATOM 0 H GLY A 63 -0.155 8.629 6.121 1.00 12.42 H new ATOM 0 HA2 GLY A 63 -0.289 5.795 6.188 1.00 64.42 H new ATOM 0 HA3 GLY A 63 -1.013 6.876 5.015 1.00 64.42 H new ATOM 1009 N LEU A 64 1.581 7.193 3.832 1.00 61.51 N ATOM 1010 CA LEU A 64 2.656 6.999 2.831 1.00 11.13 C ATOM 1011 C LEU A 64 3.871 6.265 3.453 1.00 52.41 C ATOM 1012 O LEU A 64 4.498 5.422 2.805 1.00 4.31 O ATOM 1013 CB LEU A 64 3.075 8.398 2.288 1.00 2.22 C ATOM 1014 CG LEU A 64 4.222 8.454 1.221 1.00 41.21 C ATOM 1015 CD1 LEU A 64 3.832 7.754 -0.092 1.00 51.15 C ATOM 1016 CD2 LEU A 64 4.649 9.908 0.957 1.00 14.23 C ATOM 0 H LEU A 64 1.356 8.175 3.990 1.00 61.51 H new ATOM 0 HA LEU A 64 2.289 6.377 2.015 1.00 11.13 H new ATOM 0 HB2 LEU A 64 2.192 8.868 1.855 1.00 2.22 H new ATOM 0 HB3 LEU A 64 3.378 9.010 3.138 1.00 2.22 H new ATOM 0 HG LEU A 64 5.071 7.909 1.634 1.00 41.21 H new ATOM 0 HD11 LEU A 64 4.659 7.820 -0.799 1.00 51.15 H new ATOM 0 HD12 LEU A 64 3.607 6.706 0.107 1.00 51.15 H new ATOM 0 HD13 LEU A 64 2.953 8.239 -0.516 1.00 51.15 H new ATOM 0 HD21 LEU A 64 5.446 9.924 0.214 1.00 14.23 H new ATOM 0 HD22 LEU A 64 3.796 10.476 0.587 1.00 14.23 H new ATOM 0 HD23 LEU A 64 5.008 10.356 1.884 1.00 14.23 H new ATOM 1028 N ARG A 65 4.155 6.592 4.729 1.00 23.55 N ATOM 1029 CA ARG A 65 5.274 6.028 5.511 1.00 41.50 C ATOM 1030 C ARG A 65 5.068 4.530 5.753 1.00 63.42 C ATOM 1031 O ARG A 65 5.955 3.710 5.485 1.00 24.22 O ATOM 1032 CB ARG A 65 5.375 6.765 6.874 1.00 23.11 C ATOM 1033 CG ARG A 65 6.527 6.310 7.813 1.00 4.23 C ATOM 1034 CD ARG A 65 6.236 6.651 9.288 1.00 60.51 C ATOM 1035 NE ARG A 65 5.024 5.944 9.756 1.00 2.22 N ATOM 1036 CZ ARG A 65 3.912 6.524 10.247 1.00 72.31 C ATOM 1037 NH1 ARG A 65 3.818 7.846 10.359 1.00 3.14 N ATOM 1038 NH2 ARG A 65 2.890 5.773 10.615 1.00 4.45 N ATOM 0 H ARG A 65 3.603 7.269 5.256 1.00 23.55 H new ATOM 0 HA ARG A 65 6.196 6.164 4.946 1.00 41.50 H new ATOM 0 HB2 ARG A 65 5.491 7.831 6.680 1.00 23.11 H new ATOM 0 HB3 ARG A 65 4.431 6.639 7.403 1.00 23.11 H new ATOM 0 HG2 ARG A 65 6.675 5.235 7.711 1.00 4.23 H new ATOM 0 HG3 ARG A 65 7.456 6.790 7.506 1.00 4.23 H new ATOM 0 HD2 ARG A 65 7.089 6.371 9.907 1.00 60.51 H new ATOM 0 HD3 ARG A 65 6.102 7.727 9.399 1.00 60.51 H new ATOM 0 HE ARG A 65 5.031 4.925 9.702 1.00 2.22 H new ATOM 0 HH11 ARG A 65 4.596 8.439 10.071 1.00 3.14 H new ATOM 0 HH12 ARG A 65 2.968 8.267 10.733 1.00 3.14 H new ATOM 0 HH21 ARG A 65 2.945 4.758 10.527 1.00 4.45 H new ATOM 0 HH22 ARG A 65 2.046 6.208 10.987 1.00 4.45 H new ATOM 1052 N ARG A 66 3.868 4.202 6.261 1.00 25.15 N ATOM 1053 CA ARG A 66 3.514 2.838 6.652 1.00 25.44 C ATOM 1054 C ARG A 66 3.278 1.972 5.397 1.00 54.22 C ATOM 1055 O ARG A 66 3.544 0.770 5.412 1.00 21.32 O ATOM 1056 CB ARG A 66 2.275 2.832 7.598 1.00 52.25 C ATOM 1057 CG ARG A 66 2.217 1.593 8.520 1.00 31.45 C ATOM 1058 CD ARG A 66 0.941 1.526 9.379 1.00 21.43 C ATOM 1059 NE ARG A 66 1.033 0.481 10.409 1.00 71.32 N ATOM 1060 CZ ARG A 66 0.734 -0.820 10.243 1.00 4.31 C ATOM 1061 NH1 ARG A 66 0.316 -1.295 9.075 1.00 15.05 N ATOM 1062 NH2 ARG A 66 0.858 -1.638 11.265 1.00 10.25 N ATOM 0 H ARG A 66 3.120 4.879 6.410 1.00 25.15 H new ATOM 0 HA ARG A 66 4.345 2.405 7.210 1.00 25.44 H new ATOM 0 HB2 ARG A 66 2.291 3.733 8.212 1.00 52.25 H new ATOM 0 HB3 ARG A 66 1.367 2.872 6.996 1.00 52.25 H new ATOM 0 HG2 ARG A 66 2.282 0.692 7.910 1.00 31.45 H new ATOM 0 HG3 ARG A 66 3.087 1.597 9.176 1.00 31.45 H new ATOM 0 HD2 ARG A 66 0.772 2.492 9.855 1.00 21.43 H new ATOM 0 HD3 ARG A 66 0.081 1.331 8.738 1.00 21.43 H new ATOM 0 HE ARG A 66 1.353 0.769 11.334 1.00 71.32 H new ATOM 0 HH11 ARG A 66 0.215 -0.669 8.276 1.00 15.05 H new ATOM 0 HH12 ARG A 66 0.096 -2.286 8.977 1.00 15.05 H new ATOM 0 HH21 ARG A 66 1.177 -1.283 12.167 1.00 10.25 H new ATOM 0 HH22 ARG A 66 0.635 -2.627 11.156 1.00 10.25 H new ATOM 1076 N ALA A 67 2.803 2.618 4.307 1.00 30.51 N ATOM 1077 CA ALA A 67 2.561 1.958 3.013 1.00 10.14 C ATOM 1078 C ALA A 67 3.878 1.569 2.338 1.00 70.25 C ATOM 1079 O ALA A 67 3.940 0.530 1.690 1.00 20.13 O ATOM 1080 CB ALA A 67 1.724 2.854 2.082 1.00 13.51 C ATOM 0 H ALA A 67 2.578 3.613 4.305 1.00 30.51 H new ATOM 0 HA ALA A 67 1.996 1.047 3.209 1.00 10.14 H new ATOM 0 HB1 ALA A 67 1.561 2.342 1.134 1.00 13.51 H new ATOM 0 HB2 ALA A 67 0.763 3.067 2.550 1.00 13.51 H new ATOM 0 HB3 ALA A 67 2.255 3.789 1.902 1.00 13.51 H new ATOM 1086 N ALA A 68 4.922 2.411 2.513 1.00 72.42 N ATOM 1087 CA ALA A 68 6.269 2.163 1.957 1.00 14.34 C ATOM 1088 C ALA A 68 6.875 0.864 2.513 1.00 53.25 C ATOM 1089 O ALA A 68 7.505 0.088 1.776 1.00 21.33 O ATOM 1090 CB ALA A 68 7.193 3.363 2.249 1.00 63.03 C ATOM 0 H ALA A 68 4.853 3.280 3.043 1.00 