USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 20 SER OG : rot 75:sc= 0.951 USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 1.38 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.908) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.16 K(o=1.2,f=-0.005) USER MOD Single : A 17 THR OG1 : rot -158:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.429) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 28 TYR OH : rot 42:sc= 0.527 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 35 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 39 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0069 K(o=-0.0069,f=-0.51) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -174:sc= 0.183 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.16) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.0615 USER MOD Single : A 79 GLN : amide:sc= -0.335 K(o=-0.34,f=-3.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 11:sc= 0.0059 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.978 10.113 0.080 1.00 0.00 N ATOM 20 CA SER A 2 -9.107 9.478 1.020 1.00 0.00 C ATOM 21 C SER A 2 -9.810 8.796 2.144 1.00 0.00 C ATOM 22 O SER A 2 -9.232 7.940 2.813 1.00 0.00 O ATOM 23 CB SER A 2 -8.116 10.452 1.680 1.00 0.00 C ATOM 24 OG SER A 2 -7.248 11.009 0.704 1.00 0.00 O ATOM 0 HA SER A 2 -8.591 8.746 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.661 11.248 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.533 9.930 2.439 1.00 0.00 H new ATOM 0 HG SER A 2 -6.624 11.628 1.137 1.00 0.00 H new ATOM 30 N GLN A 3 -11.083 9.117 2.437 1.00 0.00 N ATOM 31 CA GLN A 3 -11.792 8.429 3.471 1.00 0.00 C ATOM 32 C GLN A 3 -12.151 7.036 3.083 1.00 0.00 C ATOM 33 O GLN A 3 -12.066 6.091 3.865 1.00 0.00 O ATOM 34 CB GLN A 3 -12.991 9.263 3.953 1.00 0.00 C ATOM 35 CG GLN A 3 -13.553 8.799 5.300 1.00 0.00 C ATOM 36 CD GLN A 3 -14.291 9.911 6.032 1.00 0.00 C ATOM 37 OE1 GLN A 3 -13.710 10.617 6.854 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.610 10.086 5.746 1.00 0.00 N ATOM 0 H GLN A 3 -11.617 9.846 1.963 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.124 8.316 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.689 10.307 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.781 9.217 3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.231 7.961 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.738 8.434 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.067 9.486 5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.142 10.817 6.218 1.00 0.00 H new ATOM 47 N LEU A 4 -12.460 6.845 1.788 1.00 0.00 N ATOM 48 CA LEU A 4 -12.698 5.581 1.165 1.00 0.00 C ATOM 49 C LEU A 4 -11.487 4.713 1.202 1.00 0.00 C ATOM 50 O LEU A 4 -11.535 3.526 1.523 1.00 0.00 O ATOM 51 CB LEU A 4 -13.003 5.728 -0.335 1.00 0.00 C ATOM 52 CG LEU A 4 -13.276 4.374 -1.013 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.501 3.668 -0.410 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.491 4.595 -2.519 1.00 0.00 C ATOM 0 H LEU A 4 -12.549 7.624 1.136 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.535 5.154 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.869 6.378 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.162 6.215 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.412 3.731 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.659 2.716 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.332 3.490 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.382 4.297 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.685 3.638 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.343 5.258 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.598 5.046 -2.952 1.00 0.00 H new ATOM 66 N PHE A 5 -10.345 5.325 0.841 1.00 0.00 N ATOM 67 CA PHE A 5 -9.044 4.733 0.807 1.00 0.00 C ATOM 68 C PHE A 5 -8.750 3.991 2.065 1.00 0.00 C ATOM 69 O PHE A 5 -8.350 2.828 2.052 1.00 0.00 O ATOM 70 CB PHE A 5 -8.052 5.868 0.505 1.00 0.00 C ATOM 71 CG PHE A 5 -6.609 5.503 0.598 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.012 5.351 1.826 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.850 5.370 -0.541 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.693 4.978 1.934 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.523 5.019 -0.455 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.961 4.808 0.782 1.00 0.00 C ATOM 0 H PHE A 5 -10.331 6.303 0.553 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.966 3.974 0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.250 6.242 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.246 