72.42 H new ATOM 0 HA ALA A 68 6.174 2.046 0.878 1.00 14.34 H new ATOM 0 HB1 ALA A 68 8.183 3.169 1.835 1.00 63.03 H new ATOM 0 HB2 ALA A 68 6.778 4.261 1.792 1.00 63.03 H new ATOM 0 HB3 ALA A 68 7.272 3.507 3.326 1.00 63.03 H new ATOM 1096 N LYS A 69 6.675 0.646 3.822 1.00 15.44 N ATOM 1097 CA LYS A 69 7.154 -0.555 4.512 1.00 33.22 C ATOM 1098 C LYS A 69 6.268 -1.777 4.179 1.00 13.23 C ATOM 1099 O LYS A 69 6.780 -2.821 3.779 1.00 32.11 O ATOM 1100 CB LYS A 69 7.201 -0.326 6.032 1.00 21.42 C ATOM 1101 CG LYS A 69 7.753 -1.535 6.824 1.00 21.22 C ATOM 1102 CD LYS A 69 7.772 -1.311 8.345 1.00 61.22 C ATOM 1103 CE LYS A 69 8.679 -0.147 8.772 1.00 54.54 C ATOM 1104 NZ LYS A 69 8.699 0.007 10.244 1.00 71.24 N ATOM 0 H LYS A 69 6.177 1.298 4.428 1.00 15.44 H new ATOM 0 HA LYS A 69 8.165 -0.762 4.161 1.00 33.22 H new ATOM 0 HB2 LYS A 69 7.819 0.547 6.240 1.00 21.42 H new ATOM 0 HB3 LYS A 69 6.196 -0.097 6.388 1.00 21.42 H new ATOM 0 HG2 LYS A 69 7.147 -2.413 6.601 1.00 21.22 H new ATOM 0 HG3 LYS A 69 8.766 -1.751 6.483 1.00 21.22 H new ATOM 0 HD2 LYS A 69 6.756 -1.118 8.690 1.00 61.22 H new ATOM 0 HD3 LYS A 69 8.108 -2.224 8.836 1.00 61.22 H new ATOM 0 HE2 LYS A 69 9.692 -0.320 8.409 1.00 54.54 H new ATOM 0 HE3 LYS A 69 8.329 0.777 8.312 1.00 54.54 H new ATOM 0 HZ1 LYS A 69 9.320 0.801 10.502 1.00 71.24 H new ATOM 0 HZ2 LYS A 69 7.735 0.196 10.586 1.00 71.24 H new ATOM 0 HZ3 LYS A 69 9.056 -0.867 10.680 1.00 71.24 H new ATOM 1118 N SER A 70 4.935 -1.622 4.332 1.00 54.01 N ATOM 1119 CA SER A 70 3.961 -2.718 4.123 1.00 30.44 C ATOM 1120 C SER A 70 4.026 -3.275 2.687 1.00 0.31 C ATOM 1121 O SER A 70 3.759 -4.463 2.465 1.00 45.42 O ATOM 1122 CB SER A 70 2.535 -2.227 4.453 1.00 74.25 C ATOM 1123 OG SER A 70 2.440 -1.803 5.805 1.00 3.52 O ATOM 0 H SER A 70 4.504 -0.738 4.603 1.00 54.01 H new ATOM 0 HA SER A 70 4.223 -3.533 4.798 1.00 30.44 H new ATOM 0 HB2 SER A 70 2.268 -1.403 3.791 1.00 74.25 H new ATOM 0 HB3 SER A 70 1.819 -3.028 4.269 1.00 74.25 H new ATOM 0 HG SER A 70 2.805 -0.897 5.890 1.00 3.52 H new ATOM 1129 N LEU A 71 4.396 -2.394 1.729 1.00 75.03 N ATOM 1130 CA LEU A 71 4.553 -2.745 0.308 1.00 32.44 C ATOM 1131 C LEU A 71 5.643 -3.824 0.161 1.00 1.52 C ATOM 1132 O LEU A 71 5.370 -4.915 -0.341 1.00 34.34 O ATOM 1133 CB LEU A 71 4.894 -1.462 -0.532 1.00 63.23 C ATOM 1134 CG LEU A 71 4.153 -1.294 -1.900 1.00 32.21 C ATOM 1135 CD1 LEU A 71 4.325 0.131 -2.449 1.00 11.42 C ATOM 1136 CD2 LEU A 71 4.606 -2.337 -2.940 1.00 75.43 C ATOM 0 H LEU A 71 4.594 -1.413 1.927 1.00 75.03 H new ATOM 0 HA LEU A 71 3.617 -3.151 -0.076 1.00 32.44 H new ATOM 0 HB2 LEU A 71 4.677 -0.587 0.081 1.00 63.23 H new ATOM 0 HB3 LEU A 71 5.967 -1.458 -0.725 1.00 63.23 H new ATOM 0 HG LEU A 71 3.094 -1.466 -1.710 1.00 32.21 H new ATOM 0 HD11 LEU A 71 3.800 0.220 -3.400 1.00 11.42 H new ATOM 0 HD12 LEU A 71 3.912 0.847 -1.738 1.00 11.42 H new ATOM 0 HD13 LEU A 71 5.385 0.338 -2.598 1.00 11.42 H new ATOM 0 HD21 LEU A 71 4.064 -2.180 -3.873 1.00 75.43 H new ATOM 0 HD22 LEU A 71 5.676 -2.231 -3.120 1.00 75.43 H new ATOM 0 HD23 LEU A 71 4.399 -3.339 -2.564 1.00 75.43 H new ATOM 1148 N LYS A 72 6.859 -3.527 0.686 1.00 21.42 N ATOM 1149 CA LYS A 72 8.034 -4.424 0.539 1.00 1.51 C ATOM 1150 C LYS A 72 7.873 -5.735 1.337 1.00 52.13 C ATOM 1151 O LYS A 72 8.411 -6.774 0.933 1.00 20.32 O ATOM 1152 CB LYS A 72 9.363 -3.705 0.907 1.00 33.11 C ATOM 1153 CG LYS A 72 9.474 -3.216 2.370 1.00 45.21 C ATOM 1154 CD LYS A 72 10.841 -2.558 2.688 1.00 62.44 C ATOM 1155 CE LYS A 72 11.140 -1.330 1.813 1.00 10.42 C ATOM 1156 NZ LYS A 72 12.477 -0.745 2.115 1.00 22.35 N ATOM 0 H LYS A 72 7.051 -2.675 1.214 1.00 21.42 H new ATOM 0 HA LYS A 72 8.084 -4.692 -0.516 1.00 1.51 H new ATOM 0 HB2 LYS A 72 10.191 -4.385 0.706 1.00 33.11 H new ATOM 0 HB3 LYS A 72 9.487 -2.848 0.246 1.00 33.11 H new ATOM 0 HG2 LYS A 72 8.677 -2.499 2.569 1.00 45.21 H new ATOM 0 HG3 LYS A 72 9.318 -4.060 3.042 1.00 45.21 H new ATOM 0 HD2 LYS A 72 10.859 -2.262 3.737 1.00 62.44 H new ATOM 0 HD3 LYS A 72 11.632 -3.295 2.551 1.00 62.44 H new ATOM 0 HE2 LYS A 72 11.097 -1.614 0.762 1.00 10.42 H new ATOM 0 HE3 LYS A 72 10.369 -0.575 1.971 1.00 10.42 H new ATOM 0 HZ1 LYS A 72 12.384 0.282 2.249 1.00 22.35 H new ATOM 0 HZ2 LYS A 72 12.856 -1.175 2.983 1.00 22.35 H new ATOM 0 HZ3 LYS A 72 13.125 -0.934 1.324 1.00 22.35 H new ATOM 1170 N GLU A 73 7.125 -5.678 2.458 1.00 64.23 N ATOM 1171 CA GLU A 73 6.842 -6.865 3.296 1.00 34.34 C ATOM 1172 C GLU A 73 5.882 -7.828 2.567 1.00 43.42 C ATOM 1173 O GLU A 73 6.001 -9.055 2.700 1.00 14.44 O ATOM 1174 CB GLU A 73 6.252 -6.442 4.661 1.00 51.51 C ATOM 1175 CG GLU A 73 7.169 -5.514 5.485 1.00 13.24 C ATOM 1176 CD GLU A 73 6.527 -5.057 6.804 1.00 45.55 C ATOM 1177 OE1 GLU A 73 5.572 -4.249 6.756 1.00 54.41 O ATOM 1178 OE2 GLU A 73 6.956 -5.512 7.886 1.00 63.41 O ATOM 0 H GLU A 73 6.703 -4.817 2.807 1.00 64.23 H new ATOM 0 HA GLU A 73 7.782 -7.387 3.476 1.00 34.34 H new ATOM 0 HB2 GLU A 73 5.300 -5.938 4.493 1.00 51.51 H new ATOM 0 HB3 GLU A 73 6.040 -7.337 5.246 1.00 51.51 H new ATOM 0 HG2 GLU A 73 8.103 -6.033 5.702 1.00 13.24 H new ATOM 0 HG3 GLU A 73 7.423 -4.638 4.888 1.00 13.24 H new ATOM 1185 N ALA A 74 4.937 -7.253 1.794 1.00 63.11 N ATOM 1186 CA ALA A 74 4.043 -8.026 0.918 1.00 10.23 C ATOM 1187 C ALA A 74 4.842 -8.662 -0.235 1.00 60.40 C ATOM 1188 O ALA A 74 4.606 -9.805 -0.601 1.00 43.35 O ATOM 1189 CB ALA A 74 2.909 -7.131 0.379 1.00 13.52 C ATOM 0 H ALA A 74 4.776 -6.246 1.762 1.00 63.11 H new ATOM 0 HA ALA A 74 3.590 -8.829 1.500 1.00 10.23 H new ATOM 0 HB1 ALA A 74 2.257 -7.719 -0.267 1.00 13.52 H new ATOM 0 HB2 ALA A 74 2.331 -6.734 1.213 1.00 13.52 H new ATOM 0 HB3 ALA A 74 3.336 -6.306 -0.191 1.00 13.52 H new ATOM 1195 N ILE A 75 5.828 -7.913 -0.759 1.00 72.04 N ATOM 1196 CA ILE A 75 6.662 -8.343 -1.901 1.00 53.14 C ATOM 1197 C ILE A 75 7.537 -9.561 -1.566 1.00 42.53 C ATOM 1198 O ILE A 75 7.661 -10.479 -2.390 1.00 1.42 O ATOM 1199 CB ILE A 75 7.527 -7.159 -2.428 1.00 20.22 C ATOM 1200 CG1 ILE A 75 6.596 -6.041 -2.988 1.00 72.32 C ATOM 1201 CG2 ILE A 75 8.546 -7.622 -3.501 1.00 12.31 C ATOM 1202 CD1 ILE A 75 7.252 -4.693 -3.094 1.00 34.10 C ATOM 0 H ILE A 75 6.072 -6.989 -0.403 1.00 72.04 H new ATOM 0 HA ILE A 75 5.982 -8.656 -2.693 1.00 53.14 H new ATOM 0 HB ILE A 75 8.106 -6.760 -1.595 1.00 20.22 H new ATOM 0 HG12 ILE A 75 6.241 -6.339 -3.974 1.00 72.32 H new ATOM 0 HG13 ILE A 75 5.719 -5.957 -2.346 1.00 72.32 H new ATOM 0 HG21 ILE A 75 9.129 -6.767 -3.842 1.00 12.31 H new ATOM 0 HG22 ILE A 75 9.214 -8.368 -3.070 1.00 12.31 H new ATOM 0 HG23 ILE A 75 8.012 -8.057 -4.346 1.00 12.31 H new ATOM 0 HD11 ILE A 75 6.538 -3.971 -3.492 1.00 34.10 H new ATOM 0 HD12 ILE A 75 7.582 -4.370 -2.107 1.00 34.10 H new ATOM 0 HD13 ILE A 75 8.112 -4.758 -3.761 1.00 34.10 H new ATOM 1214 N THR A 76 8.124 -9.568 -0.358 1.00 71.13 N ATOM 1215 CA THR A 76 8.931 -10.707 0.125 1.00 75.22 C ATOM 1216 C THR A 76 8.064 -11.988 0.240 1.00 24.33 C ATOM 1217 O THR A 76 8.581 -13.106 0.138 1.00 11.12 O ATOM 1218 CB THR A 76 9.615 -10.389 1.500 1.00 24.53 C ATOM 1219 OG1 THR A 76 8.619 -10.074 2.483 1.00 41.25 O ATOM 1220 CG2 THR A 76 10.600 -9.215 1.388 1.00 1.44 C ATOM 0 H THR A 76 8.056 -8.796 0.306 1.00 71.13 H new ATOM 0 HA THR A 76 9.718 -10.881 -0.609 1.00 75.22 H new ATOM 0 HB THR A 76 10.171 -11.277 1.801 1.00 24.53 H new ATOM 0 HG1 THR A 76 7.793 -9.796 2.035 1.00 41.25 H new ATOM 0 HG21 THR A 76 11.053 -9.026 2.361 1.00 1.44 H new ATOM 0 HG22 THR A 76 11.379 -9.461 0.667 1.00 1.44 H new ATOM 0 HG23 THR A 76 10.067 -8.324 1.056 1.00 1.44 H new ATOM 1228 N ALA A 77 6.739 -11.792 0.412 1.00 75.23 N ATOM 1229 CA ALA A 77 5.754 -12.879 0.514 1.00 74.31 C ATOM 1230 C ALA A 77 5.183 -13.288 -0.864 1.00 13.13 C ATOM 1231 O ALA A 77 4.588 -14.369 -0.975 1.00 34.34 O ATOM 1232 CB ALA A 77 4.625 -12.458 1.473 1.00 43.31 C ATOM 0 H ALA A 77 6.324 -10.863 0.484 1.00 75.23 H new ATOM 0 HA ALA A 77 6.262 -13.758 0.911 1.00 74.31 H new ATOM 0 HB1 ALA A 77 3.894 -13.263 1.550 1.00 43.31 H new ATOM 0 HB2 ALA A 77 5.043 -12.252 2.458 1.00 43.31 H new ATOM 0 HB3 ALA A 77 4.138 -11.561 1.090 1.00 43.31 H new ATOM 1238 N ILE A 78 5.349 -12.429 -1.911 1.00 32.52 N ATOM 1239 CA ILE A 78 4.913 -12.760 -3.298 1.00 51.13 C ATOM 1240 C ILE A 78 5.732 -13.965 -3.813 1.00 60.24 C ATOM 1241 O ILE A 78 6.962 -13.911 -3.761 1.00 52.13 O ATOM 1242 CB ILE A 78 5.091 -11.556 -4.327 1.00 31.42 C ATOM 1243 CG1 ILE A 78 4.310 -10.291 -3.872 1.00 65.32 C ATOM 1244 CG2 ILE A 78 4.655 -11.961 -5.765 1.00 54.03 C ATOM 1245 CD1 ILE A 78 4.494 -9.060 -4.758 1.00 14.15 C ATOM 0 H ILE A 78 5.779 -11.508 -1.820 1.00 32.52 H new ATOM 0 HA ILE A 78 3.848 -12.985 -3.242 1.00 51.13 H new ATOM 0 HB ILE A 78 6.154 -11.316 -4.344 1.00 31.42 H new ATOM 0 HG12 ILE A 78 3.248 -10.534 -3.831 1.00 65.32 H new ATOM 0 HG13 ILE A 78 4.618 -10.038 -2.858 1.00 65.32 H new ATOM 0 HG21 ILE A 78 4.791 -11.115 -6.438 1.00 54.03 H new ATOM 0 HG22 ILE A 78 5.263 -12.798 -6.107 1.00 54.03 H new ATOM 0 HG23 ILE A 78 3.605 -12.254 -5.758 1.00 54.03 H new ATOM 0 HD11 ILE A 78 3.909 -8.232 -4.357 1.00 14.15 H new ATOM 0 HD12 ILE A 78 5.548 -8.782 -4.781 1.00 14.15 H new ATOM 0 HD13 ILE A 78 4.156 -9.286 -5.769 1.00 14.15 H new ATOM 1257 N PRO A 79 5.078 -15.082 -4.276 1.00 35.40 N ATOM 1258 CA PRO A 79 5.784 -16.196 -4.959 1.00 51.43 C