6.689 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.589 5.528 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.298 5.542 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.241 4.822 2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.928 4.910 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.927 4.504 0.850 1.00 0.00 H new ATOM 86 N GLU A 6 -9.004 4.631 3.220 1.00 0.00 N ATOM 87 CA GLU A 6 -8.692 4.078 4.502 1.00 0.00 C ATOM 88 C GLU A 6 -9.660 3.021 4.909 1.00 0.00 C ATOM 89 O GLU A 6 -9.256 1.989 5.442 1.00 0.00 O ATOM 90 CB GLU A 6 -8.544 5.160 5.585 1.00 0.00 C ATOM 91 CG GLU A 6 -7.163 5.818 5.533 1.00 0.00 C ATOM 92 CD GLU A 6 -6.974 6.831 6.653 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.751 7.818 6.742 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.043 6.664 7.487 1.00 0.00 O ATOM 0 H GLU A 6 -9.436 5.554 3.265 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.719 3.598 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.315 5.919 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.700 4.716 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.392 5.050 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.033 6.313 4.570 1.00 0.00 H new ATOM 101 N GLU A 7 -10.957 3.204 4.604 1.00 0.00 N ATOM 102 CA GLU A 7 -11.999 2.242 4.788 1.00 0.00 C ATOM 103 C GLU A 7 -11.703 0.927 4.153 1.00 0.00 C ATOM 104 O GLU A 7 -11.775 -0.124 4.788 1.00 0.00 O ATOM 105 CB GLU A 7 -13.310 2.837 4.247 1.00 0.00 C ATOM 106 CG GLU A 7 -14.464 1.856 4.025 1.00 0.00 C ATOM 107 CD GLU A 7 -15.661 2.511 3.351 1.00 0.00 C ATOM 108 OE1 GLU A 7 -16.308 3.396 3.971 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.974 2.121 2.195 1.00 0.00 O ATOM 0 H GLU A 7 -11.298 4.078 4.204 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.087 2.034 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.646 3.608 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.095 3.331 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.117 1.023 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.773 1.440 4.984 1.00 0.00 H new ATOM 116 N LYS A 8 -11.332 0.920 2.860 1.00 0.00 N ATOM 117 CA LYS A 8 -11.056 -0.288 2.144 1.00 0.00 C ATOM 118 C LYS A 8 -9.656 -0.780 2.273 1.00 0.00 C ATOM 119 O LYS A 8 -9.436 -1.985 2.151 1.00 0.00 O ATOM 120 CB LYS A 8 -11.435 -0.169 0.659 1.00 0.00 C ATOM 121 CG LYS A 8 -12.910 0.123 0.377 1.00 0.00 C ATOM 122 CD LYS A 8 -13.872 -0.849 1.062 1.00 0.00 C ATOM 123 CE LYS A 8 -15.268 -0.979 0.452 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.909 0.331 0.199 1.00 0.00 N ATOM 0 H LYS A 8 -11.222 1.767 2.302 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.689 -1.035 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.834 0.622 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.164 -1.098 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.139 1.137 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.079 0.089 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.410 -1.836 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.983 -0.542 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.200 -1.532 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.899 -1.564 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.943 0.224 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.608 1.011 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.627 0.680 -0.739 1.00 0.00 H new ATOM 138 N ALA A 9 -8.639 0.054 2.552 1.00 0.00 N ATOM 139 CA ALA A 9 -7.286 -0.395 2.682 1.00 0.00 C ATOM 140 C ALA A 9 -7.080 -1.352 3.805 1.00 0.00 C ATOM 141 O ALA A 9 -6.487 -2.424 3.693 1.00 0.00 O ATOM 142 CB ALA A 9 -6.367 0.804 2.964 1.00 0.00 C ATOM 0 H ALA A 9 -8.757 1.058 2.690 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.054 -0.896 1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.338 0.458 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.434 1.515 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.677 1.290 3.889 1.00 0.00 H new ATOM 148 N LYS A 10 -7.640 -0.967 4.966 1.00 0.00 N ATOM 149 CA LYS A 10 -7.689 -1.753 6.159 1.00 0.00 C ATOM 150 C LYS A 10 -8.505 -2.995 6.049 1.00 0.00 C ATOM 151 O LYS A 10 -8.310 -3.944 6.808 1.00 0.00 O ATOM 152 CB LYS A 10 -8.241 -0.797 7.228 1.00 0.00 C ATOM 153 CG LYS A 10 -7.128 0.056 7.841 1.00 0.00 C ATOM 154 CD LYS A 10 -7.594 0.986 8.963 1.00 0.00 C ATOM 155 CE LYS A 10 -8.570 2.062 8.483 1.00 0.00 C ATOM 156 NZ LYS A 10 -8.846 3.045 9.555 1.00 0.00 N ATOM 0 H LYS A 10 -8.083 -0.055 5.077 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.698 -2.137 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.996 -0.148 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.735 -1.371 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.353 -0.604 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.670 0.656 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.071 0.393 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.725 1.466 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.155 2.573 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.502 1.596 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.510 3.764 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.263 2.558 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.958 3.505 9.842 1.00 0.00 H new ATOM 170 N ALA A 11 -9.414 -3.080 5.061 1.00 0.00 N ATOM 171 CA ALA A 11 -10.083 -4.294 4.713 1.00 0.00 C ATOM 172 C ALA A 11 -9.166 -5.205 3.972 1.00 0.00 C ATOM 173 O ALA A 11 -8.895 -6.310 4.439 1.00 0.00 O ATOM 174 CB ALA A 11 -11.347 -4.050 3.870 1.00 0.00 C ATOM 0 H ALA A 11 -9.691 -2.282 4.489 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.390 -4.758 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.816 -5.005 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.046 -3.432 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.075 -3.540 2.946 1.00 0.00 H new ATOM 180 N VAL A 12 -8.619 -4.777 2.820 1.00 0.00 N ATOM 181 CA VAL A 12 -7.883 -5.582 1.897 1.00 0.00 C ATOM 182 C VAL A 12 -6.626 -6.134 2.477 1.00 0.00 C ATOM 183 O VAL A 12 -6.212 -7.240 2.133 1.00 0.00 O ATOM 184 CB VAL A 12 -7.625 -4.933 0.570 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.983 -4.640 -0.090 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.775 -3.656 0.679 1.00 0.00 C ATOM 0 H VAL A 12 -8.697 -3.807 2.515 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.552 -6.419 1.696 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.040 -5.618 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.822 -4.167 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.529 -5.573 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.561 -3.972 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.624 -3.234 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.289 -2.929 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.809 -3.899 1.121 1.00 0.00 H new ATOM 196 N ASN A 13 -6.018 -5.435 3.453 1.00 0.00 N ATOM 197 CA ASN A 13 -4.859 -5.944 4.117 1.00 0.00 C ATOM 198 C ASN A 13 -5.129 -7.107 5.008 1.00 0.00 C ATOM 199 O ASN A 13 -4.203 -7.857 5.315 1.00 0.00 O ATOM 200 CB ASN A 13 -4.139 -4.838 4.906 1.00 0.00 C ATOM 201 CG ASN A 13 -3.244 -4.024 3.982 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.093 -4.388 3.749 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.753 -2.884 3.442 1.00 0.00 N ATOM 0 H ASN A 13 -6.328 -4.520 3.781 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.212 -6.308 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.872 -4.185 5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.542 -5.281 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.176 -2.309 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.711 -2.604 3.651 1.00 0.00 H new ATOM 210 N GLU A 14 -6.377 -7.345 5.447 1.00 0.00 N ATOM 211 CA GLU A 14 -6.695 -8.447 6.302 1.00 0.00 C ATOM 212 C GLU A 14 -7.919 -9.171 5.860 1.00 0.00 C ATOM 213 O GLU A 14 -8.653 -9.771 6.644 1.00 0.00 O ATOM 214 CB GLU A 14 -6.781 -7.954 7.757 1.00 0.00 C ATOM 215 CG GLU A 14 -6.599 -9.021 8.837 1.00 0.00 C ATOM 216 CD GLU A 14 -5.275 -9.761 8.720 1.00 0.00 C ATOM 217 OE1 GLU A 14 -4.198 -9.122 8.859 1.00 0.00 O ATOM 218 OE2 GLU A 14 -5.294 -10.998 8.479 1.00 0.00 O ATOM 0 H GLU A 14 -7.179 -6.763 5.205 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.895 -9.185 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.024 -7.183 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.752 -7.480 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.662 -8.552 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.417 -9.738 8.774 1.00 0.00 H new ATOM 225 N LEU A 15 -8.192 -9.195 4.543 1.00 0.00 N ATOM 226 CA LEU A 15 -9.246 -9.961 3.955 1.00 0.00 C ATOM 227 C LEU A 15 -8.989 -11.426 4.042 1.00 0.00 C ATOM 228 O LEU A 15 -7.830 -11.820 4.174 1.00 0.00 O ATOM 229 CB LEU A 15 -9.453 -9.499 2.503 1.00 0.00 C ATOM 230 CG LEU A 15 -10.518 -8.405 2.315 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.612 -7.994 0.835 1.00 0.00 C ATOM 232 CD2 LEU A 15 -11.937 -8.790 2.766 1.00 0.00 C ATOM 0 H LEU A 15 -7.656 -8.659 3.860 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.164 -9.787 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.503 -9.131 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.730 -10.363 1.899 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.177 -7.591 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.370 -7.219 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.648 -7.610 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.885 -8.861 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.614 -7.953 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.277 -9.655 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.927 -9.035 3.828 1.00 0.00 H new ATOM 244 N PRO A 16 -9.949 -12.301 4.009 1.00 0.00 N ATOM 245 CA PRO A 16 -9.754 -13.701 4.253 1.00 0.00 C ATOM 246 C PRO A 16 -9.143 -14.384 3.077 1.00 0.00 C ATOM 247 O PRO A 16 -8.593 -15.475 3.212 1.00 0.00 O ATOM 248 CB PRO A 16 -11.171 -14.232 4.460 1.00 0.00 C ATOM 249 CG PRO A 16 -12.046 -13.350 3.554 1.00 0.00 C ATOM 250 CD PRO A 16 -11.317 -11.999 3.615 1.00 0.00 C ATOM 0 HA PRO A 16 -9.085 -13.875 5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.246 -15.284 4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.476 -14.155 5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.100 -13.738 2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.069 -13.277 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.343 -11.497 2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.792 -11.331 4.334 1.00 0.00 H new ATOM 258 N THR A 17 -9.244 -13.753 1.894 1.00 0.00 N ATOM 259 CA THR A 17 -8.659 -14.170 0.658 1.00 0.00 C ATOM 260 C THR A 17 -7.601 -13.139 0.461 1.00 0.00 C ATOM 261 O THR A 17 -7.757 -12.160 -0.268 1.00 0.00 O ATOM 262 CB THR A 17 -9.673 -14.230 -0.445 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.606 -15.267 -0.176 1.00 0.00 O ATOM 264 CG2 THR A 17 -9.072 -14.573 -1.819 1.00 0.00 C ATOM 0 H THR A 17 -9.774 -12.887 1.796 1.00 0.00 H new ATOM 0 HA THR A 17 -8.256 -15.183 0.661 1.00 0.00 H new ATOM 0 HB THR A 17 -10.119 -13.236 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.033 -15.548 -1.012 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.865 -14.599 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.338 -13.816 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.587 -15.548 -1.771 1.00 0.00 H new ATOM 272 N LYS A 18 -6.510 -13.296 1.230 1.00 0.00 N ATOM 273 CA LYS A 18 -5.443 -12.363 1.420 1.00 0.00 C ATOM 274 C LYS A 18 -4.749 -11.888 0.189 1.00 0.00 C ATOM 275 O LYS A 18 -4.770 -12.606 -0.809 1.00 0.00 O ATOM 276 CB LYS A 18 -4.410 -12.975 2.382 1.00 0.00 C ATOM 277 CG LYS A 18 -4.881 -13.051 3.835 1.00 0.00 C ATOM 278 CD LYS A 18 -3.830 -13.692 4.745 1.00 0.00 C ATOM 279 CE LYS A 18 -4.067 -13.498 6.243 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.723 -12.118 6.652 1.00 0.00 N ATOM 0 H LYS A 18 -6.363 -14.152 1.765 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.920 -11.471 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.160 -13.979 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.494 -12.386 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.109 -12.048 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.805 -13.626 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.792 -14.761 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.853 -13.282 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.111 -13.704 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.465 -14.211 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.363 -11.812 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.741 -12.092 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.823 -11.479 5.837 1.00 0.00 H new ATOM 294 N PRO A 19 -4.103 -10.761 0.165 1.00 0.00 N ATOM 295 CA PRO A 19 -3.546 -10.179 -1.021 1.00 0.00 C ATOM 296 C PRO A 19 -2.586 -11.033 -1.776 1.00 0.00 C ATOM 297 O PRO A 19 -1.737 -11.682 -1.166 1.00 0.00 O ATOM 298 CB PRO A 19 -2.810 -8.938 -0.521 1.00 0.00 C ATOM 299 CG PRO A 19 -3.714 -8.448 0.621 1.00 0.00 C ATOM 300 CD PRO A 19 -4.166 -9.780 1.238 1.00 0.00 C ATOM 0 HA PRO A 19 -4.353 -9.997 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.806 -9.176 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.703 -8.187 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.174 -7.826 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.554 -7.858 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.518 -10.066 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.178 -9.702 1.637 1.00 0.00 H new ATOM 308 N SER A 20 -2.678 -11.082 -3.117 1.00 