ATOM 1259 C PRO A 79 6.483 -15.709 -6.246 1.00 33.52 C ATOM 1260 O PRO A 79 6.050 -14.710 -6.839 1.00 13.52 O ATOM 1261 CB PRO A 79 4.652 -17.216 -5.262 1.00 25.11 C ATOM 1262 CG PRO A 79 3.540 -16.854 -4.320 1.00 3.43 C ATOM 1263 CD PRO A 79 3.620 -15.353 -4.165 1.00 14.14 C ATOM 0 HA PRO A 79 6.581 -16.630 -4.355 1.00 51.43 H new ATOM 0 HB2 PRO A 79 4.327 -17.148 -6.300 1.00 25.11 H new ATOM 0 HB3 PRO A 79 4.989 -18.240 -5.100 1.00 25.11 H new ATOM 0 HG2 PRO A 79 2.572 -17.157 -4.719 1.00 3.43 H new ATOM 0 HG3 PRO A 79 3.660 -17.355 -3.360 1.00 3.43 H new ATOM 0 HD2 PRO A 79 3.053 -14.837 -4.940 1.00 14.14 H new ATOM 0 HD3 PRO A 79 3.220 -15.025 -3.206 1.00 14.14 H new ATOM 1271 N GLU A 80 7.571 -16.395 -6.656 1.00 13.11 N ATOM 1272 CA GLU A 80 8.373 -16.018 -7.844 1.00 44.10 C ATOM 1273 C GLU A 80 7.566 -16.184 -9.146 1.00 25.14 C ATOM 1274 O GLU A 80 7.718 -17.162 -9.894 1.00 74.44 O ATOM 1275 CB GLU A 80 9.693 -16.821 -7.907 1.00 73.42 C ATOM 1276 CG GLU A 80 10.686 -16.527 -6.763 1.00 31.33 C ATOM 1277 CD GLU A 80 12.027 -17.263 -6.945 1.00 22.15 C ATOM 1278 OE1 GLU A 80 12.783 -16.911 -7.875 1.00 73.01 O ATOM 1279 OE2 GLU A 80 12.340 -18.189 -6.168 1.00 21.24 O ATOM 0 H GLU A 80 7.919 -17.224 -6.175 1.00 13.11 H new ATOM 0 HA GLU A 80 8.626 -14.963 -7.743 1.00 44.10 H new ATOM 0 HB2 GLU A 80 9.455 -17.885 -7.898 1.00 73.42 H new ATOM 0 HB3 GLU A 80 10.184 -16.612 -8.858 1.00 73.42 H new ATOM 0 HG2 GLU A 80 10.868 -15.454 -6.711 1.00 31.33 H new ATOM 0 HG3 GLU A 80 10.239 -16.821 -5.813 1.00 31.33 H new ATOM 1286 N GLU A 81 6.699 -15.197 -9.379 1.00 43.25 N ATOM 1287 CA GLU A 81 5.737 -15.145 -10.486 1.00 20.32 C ATOM 1288 C GLU A 81 5.537 -13.660 -10.845 1.00 75.12 C ATOM 1289 O GLU A 81 6.471 -12.843 -10.675 1.00 41.43 O ATOM 1290 CB GLU A 81 4.393 -15.831 -10.061 1.00 63.12 C ATOM 1291 CG GLU A 81 4.472 -17.359 -9.869 1.00 51.44 C ATOM 1292 CD GLU A 81 3.190 -17.977 -9.318 1.00 52.11 C ATOM 1293 OE1 GLU A 81 2.905 -17.778 -8.122 1.00 10.41 O ATOM 1294 OE2 GLU A 81 2.457 -18.661 -10.068 1.00 73.05 O ATOM 0 H GLU A 81 6.644 -14.376 -8.776 1.00 43.25 H new ATOM 0 HA GLU A 81 6.102 -15.686 -11.359 1.00 20.32 H new ATOM 0 HB2 GLU A 81 4.052 -15.380 -9.129 1.00 63.12 H new ATOM 0 HB3 GLU A 81 3.637 -15.614 -10.816 1.00 63.12 H new ATOM 0 HG2 GLU A 81 4.707 -17.825 -10.826 1.00 51.44 H new ATOM 0 HG3 GLU A 81 5.295 -17.589 -9.193 1.00 51.44 H new ATOM 1301 N GLU A 82 4.346 -13.328 -11.371 1.00 24.32 N ATOM 1302 CA GLU A 82 3.898 -11.949 -11.588 1.00 1.32 C ATOM 1303 C GLU A 82 3.883 -11.209 -10.233 1.00 2.22 C ATOM 1304 O GLU A 82 3.001 -11.448 -9.397 1.00 13.23 O ATOM 1305 CB GLU A 82 2.473 -11.939 -12.234 1.00 25.33 C ATOM 1306 CG GLU A 82 2.381 -12.464 -13.697 1.00 2.41 C ATOM 1307 CD GLU A 82 2.838 -13.921 -13.908 1.00 30.32 C ATOM 1308 OE1 GLU A 82 2.379 -14.814 -13.158 1.00 50.23 O ATOM 1309 OE2 GLU A 82 3.659 -14.182 -14.815 1.00 71.43 O ATOM 0 H GLU A 82 3.659 -14.024 -11.661 1.00 24.32 H new ATOM 0 HA GLU A 82 4.582 -11.443 -12.269 1.00 1.32 H new ATOM 0 HB2 GLU A 82 1.810 -12.540 -11.612 1.00 25.33 H new ATOM 0 HB3 GLU A 82 2.093 -10.918 -12.211 1.00 25.33 H new ATOM 0 HG2 GLU A 82 1.348 -12.373 -14.033 1.00 2.41 H new ATOM 0 HG3 GLU A 82 2.982 -11.817 -14.336 1.00 2.41 H new ATOM 1316 N GLY A 83 4.883 -10.347 -10.008 1.00 41.32 N ATOM 1317 CA GLY A 83 4.998 -9.587 -8.766 1.00 1.32 C ATOM 1318 C GLY A 83 6.444 -9.421 -8.330 1.00 71.22 C ATOM 1319 O GLY A 83 6.803 -8.419 -7.709 1.00 20.05 O ATOM 0 H GLY A 83 5.628 -10.161 -10.679 1.00 41.32 H new ATOM 0 HA2 GLY A 83 4.545 -8.605 -8.899 1.00 1.32 H new ATOM 0 HA3 GLY A 83 4.438 -10.092 -7.979 1.00 1.32 H new ATOM 1323 N ARG A 84 7.277 -10.422 -8.632 1.00 44.31 N ATOM 1324 CA ARG A 84 8.727 -10.331 -8.414 1.00 25.11 C ATOM 1325 C ARG A 84 9.342 -9.715 -9.682 1.00 51.10 C ATOM 1326 O ARG A 84 8.954 -10.100 -10.788 1.00 50.24 O ATOM 1327 CB ARG A 84 9.312 -11.732 -8.096 1.00 10.34 C ATOM 1328 CG ARG A 84 8.591 -12.461 -6.938 1.00 24.32 C ATOM 1329 CD ARG A 84 8.711 -11.755 -5.570 1.00 24.33 C ATOM 1330 NE ARG A 84 10.036 -11.942 -4.944 1.00 1.14 N ATOM 1331 CZ ARG A 84 10.248 -12.391 -3.688 1.00 30.22 C ATOM 1332 NH1 ARG A 84 9.240 -12.709 -2.880 1.00 35.21 N ATOM 1333 NH2 ARG A 84 11.474 -12.514 -3.236 1.00 1.43 N ATOM 0 H ARG A 84 6.971 -11.310 -9.030 1.00 44.31 H new ATOM 0 HA ARG A 84 8.962 -9.700 -7.556 1.00 25.11 H new ATOM 0 HB2 ARG A 84 9.257 -12.350 -8.992 1.00 10.34 H new ATOM 0 HB3 ARG A 84 10.368 -11.626 -7.845 1.00 10.34 H new ATOM 0 HG2 ARG A 84 7.535 -12.563 -7.190 1.00 24.32 H new ATOM 0 HG3 ARG A 84 8.997 -13.469 -6.850 1.00 24.32 H new ATOM 0 HD2 ARG A 84 8.522 -10.689 -5.698 1.00 24.33 H new ATOM 0 HD3 ARG A 84 7.941 -12.137 -4.900 1.00 24.33 H new ATOM 0 HE ARG A 84 10.856 -11.714 -5.505 1.00 1.14 H new ATOM 0 HH11 ARG A 84 8.277 -12.616 -3.205 1.00 35.21 H new ATOM 0 HH12 ARG A 84 9.430 -13.046 -1.936 1.00 35.21 H new ATOM 0 HH21 ARG A 84 12.264 -12.271 -3.833 1.00 1.43 H new ATOM 0 HH22 ARG A 84 11.636 -12.853 -2.288 1.00 1.43 H new ATOM 1347 N LYS A 85 10.258 -8.735 -9.500 1.00 43.44 N ATOM 1348 CA LYS A 85 10.800 -7.888 -10.594 1.00 11.20 C ATOM 1349 C LYS A 85 9.634 -7.192 -11.358 1.00 61.41 C ATOM 1350 O LYS A 85 9.610 -7.088 -12.590 1.00 64.21 O ATOM 1351 CB LYS A 85 11.747 -8.711 -11.532 1.00 25.03 C ATOM 1352 CG LYS A 85 12.520 -7.868 -12.584 1.00 42.22 C ATOM 1353 CD LYS A 85 13.451 -6.806 -11.945 1.00 43.15 C ATOM 1354 CE LYS A 85 14.029 -5.824 -12.981 1.00 41.20 C ATOM 1355 NZ LYS A 85 12.986 -4.919 -13.539 1.00 54.21 N ATOM 0 H LYS A 85 10.646 -8.507 -8.585 1.00 43.44 H new ATOM 0 HA LYS A 85 11.418 -7.099 -10.165 1.00 11.20 H new ATOM 0 HB2 LYS A 85 12.469 -9.247 -10.916 1.00 25.03 H new ATOM 0 HB3 LYS A 85 11.154 -9.462 -12.054 1.00 25.03 H new ATOM 0 HG2 LYS A 85 13.114 -8.534 -13.210 1.00 42.22 H new ATOM 0 HG3 LYS A 85 11.805 -7.369 -13.238 1.00 42.22 H new ATOM 0 HD2 LYS A 85 12.896 -6.248 -11.191 1.00 43.15 H new ATOM 0 HD3 LYS A 85 14.270 -7.309 -11.430 1.00 43.15 H new ATOM 0 HE2 LYS A 85 14.814 -5.228 -12.516 1.00 41.20 H new ATOM 0 HE3 LYS A 85 14.493 -6.385 -13.792 1.00 41.20 H new ATOM 0 HZ1 LYS A 85 13.443 -4.123 -14.028 1.00 54.21 H new ATOM 0 HZ2 LYS A 85 12.394 -5.445 -14.213 1.00 54.21 H new ATOM 0 HZ3 LYS A 85 12.392 -4.556 -12.766 1.00 54.21 H new ATOM 1369 N GLU A 86 8.666 -6.696 -10.566 1.00 54.04 N ATOM 1370 CA GLU A 86 7.479 -5.994 -11.065 1.00 23.12 C ATOM 1371 C GLU A 86 6.911 -5.114 -9.938 1.00 34.53 C ATOM 1372 O GLU A 86 6.934 -3.881 -10.021 1.00 72.40 O ATOM 1373 CB GLU A 86 6.415 -7.010 -11.591 1.00 61.10 C ATOM 1374 CG GLU A 86 5.130 -6.365 -12.161 1.00 35.20 C ATOM 1375 CD GLU A 86 5.400 -5.399 -13.339 1.00 44.24 C ATOM 1376 OE1 GLU A 86 5.546 -5.872 -14.489 1.00 43.31 O ATOM 1377 OE2 GLU A 86 5.459 -4.164 -13.120 1.00 33.50 O ATOM 0 H GLU A 86 8.691 -6.775 -9.549 1.00 54.04 H new ATOM 0 HA GLU A 86 7.754 -5.358 -11.906 1.00 23.12 H new ATOM 0 HB2 GLU A 86 6.872 -7.624 -12.367 1.00 61.10 H new ATOM 0 HB3 GLU A 86 6.138 -7.679 -10.777 1.00 61.10 H new ATOM 0 HG2 GLU A 86 4.454 -7.152 -12.494 1.00 35.20 H new ATOM 0 HG3 GLU A 86 4.620 -5.822 -11.365 1.00 35.20 H new ATOM 1384 N ALA A 87 6.417 -5.772 -8.877 1.00 30.42 N ATOM 1385 CA ALA A 87 5.880 -5.101 -7.680 1.00 43.41 C ATOM 1386 C ALA A 87 7.001 -4.575 -6.768 1.00 14.33 C ATOM 1387 O ALA A 87 6.784 -3.626 -6.012 1.00 54.02 O ATOM 1388 CB ALA A 87 4.942 -6.042 -6.905 1.00 45.15 C ATOM 0 H ALA A 87 6.378 -6.790 -8.824 1.00 30.42 H new ATOM 0 HA ALA A 87 5.305 -4.239 -8.018 1.00 43.41 H new ATOM 0 HB1 ALA A 87 4.556 -5.527 -6.025 1.00 45.15 H new ATOM 0 HB2 ALA A 87 4.111 -6.337 -7.546 1.00 45.15 H new ATOM 0 HB3 ALA A 87 5.493 -6.930 -6.594 1.00 45.15 H new ATOM 1394 N LYS A 88 8.200 -5.210 -6.839 1.00 60.42 N ATOM 1395 CA LYS A 88 9.322 -4.933 -5.914 1.00 1.44 C ATOM 1396 C LYS A 88 9.786 -3.460 -5.974 1.00 50.23 C ATOM 1397 O LYS A 88 10.035 -2.811 -4.947 1.00 0.33 O ATOM 1398 CB LYS A 88 10.502 -5.895 -6.177 1.00 44.15 C ATOM 1399 CG LYS A 88 11.618 -5.773 -5.116 1.00 1.21 C ATOM 1400 CD LYS A 88 12.706 -6.851 -5.275 1.00 23.23 C ATOM 1401 CE LYS A 88 13.773 -6.772 -4.163 1.00 13.43 C ATOM 1402 NZ LYS A 88 14.824 -7.816 -4.312 1.00 34.44 N ATOM 0 H LYS A 88 8.412 -5.924 -7.536 1.00 60.42 H new ATOM 0 HA LYS A 88 8.951 -5.107 -4.904 1.00 1.44 H new ATOM 0 HB2 LYS A 88 10.133 -6.920 -6.194 1.00 44.15 H new ATOM 0 HB3 LYS A 88 10.920 -5.690 -7.163 1.00 44.15 H new ATOM 0 HG2 LYS A 88 12.076 -4.786 -5.187 1.00 1.21 H new ATOM 0 HG3 LYS A 88 11.179 -5.849 -4.121 1.00 1.21 H new ATOM 0 HD2 LYS A 88 12.242 -7.837 -5.262 1.00 23.23 H new ATOM 0 HD3 LYS A 88 13.187 -6.738 -6.246 1.00 23.23 H new ATOM 0 HE2 LYS A 88 14.238 -5.786 -4.179 1.00 13.43 H new ATOM 0 HE3 LYS A 88 13.291 -6.881 -3.192 1.00 13.43 H new ATOM 0 HZ1 LYS A 88 15.518 -7.723 -3.543 1.00 34.44 H new ATOM 0 HZ2 LYS A 88 14.386 -8.758 -4.271 1.00 34.44 H new ATOM 0 HZ3 LYS A 88 15.304 -7.697 -5.227 1.00 34.44 H new ATOM 1416 N GLU A 89 9.844 -2.953 -7.201 1.00 51.44 N ATOM 1417 CA GLU A 89 10.291 -1.589 -7.526 1.00 62.44 C ATOM 1418 C GLU A 89 9.220 -0.545 -7.126 1.00 40.43 C ATOM 1419 O GLU A 89 9.543 0.631 -6.943 1.00 71.20 O ATOM 1420 CB GLU A 89 10.736 -1.460 -9.032 1.00 23.02 C ATOM 1421 CG GLU A 89 10.019 -2.380 -10.067 1.00 32.43 C ATOM 1422 CD GLU A 89 10.649 -3.790 -10.219 1.00 24.22 C ATOM 1423 OE1 GLU A 89 10.394 -4.668 -9.375 1.00 12.12 O ATOM 1424 OE2 GLU A 89 11.407 -4.016 -11.186 1.00 3.13 O ATOM 0 H GLU A 89 9.575 -3.489 -8.026 1.00 51.44 H new ATOM 0 HA GLU A 89 11.180 -1.376 -6.932 1.00 62.44 H new ATOM 0 HB2 GLU A 89 10.589 -0.425 -9.341 1.00 23.02 H new ATOM 0 HB3 GLU A 89 11.806 -1.660 -9.087 1.00 23.02 H new ATOM 0 HG2 GLU A 89 8.975 -2.492 -9.773 1.00 32.43 H new ATOM 0 HG3 GLU A 89 10.025 -1.886 -11.039 1.00 32.43 H new ATOM 1431 N MET A 90 7.944 -0.977 -7.050 1.00 64.02 N ATOM 1432 CA MET A 90 6.837 -0.132 -6.533 1.00 0.13 C ATOM 1433 C MET A 90 7.080 0.273 -5.056 1.00 62.23 C ATOM 1434 O MET A 90 6.698 1.373 -4.642 1.00 52.22 O ATOM 1435 CB MET A 90 5.467 -0.848 -6.640 1.00 2.24 C ATOM 1436 CG MET A 90 5.078 -1.330 -8.041 1.00 41.41 C ATOM 1437 SD MET A 90 3.332 -1.805 -8.159 1.00 14.40 S ATOM 1438 CE MET A 90 3.094 -2.807 -6.687 1.00 2.33 C ATOM 0 H MET A 90 7.650 -1.909 -7.340 1.00 64.02 H new ATOM 0 HA MET A 90 6.816 0.763 -7.155 1.00 0.13 H new ATOM 0 HB2 MET A 90 5.473 -1.707 -5.969 1.00 2.24 H new ATOM 0 HB3 MET A 90 4.694 -0.169 -6.282 1.00 2.24 H new ATOM 0 HG2 MET A 90 5.285 -0.540 -8.763 1.00 41.41 H new ATOM 0 HG3 MET A 90 5.701 -2.182 -8.314 1.00 41.41 H new ATOM 0 HE1 MET A 90 2.352 -3.579 -6.889 1.00 2.33 H new ATOM 0 HE2 MET A 90 4.038 -3.275 -6.409 1.00 2.33 H new ATOM 0 HE3 MET A 90 2.747 -2.175 -5.869 1.00 2.33 H new ATOM 1448 N ALA A 91 7.699 -0.645 -4.269 1.00 20.12 N ATOM 1449 CA ALA A 91 8.097 -0.374 -2.866 1.00 22.44 C ATOM 1450 C ALA A 91 9.098 0.781 -2.812 1.00 21.21 C ATOM 1451 O ALA A 91 8.971 1.681 -1.975 1.00 23.32 O ATOM 1452 CB ALA A 91 8.694 -1.626 -2.209 1.00 2.22 C ATOM 0 H ALA A 91 7.934 -1.585 -4.587 1.00 20.12 H new ATOM 0 HA ALA A 91 7.203 -0.093 -2.309 1.00 22.44 H new ATOM 0 HB1 ALA A 91 8.977 -1.398 -1.181 1.00 2.22 H new ATOM 0 HB2 ALA A 91 7.954 -2.427 -2.213 1.00 2.22 H new ATOM 0 HB3 ALA A 91 9.576 -1.944 -2.766 1.00 2.22 H new ATOM 1458 N LYS A 92 10.069 0.739 -3.750 1.00 33.34 N ATOM 1459 CA LYS A 92 11.082 1.785 -3.924 1.00 14.20 C ATOM 1460 C LYS A 92 10.411 3.138 -4.200 1.00 33.30 C ATOM 1461 O LYS A 92 10.794 4.139 -3.607 1.00 52.04 O ATOM 1462 CB LYS A 92 12.034 1.407 -5.084 1.00 35.45 C ATOM 1463 CG LYS A 92 13.142 2.443 -5.388 1.00 55.11 C ATOM 1464 CD LYS A 92 14.063 2.011 -6.551 1.00 1.33 C ATOM 1465 CE LYS A 92 14.749 0.655 -6.312 1.00 14.13 C ATOM 1466 NZ LYS A 92 15.693 0.315 -7.408 1.00 42.01 N ATOM 0 H LYS A 92 10.166 -0.032 -4.410 1.00 33.34 H new ATOM 0 HA LYS A 92 11.663 1.871 -3.006 1.00 14.20 H new ATOM 0 HB2 LYS A 92 12.505 0.452 -4.850 1.00 35.45 H new ATOM 0 HB3 LYS A 92 11.441 1.257 -5.986 1.00 35.45 H new ATOM 0 HG2 LYS A 92 12.681 3.400 -5.632 1.00 55.11 H new ATOM 0 HG3 LYS A 92 13.744 2.598 -4.492 1.00 55.11 H new ATOM 0 HD2 LYS A 92 13.477 1.957 -7.469 1.00 1.33 H new ATOM 0 HD3 LYS A 92 14.826 2.774 -6.704 1.00 1.33 H new ATOM 0 HE2 LYS A 92 15.286 0.681 -5.364 1.00 14.13 H new ATOM 0 HE3 LYS A 92 13.993 -0.125 -6.228 1.00 14.13 H new ATOM 0 HZ1 LYS A 92 16.136 -0.605 -7.212 1.00 42.01 H new ATOM 0 HZ2 LYS A 92 15.176 0.265 -8.309 1.00 42.01 H new ATOM 0 HZ3 LYS A 92 16.429 1.047 -7.472 1.00 42.01 H new ATOM 1480 N LYS A 93 9.377 3.125 -5.073 1.00 23.11 N ATOM 1481 CA LYS A 93 8.585 4.323 -5.436 1.00 13.34 C ATOM 1482 C LYS A 93 7.921 4.968 -4.209 1.00 33.31 C ATOM 1483 O LYS A 93 7.967 6.191 -4.048 1.00 63.01 O ATOM 1484 CB LYS A 93 7.502 3.955 -6.486 1.00 42.34 C ATOM 1485 CG LYS A 93 8.006 3.824 -7.930 1.00 24.30 C ATOM 1486 CD LYS A 93 8.414 5.194 -8.514 1.00 22.41 C ATOM 1487 CE LYS A 93 8.915 5.109 -9.958 1.00 42.32 C ATOM 1488 NZ LYS A 93 9.375 6.435 -10.449 1.00 75.43 N ATOM 0 H LYS A 93 9.067 2.277 -5.548 1.00 23.11 H new ATOM 0 HA LYS A 93 9.276 5.050 -5.862 1.00 13.34 H new ATOM 0 HB2 LYS A 93 7.041 3.012 -6.193 1.00 42.34 H new ATOM 0 HB3 LYS A 93 6.720 4.714 -6.459 1.00 42.34 H new ATOM 0 HG2 LYS A 93 8.859 3.147 -7.958 1.00 24.30 H new ATOM 0 HG3 LYS A 93 7.226 3.381 -8.550 1.00 24.30 H new ATOM 0 HD2 LYS A 93 7.559 5.869 -8.472 1.00 22.41 H new ATOM 0 HD3 LYS A 93 9.195 5.630 -7.890 1.00 22.41 H new ATOM 0 HE2 LYS A 93 9.734 4.392 -10.020 1.00 42.32 H new ATOM 0 HE3 LYS A 93 8.117 4.738 -10.601 1.00 42.32 H new ATOM 0 HZ1 LYS A 93 9.709 6.345 -11.430 1.00 75.43 H new ATOM 0 HZ2 LYS A 93 8.586 7.112 -10.412 1.00 75.43 H new ATOM 0 HZ3 LYS A 93 10.153 6.777 -9.849 1.00 75.43 H new ATOM 1502 N ALA A 94 7.314 4.127 -3.351 1.00 65.20 N ATOM 1503 CA ALA A 94 6.648 4.573 -2.113 1.00 5.24 C ATOM 1504 C ALA A 94 7.664 5.225 -1.148 1.00 62.31 C ATOM 1505 O ALA A 94 7.329 6.169 -0.423 1.00 4.02 O ATOM 1506 