0.00 N ATOM 309 CA SER A 20 -1.867 -11.906 -3.958 1.00 0.00 C ATOM 310 C SER A 20 -0.519 -11.308 -4.175 1.00 0.00 C ATOM 311 O SER A 20 -0.412 -10.102 -4.397 1.00 0.00 O ATOM 312 CB SER A 20 -2.444 -12.128 -5.366 1.00 0.00 C ATOM 313 OG SER A 20 -3.819 -12.479 -5.331 1.00 0.00 O ATOM 0 H SER A 20 -3.350 -10.520 -3.639 1.00 0.00 H new ATOM 0 HA SER A 20 -1.824 -12.853 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.317 -11.221 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.882 -12.916 -5.867 1.00 0.00 H new ATOM 0 HG SER A 20 -4.354 -11.685 -5.123 1.00 0.00 H new ATOM 319 N THR A 21 0.559 -12.110 -4.160 1.00 0.00 N ATOM 320 CA THR A 21 1.939 -11.741 -4.096 1.00 0.00 C ATOM 321 C THR A 21 2.403 -10.623 -4.965 1.00 0.00 C ATOM 322 O THR A 21 3.079 -9.711 -4.489 1.00 0.00 O ATOM 323 CB THR A 21 2.830 -12.932 -4.293 1.00 0.00 C ATOM 324 OG1 THR A 21 2.447 -13.968 -3.400 1.00 0.00 O ATOM 325 CG2 THR A 21 4.303 -12.633 -3.965 1.00 0.00 C ATOM 0 H THR A 21 0.450 -13.123 -4.197 1.00 0.00 H new ATOM 0 HA THR A 21 2.019 -11.340 -3.086 1.00 0.00 H new ATOM 0 HB THR A 21 2.729 -13.211 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.029 -14.745 -3.532 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.901 -13.530 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.665 -11.835 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.388 -12.322 -2.924 1.00 0.00 H new ATOM 333 N ASP A 22 2.062 -10.614 -6.266 1.00 0.00 N ATOM 334 CA ASP A 22 2.437 -9.583 -7.182 1.00 0.00 C ATOM 335 C ASP A 22 1.543 -8.391 -7.162 1.00 0.00 C ATOM 336 O ASP A 22 1.965 -7.275 -7.460 1.00 0.00 O ATOM 337 CB ASP A 22 2.478 -10.149 -8.612 1.00 0.00 C ATOM 338 CG ASP A 22 3.508 -11.265 -8.721 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.724 -10.984 -8.549 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.108 -12.428 -8.989 1.00 0.00 O ATOM 0 H ASP A 22 1.504 -11.352 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 22 3.421 -9.242 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.494 -10.528 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.721 -9.353 -9.316 1.00 0.00 H new ATOM 345 N GLU A 23 0.262 -8.562 -6.792 1.00 0.00 N ATOM 346 CA GLU A 23 -0.726 -7.532 -6.709 1.00 0.00 C ATOM 347 C GLU A 23 -0.527 -6.713 -5.480 1.00 0.00 C ATOM 348 O GLU A 23 -0.713 -5.496 -5.472 1.00 0.00 O ATOM 349 CB GLU A 23 -2.142 -8.132 -6.684 1.00 0.00 C ATOM 350 CG GLU A 23 -2.524 -9.012 -7.875 1.00 0.00 C ATOM 351 CD GLU A 23 -2.831 -8.242 -9.152 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.771 -7.404 -9.147 1.00 0.00 O ATOM 353 OE2 GLU A 23 -2.170 -8.495 -10.195 1.00 0.00 O ATOM 0 H GLU A 23 -0.106 -9.478 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.618 -6.900 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.248 -8.723 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.859 -7.314 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.710 -9.709 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.396 -9.608 -7.606 1.00 0.00 H new ATOM 360 N LEU A 24 -0.086 -7.356 -4.385 1.00 0.00 N ATOM 361 CA LEU A 24 0.305 -6.820 -3.118 1.00 0.00 C ATOM 362 C LEU A 24 1.313 -5.727 -3.220 1.00 0.00 C ATOM 363 O LEU A 24 1.271 -4.749 -2.474 1.00 0.00 O ATOM 364 CB LEU A 24 0.852 -8.024 -2.331 1.00 0.00 C ATOM 365 CG LEU A 24 1.065 -7.907 -0.812 1.00 0.00 C ATOM 366 CD1 LEU A 24 1.120 -9.344 -0.268 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.360 -7.171 -0.430 1.00 0.00 C ATOM 0 H LEU A 24 0.006 -8.372 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.543 -6.346 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.174 -8.860 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.810 -8.295 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 24 0.250 -7.321 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.271 -9.319 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.183 -9.854 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.946 -9.879 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.446 -7.125 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.217 -7.706 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.337 -6.159 -0.835 1.00 0.00 H new ATOM 379 N LEU A 25 2.241 -5.817 -4.190 1.00 0.00 N ATOM 380 CA LEU A 25 3.238 -4.836 -4.484 1.00 0.00 C ATOM 381 C LEU A 25 2.694 -3.530 -4.952 1.00 0.00 C ATOM 382 O LEU A 25 3.070 -2.463 -4.469 1.00 0.00 O ATOM 383 CB LEU A 25 4.157 -5.399 -5.580 1.00 0.00 C ATOM 384 CG LEU A 25 4.848 -6.717 -5.191 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.721 -7.207 -6.359 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.665 -6.575 -3.896 1.00 0.00 C ATOM 0 H LEU A 25 2.297 -6.627 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 25 3.766 -4.636 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.572 -5.559 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.918 -4.657 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 25 4.079 -7.463 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.210 -8.141 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.096 -7.372 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.477 -6.456 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.137 -7.528 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.433 -5.814 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.005 -6.282 -3.080 1.00 0.00 H new ATOM 398 N GLU A 26 1.748 -3.578 -5.906 1.00 0.00 N ATOM 399 CA GLU A 26 1.025 -2.432 -6.365 1.00 0.00 C ATOM 400 C GLU A 26 0.179 -1.828 -5.298 1.00 0.00 C ATOM 401 O GLU A 26 0.166 -0.620 -5.067 1.00 0.00 O ATOM 402 CB GLU A 26 0.122 -2.786 -7.559 1.00 0.00 C ATOM 403 CG GLU A 26 0.841 -3.514 -8.696 1.00 0.00 C ATOM 404 CD GLU A 26 -0.083 -3.652 -9.898 1.00 0.00 C ATOM 405 OE1 GLU A 26 -0.276 -2.649 -10.636 1.00 0.00 O ATOM 406 OE2 GLU A 26 -0.647 -4.759 -10.110 1.00 0.00 O ATOM 0 H GLU A 26 1.477 -4.443 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 26 1.779 -1.706 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.700 -3.409 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.319 -1.869 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.739 -2.965 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.163 -4.500 -8.360 1.00 0.00 H new ATOM 413 N LEU A 27 -0.544 -2.686 -4.556 1.00 0.00 N ATOM 414 CA LEU A 27 -1.408 -2.377 -3.460 1.00 0.00 C ATOM 415 C LEU A 27 -0.694 -1.700 -2.341 1.00 0.00 C ATOM 416 O LEU A 27 -1.157 -0.672 -1.849 1.00 0.00 O ATOM 417 CB LEU A 27 -2.124 -3.683 -3.078 1.00 0.00 C ATOM 418 CG LEU A 27 -3.220 -3.662 -1.999 1.00 0.00 C ATOM 419 CD1 LEU A 27 -2.627 -3.888 -0.598 1.00 0.00 C ATOM 420 CD2 LEU A 27 -4.110 -2.410 -2.061 1.00 0.00 C ATOM 0 H LEU A 27 -0.520 -3.688 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.157 -1.637 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.569 -4.089 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.361 -4.390 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.884 -4.499 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.426 -3.868 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.127 -4.856 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.907 -3.100 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.862 -2.459 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.496 -1.520 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.604 -2.363 -3.031 1.00 0.00 H new ATOM 432 N TYR A 28 0.494 -2.194 -1.949 1.00 0.00 N ATOM 433 CA TYR A 28 1.443 -1.594 -1.064 1.00 0.00 C ATOM 434 C TYR A 28 1.726 -0.175 -1.416 1.00 0.00 C ATOM 435 O TYR A 28 1.540 0.708 -0.581 1.00 0.00 O ATOM 436 CB TYR A 28 2.748 -2.406 -1.023 1.00 0.00 C ATOM 437 CG TYR A 28 3.859 -1.836 -0.211 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.680 -0.870 -0.744 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.097 -2.267 1.074 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.679 -0.289 0.002 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.140 -1.747 1.804 1.00 0.00 C ATOM 442 CZ TYR A 28 5.924 -0.751 1.274 1.00 0.00 C ATOM 443 OH TYR A 28 6.950 -0.172 2.051 1.00 0.00 O ATOM 0 H TYR A 28 0.819 -3.101 -2.285 1.00 0.00 H new ATOM 0 HA TYR A 28 0.994 -1.600 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.520 -3.400 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.103 -2.533 -2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.537 -0.561 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.459 -3.020 1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.265 0.521 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.343 -2.122 2.796 1.00 0.00 H new ATOM 0 HH TYR A 28 6.937 0.801 1.936 1.00 0.00 H new ATOM 453 N ALA A 29 2.174 0.102 -2.654 1.00 0.00 N ATOM 454 CA ALA A 29 2.577 1.398 -3.103 1.00 0.00 C ATOM 455 C ALA A 29 1.576 2.471 -2.842 1.00 0.00 C ATOM 456 O ALA A 29 1.902 3.522 -2.293 1.00 0.00 O ATOM 457 CB ALA A 29 2.926 1.334 -4.599 1.00 0.00 C ATOM 0 H ALA A 29 2.259 -0.613 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 29 3.455 1.674 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.234 2.321 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.740 0.626 