CB ALA A 94 5.928 3.392 -1.456 1.00 14.32 C ATOM 0 H ALA A 94 7.272 3.118 -3.497 1.00 65.20 H new ATOM 0 HA ALA A 94 5.905 5.331 -2.362 1.00 5.24 H new ATOM 0 HB1 ALA A 94 5.438 3.727 -0.542 1.00 14.32 H new ATOM 0 HB2 ALA A 94 5.181 2.993 -2.143 1.00 14.32 H new ATOM 0 HB3 ALA A 94 6.652 2.613 -1.215 1.00 14.32 H new ATOM 1512 N GLU A 95 8.916 4.711 -1.183 1.00 61.22 N ATOM 1513 CA GLU A 95 10.047 5.256 -0.409 1.00 34.50 C ATOM 1514 C GLU A 95 10.570 6.575 -1.021 1.00 41.31 C ATOM 1515 O GLU A 95 11.001 7.457 -0.280 1.00 72.34 O ATOM 1516 CB GLU A 95 11.197 4.226 -0.333 1.00 14.45 C ATOM 1517 CG GLU A 95 10.848 2.918 0.386 1.00 44.44 C ATOM 1518 CD GLU A 95 12.005 1.911 0.334 1.00 44.12 C ATOM 1519 OE1 GLU A 95 12.933 2.011 1.167 1.00 53.43 O ATOM 1520 OE2 GLU A 95 11.999 1.008 -0.536 1.00 5.34 O ATOM 0 H GLU A 95 9.167 3.903 -1.753 1.00 61.22 H new ATOM 0 HA GLU A 95 9.683 5.466 0.597 1.00 34.50 H new ATOM 0 HB2 GLU A 95 11.521 3.991 -1.347 1.00 14.45 H new ATOM 0 HB3 GLU A 95 12.045 4.687 0.174 1.00 14.45 H new ATOM 0 HG2 GLU A 95 10.598 3.130 1.425 1.00 44.44 H new ATOM 0 HG3 GLU A 95 9.962 2.477 -0.071 1.00 44.44 H new ATOM 1527 N GLU A 96 10.519 6.692 -2.375 1.00 5.44 N ATOM 1528 CA GLU A 96 10.955 7.908 -3.113 1.00 64.11 C ATOM 1529 C GLU A 96 10.144 9.120 -2.646 1.00 72.40 C ATOM 1530 O GLU A 96 10.687 10.196 -2.356 1.00 33.14 O ATOM 1531 CB GLU A 96 10.767 7.744 -4.658 1.00 32.03 C ATOM 1532 CG GLU A 96 11.586 6.620 -5.322 1.00 34.32 C ATOM 1533 CD GLU A 96 13.101 6.867 -5.328 1.00 14.32 C ATOM 1534 OE1 GLU A 96 13.780 6.545 -4.329 1.00 61.33 O ATOM 1535 OE2 GLU A 96 13.626 7.392 -6.335 1.00 70.04 O ATOM 0 H GLU A 96 10.176 5.949 -2.983 1.00 5.44 H new ATOM 0 HA GLU A 96 12.015 8.055 -2.904 1.00 64.11 H new ATOM 0 HB2 GLU A 96 9.711 7.564 -4.859 1.00 32.03 H new ATOM 0 HB3 GLU A 96 11.026 8.688 -5.138 1.00 32.03 H new ATOM 0 HG2 GLU A 96 11.384 5.683 -4.803 1.00 34.32 H new ATOM 0 HG3 GLU A 96 11.245 6.495 -6.350 1.00 34.32 H new ATOM 1542 N TRP A 97 8.825 8.892 -2.577 1.00 10.13 N ATOM 1543 CA TRP A 97 7.842 9.885 -2.151 1.00 53.11 C ATOM 1544 C TRP A 97 8.003 10.187 -0.661 1.00 31.13 C ATOM 1545 O TRP A 97 7.874 11.334 -0.239 1.00 33.53 O ATOM 1546 CB TRP A 97 6.423 9.362 -2.457 1.00 34.25 C ATOM 1547 CG TRP A 97 6.217 8.995 -3.906 1.00 21.22 C ATOM 1548 CD1 TRP A 97 6.794 9.586 -5.000 1.00 15.50 C ATOM 1549 CD2 TRP A 97 5.369 7.966 -4.419 1.00 13.41 C ATOM 1550 NE1 TRP A 97 6.382 8.962 -6.143 1.00 42.33 N ATOM 1551 CE2 TRP A 97 5.500 7.977 -5.819 1.00 32.43 C ATOM 1552 CE3 TRP A 97 4.522 7.032 -3.827 1.00 44.14 C ATOM 1553 CZ2 TRP A 97 4.828 7.081 -6.632 1.00 24.21 C ATOM 1554 CZ3 TRP A 97 3.839 6.156 -4.636 1.00 13.35 C ATOM 1555 CH2 TRP A 97 3.997 6.189 -6.025 1.00 13.21 C ATOM 0 H TRP A 97 8.409 7.994 -2.821 1.00 10.13 H new ATOM 0 HA TRP A 97 8.002 10.814 -2.699 1.00 53.11 H new ATOM 0 HB2 TRP A 97 6.225 8.488 -1.837 1.00 34.25 H new ATOM 0 HB3 TRP A 97 5.695 10.123 -2.176 1.00 34.25 H new ATOM 0 HD1 TRP A 97 7.475 10.423 -4.963 1.00 15.50 H new ATOM 0 HE1 TRP A 97 6.686 9.196 -7.088 1.00 42.33 H new ATOM 0 HE3 TRP A 97 4.404 6.997 -2.754 1.00 44.14 H new ATOM 0 HZ2 TRP A 97 4.957 7.089 -7.704 1.00 24.21 H new ATOM 0 HZ3 TRP A 97 3.171 5.432 -4.193 1.00 13.35 H new ATOM 0 HH2 TRP A 97 3.445 5.488 -6.633 1.00 13.21 H new ATOM 1566 N LEU A 98 8.313 9.135 0.119 1.00 41.23 N ATOM 1567 CA LEU A 98 8.551 9.246 1.561 1.00 54.41 C ATOM 1568 C LEU A 98 9.780 10.136 1.853 1.00 42.42 C ATOM 1569 O LEU A 98 9.777 10.894 2.820 1.00 5.04 O ATOM 1570 CB LEU A 98 8.728 7.836 2.184 1.00 23.02 C ATOM 1571 CG LEU A 98 8.837 7.792 3.737 1.00 70.35 C ATOM 1572 CD1 LEU A 98 7.602 8.444 4.389 1.00 72.04 C ATOM 1573 CD2 LEU A 98 9.055 6.349 4.245 1.00 32.21 C ATOM 0 H LEU A 98 8.404 8.184 -0.239 1.00 41.23 H new ATOM 0 HA LEU A 98 7.683 9.721 2.018 1.00 54.41 H new ATOM 0 HB2 LEU A 98 7.885 7.216 1.880 1.00 23.02 H new ATOM 0 HB3 LEU A 98 9.625 7.383 1.762 1.00 23.02 H new ATOM 0 HG LEU A 98 9.713 8.371 4.031 1.00 70.35 H new ATOM 0 HD11 LEU A 98 7.699 8.402 5.474 1.00 72.04 H new ATOM 0 HD12 LEU A 98 7.529 9.484 4.071 1.00 72.04 H new ATOM 0 HD13 LEU A 98 6.704 7.907 4.084 1.00 72.04 H new ATOM 0 HD21 LEU A 98 9.127 6.353 5.333 1.00 32.21 H new ATOM 0 HD22 LEU A 98 8.215 5.725 3.939 1.00 32.21 H new ATOM 0 HD23 LEU A 98 9.977 5.950 3.822 1.00 32.21 H new ATOM 1585 N GLN A 99 10.816 10.045 0.989 1.00 2.43 N ATOM 1586 CA GLN A 99 12.036 10.872 1.100 1.00 24.44 C ATOM 1587 C GLN A 99 11.764 12.320 0.647 1.00 74.13 C ATOM 1588 O GLN A 99 12.398 13.256 1.146 1.00 2.32 O ATOM 1589 CB GLN A 99 13.198 10.265 0.265 1.00 34.55 C ATOM 1590 CG GLN A 99 13.667 8.864 0.717 1.00 60.50 C ATOM 1591 CD GLN A 99 14.196 8.808 2.157 1.00 4.52 C ATOM 1592 OE1 GLN A 99 14.729 9.787 2.690 1.00 4.41 O ATOM 1593 NE2 GLN A 99 14.078 7.648 2.791 1.00 30.14 N ATOM 0 H GLN A 99 10.829 9.399 0.199 1.00 2.43 H new ATOM 0 HA GLN A 99 12.330 10.884 2.149 1.00 24.44 H new ATOM 0 HB2 GLN A 99 12.884 10.207 -0.777 1.00 34.55 H new ATOM 0 HB3 GLN A 99 14.048 10.946 0.305 1.00 34.55 H new ATOM 0 HG2 GLN A 99 12.835 8.167 0.621 1.00 60.50 H new ATOM 0 HG3 GLN A 99 14.450 8.521 0.041 1.00 60.50 H new ATOM 0 HE21 GLN A 99 13.633 6.856 2.327 1.00 30.14 H new ATOM 0 HE22 GLN A 99 14.432 7.549 3.742 1.00 30.14 H new ATOM 1602 N ALA A 100 10.822 12.479 -0.307 1.00 72.31 N ATOM 1603 CA ALA A 100 10.380 13.804 -0.788 1.00 51.30 C ATOM 1604 C ALA A 100 9.671 14.580 0.342 1.00 4.34 C ATOM 1605 O ALA A 100 9.795 15.804 0.437 1.00 2.10 O ATOM 1606 CB ALA A 100 9.459 13.651 -2.017 1.00 74.12 C ATOM 0 H ALA A 100 10.350 11.698 -0.762 1.00 72.31 H new ATOM 0 HA ALA A 100 11.257 14.376 -1.091 1.00 51.30 H new ATOM 0 HB1 ALA A 100 9.142 14.636 -2.359 1.00 74.12 H new ATOM 0 HB2 ALA A 100 10.001 13.146 -2.817 1.00 74.12 H new ATOM 0 HB3 ALA A 100 8.583 13.063 -1.744 1.00 74.12 H new ATOM 1612 N GLU A 101 8.952 13.831 1.199 1.00 5.52 N ATOM 1613 CA GLU A 101 8.260 14.379 2.380 1.00 22.11 C ATOM 1614 C GLU A 101 9.255 14.622 3.532 1.00 53.52 C ATOM 1615 O GLU A 101 9.228 15.671 4.184 1.00 30.13 O ATOM 1616 CB GLU A 101 7.149 13.401 2.829 1.00 11.35 C ATOM 1617 CG GLU A 101 6.079 13.090 1.762 1.00 75.04 C ATOM 1618 CD GLU A 101 5.246 14.310 1.333 1.00 40.32 C ATOM 1619 OE1 GLU A 101 5.651 15.031 0.390 1.00 30.21 O ATOM 1620 OE2 GLU A 101 4.180 14.557 1.944 1.00 73.11 O ATOM 0 H GLU A 101 8.834 12.824 1.091 1.00 5.52 H new ATOM 0 HA GLU A 101 7.812 15.336 2.112 1.00 22.11 H new ATOM 0 HB2 GLU A 101 7.614 12.465 3.138 1.00 11.35 H new ATOM 0 HB3 GLU A 101 6.654 13.816 3.707 1.00 11.35 H new ATOM 0 HG2 GLU A 101 6.569 12.671 0.883 1.00 75.04 H new ATOM 0 HG3 GLU A 101 5.408 12.323 2.149 1.00 75.04 H new ATOM 1627 N GLN A 102 10.155 13.639 3.753 1.00 72.03 N ATOM 1628 CA GLN A 102 11.177 13.682 4.828 1.00 52.22 C ATOM 1629 C GLN A 102 12.476 14.365 4.350 1.00 54.11 C ATOM 1630 O GLN A 102 13.570 14.074 4.861 1.00 54.14 O ATOM 1631 CB GLN A 102 11.475 12.243 5.351 1.00 4.41 C ATOM 1632 CG GLN A 102 10.288 11.532 6.040 1.00 43.01 C ATOM 1633 CD GLN A 102 10.674 10.190 6.682 1.00 75.11 C ATOM 1634 OE1 GLN A 102 11.798 10.002 7.136 1.00 15.33 O ATOM 1635 NE2 GLN A 102 9.749 9.251 6.751 1.00 14.10 N ATOM 0 H GLN A 102 10.195 12.789 3.190 1.00 72.03 H new ATOM 0 HA GLN A 102 10.774 14.278 5.647 1.00 52.22 H new ATOM 0 HB2 GLN A 102 11.807 11.631 4.512 1.00 4.41 H new ATOM 0 HB3 GLN A 102 12.305 12.295 6.056 1.00 4.41 H new ATOM 0 HG2 GLN A 102 9.875 12.188 6.806 1.00 43.01 H new ATOM 0 HG3 GLN A 102 9.499 11.363 5.307 1.00 43.01 H new ATOM 0 HE21 GLN A 102 8.819 9.422 6.369 1.00 14.10 H new ATOM 0 HE22 GLN A 102 9.964 8.354 7.186 1.00 14.10 H new ATOM 1644 N ASN A 103 12.346 15.293 3.381 1.00 21.34 N ATOM 1645 CA ASN A 103 13.472 16.091 2.869 1.00 61.50 C ATOM 1646 C ASN A 103 13.941 17.088 3.958 1.00 2.40 C ATOM 1647 O ASN A 103 13.327 18.150 4.151 1.00 53.14 O ATOM 1648 CB ASN A 103 13.046 16.829 1.566 1.00 24.24 C ATOM 1649 CG ASN A 103 14.160 17.679 0.947 1.00 2.42 C ATOM 1650 OD1 ASN A 103 14.930 17.210 0.107 1.00 22.32 O ATOM 1651 ND2 ASN A 103 14.264 18.933 1.362 1.00 53.53 N ATOM 0 H ASN A 103 11.456 15.509 2.933 1.00 21.34 H new ATOM 0 HA ASN A 103 14.309 15.436 2.626 1.00 61.50 H new ATOM 0 HB2 ASN A 103 12.714 16.093 0.834 1.00 24.24 H new ATOM 0 HB3 ASN A 103 12.191 17.469 1.785 1.00 24.24 H new ATOM 0 HD21 ASN A 103 14.995 19.536 0.985 1.00 53.53 H new ATOM 0 HD22 ASN A 103 13.613 19.295 2.059 1.00 53.53 H new ATOM 1658 N ASN A 104 14.996 16.702 4.694 1.00 33.41 N ATOM 1659 CA ASN A 104 15.542 17.476 5.821 1.00 14.14 C ATOM 1660 C ASN A 104 16.997 17.004 6.077 1.00 2.35 C ATOM 1661 O ASN A 104 17.189 15.980 6.770 1.00 4.52 O ATOM 1662 CB ASN A 104 14.634 17.300 7.083 1.00 4.54 C ATOM 1663 CG ASN A 104 15.110 18.093 8.306 1.00 71.54 C ATOM 1664 OD1 ASN A 104 14.737 19.252 8.496 1.00 63.42 O ATOM 1665 ND2 ASN A 104 15.935 17.482 9.144 1.00 73.32 N ATOM 1666 OXT ASN A 104 17.942 17.620 5.537 1.00 36.95 O ATOM 0 H ASN A 104 15.500 15.832 4.521 1.00 33.41 H new ATOM 0 HA ASN A 104 15.557 18.541 5.588 1.00 14.14 H new ATOM 0 HB2 ASN A 104 13.619 17.609 6.834 1.00 4.54 H new ATOM 0 HB3 ASN A 104 14.590 16.242 7.342 1.00 4.54 H new ATOM 0 HD21 ASN A 104 16.277 17.972 9.971 1.00 73.32 H new ATOM 0 HD22 ASN A 104 16.228 16.522 8.962 1.00 73.32 H new TER 1673 ASN A 104