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.052 1.009 -5.163 1.00 0.00 H new ATOM 463 N LEU A 30 0.301 2.220 -3.190 1.00 0.00 N ATOM 464 CA LEU A 30 -0.749 3.177 -3.022 1.00 0.00 C ATOM 465 C LEU A 30 -1.229 3.300 -1.617 1.00 0.00 C ATOM 466 O LEU A 30 -1.483 4.391 -1.110 1.00 0.00 O ATOM 467 CB LEU A 30 -1.927 2.823 -3.945 1.00 0.00 C ATOM 468 CG LEU A 30 -1.735 3.174 -5.430 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.684 4.695 -5.657 1.00 0.00 C ATOM 470 CD2 LEU A 30 -0.596 2.464 -6.182 1.00 0.00 C ATOM 0 H LEU A 30 -0.007 1.336 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.328 4.146 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.120 1.753 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.818 3.335 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.634 2.760 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.547 4.900 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.617 5.145 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.851 5.119 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.575 2.805 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.356 2.696 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.760 1.387 -6.158 1.00 0.00 H new ATOM 482 N TYR A 31 -1.329 2.158 -0.914 1.00 0.00 N ATOM 483 CA TYR A 31 -1.673 2.056 0.471 1.00 0.00 C ATOM 484 C TYR A 31 -0.727 2.821 1.333 1.00 0.00 C ATOM 485 O TYR A 31 -1.117 3.709 2.088 1.00 0.00 O ATOM 486 CB TYR A 31 -1.728 0.583 0.908 1.00 0.00 C ATOM 487 CG TYR A 31 -2.011 0.437 2.364 1.00 0.00 C ATOM 488 CD1 TYR A 31 -3.012 1.148 2.985 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.153 -0.321 3.124 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.202 1.049 4.342 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.310 -0.389 4.489 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.339 0.290 5.098 1.00 0.00 C ATOM 493 OH TYR A 31 -2.448 0.278 6.505 1.00 0.00 O ATOM 0 H TYR A 31 -1.159 1.247 -1.341 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.662 2.497 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.498 0.065 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.779 0.101 0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.654 1.790 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.352 -0.866 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.025 1.565 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.625 -0.976 5.083 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.761 -0.311 6.881 1.00 0.00 H new ATOM 503 N LYS A 32 0.582 2.525 1.252 1.00 0.00 N ATOM 504 CA LYS A 32 1.613 3.236 1.942 1.00 0.00 C ATOM 505 C LYS A 32 1.672 4.677 1.565 1.00 0.00 C ATOM 506 O LYS A 32 1.874 5.513 2.444 1.00 0.00 O ATOM 507 CB LYS A 32 2.984 2.556 1.786 1.00 0.00 C ATOM 508 CG LYS A 32 3.052 1.117 2.303 1.00 0.00 C ATOM 509 CD LYS A 32 2.598 0.857 3.740 1.00 0.00 C ATOM 510 CE LYS A 32 3.323 1.707 4.788 1.00 0.00 C ATOM 511 NZ LYS A 32 3.043 1.189 6.146 1.00 0.00 N ATOM 0 H LYS A 32 0.937 1.758 0.682 1.00 0.00 H new ATOM 0 HA LYS A 32 1.348 3.201 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.258 2.561 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.731 3.151 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.449 0.494 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.083 0.775 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.527 1.047 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.751 -0.197 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.396 1.693 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.999 2.745 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.539 1.773 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.019 1.225 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.373 0.205 6.217 1.00 0.00 H new ATOM 525 N GLN A 33 1.410 5.014 0.290 1.00 0.00 N ATOM 526 CA GLN A 33 1.312 6.359 -0.184 1.00 0.00 C ATOM 527 C GLN A 33 0.413 7.246 0.608 1.00 0.00 C ATOM 528 O GLN A 33 0.909 8.179 1.238 1.00 0.00 O ATOM 529 CB GLN A 33 0.829 6.403 -1.644 1.00 0.00 C ATOM 530 CG GLN A 33 1.902 6.786 -2.665 1.00 0.00 C ATOM 531 CD GLN A 33 1.333 6.560 -4.058 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.563 7.362 -4.586 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.683 5.392 -4.658 1.00 0.00 N ATOM 0 H GLN A 33 1.260 4.319 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 33 2.328 6.739 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.429 5.424 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.007 7.115 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.193 7.829 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.799 6.184 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.324 4.751 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.305 5.157 -5.576 1.00 0.00 H new ATOM 542 N ALA A 34 -0.900 6.975 0.708 1.00 0.00 N ATOM 543 CA ALA A 34 -1.728 7.867 1.459 1.00 0.00 C ATOM 544 C ALA A 34 -1.810 7.510 2.903 1.00 0.00 C ATOM 545 O ALA A 34 -2.267 8.324 3.704 1.00 0.00 O ATOM 546 CB ALA A 34 -3.118 8.139 0.860 1.00 0.00 C ATOM 0 H ALA A 34 -1.374 6.175 0.289 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.201 8.818 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.664 8.827 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.007 8.581 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.669 7.202 0.779 1.00 0.00 H new ATOM 552 N THR A 35 -1.309 6.336 3.328 1.00 0.00 N ATOM 553 CA THR A 35 -1.117 6.057 4.718 1.00 0.00 C ATOM 554 C THR A 35 -0.166 6.999 5.373 1.00 0.00 C ATOM 555 O THR A 35 -0.567 7.770 6.242 1.00 0.00 O ATOM 556 CB THR A 35 -0.692 4.646 4.999 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.749 3.757 4.668 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.454 4.430 6.502 1.00 0.00 C ATOM 0 H THR A 35 -1.035 5.576 2.705 1.00 0.00 H new ATOM 0 HA THR A 35 -2.107 6.200 5.151 1.00 0.00 H new ATOM 0 HB THR A 35 0.214 4.465 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.656 3.472 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.147 3.399 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.329 5.105 6.847 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.375 4.632 7.049 1.00 0.00 H new ATOM 566 N VAL A 36 1.137 6.976 5.040 1.00 0.00 N ATOM 567 CA VAL A 36 2.089 7.856 5.644 1.00 0.00 C ATOM 568 C VAL A 36 2.231 9.175 4.964 1.00 0.00 C ATOM 569 O VAL A 36 2.483 10.184 5.620 1.00 0.00 O ATOM 570 CB VAL A 36 3.403 7.205 5.957 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.138 5.934 6.780 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.176 6.824 4.683 1.00 0.00 C ATOM 0 H VAL A 36 1.534 6.342 4.346 1.00 0.00 H new ATOM 0 HA VAL A 36 1.647 8.094 6.612 1.00 0.00 H new ATOM 0 HB VAL A 36 4.011 7.917 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.085 5.449 7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.626 6.200 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.514 5.251 6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.121 6.356 4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.583 6.126 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.372 7.720 4.095 1.00 0.00 H new ATOM 582 N GLY A 37 2.068 9.247 3.632 1.00 0.00 N ATOM 583 CA GLY A 37 2.016 10.471 2.893 1.00 0.00 C ATOM 584 C GLY A 37 3.151 10.719 1.960 1.00 0.00 C ATOM 585 O GLY A 37 2.941 11.287 0.889 1.00 0.00 O ATOM 0 H GLY A 37 1.968 8.419 3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.090 10.487 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.966 11.298 3.601 1.00 0.00 H new ATOM 589 N ASP A 38 4.389 10.342 2.325 1.00 0.00 N ATOM 590 CA ASP A 38 5.555 10.527 1.520 1.00 0.00 C ATOM 591 C ASP A 38 6.128 9.186 1.212 1.00 0.00 C ATOM 592 O ASP A 38 5.748 8.203 1.844 1.00 0.00 O ATOM 593 CB ASP A 38 6.636 11.295 2.299 1.00 0.00 C ATOM 594 CG ASP A 38 6.100 12.566 2.943 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.779 13.542 2.213 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.041 12.614 4.201 1.00 0.00 O ATOM 0 H ASP A 38 4.585 9.890 3.218 1.00 0.00 H new ATOM 0 HA ASP A 38 5.273 11.078 0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.051 10.648 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.453 11.550 1.624 1.00 0.00 H new ATOM 601 N ASN A 39 7.130 9.071 0.322 1.00 0.00 N ATOM 602 CA ASN A 39 8.026 7.959 0.384 1.00 0.00 C ATOM 603 C ASN A 39 8.877 7.956 1.607 1.00 0.00 C ATOM 604 O ASN A 39 9.980 8.499 1.647 1.00 0.00 O ATOM 605 CB ASN A 39 8.881 7.786 -0.883 1.00 0.00 C ATOM 606 CG ASN A 39 9.856 8.926 -1.140 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.610 10.103 -0.883 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.045 8.576 -1.701 1.00 0.00 N ATOM 0 H ASN A 39 7.318 9.736 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 39 7.371 7.090 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.442 6.854 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.219 7.688 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.740 9.292 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.241 7.597 -1.911 1.00 0.00 H new ATOM 615 N ASP A 40 8.394 7.362 2.712 1.00 0.00 N ATOM 616 CA ASP A 40 8.940 7.627 4.006 1.00 0.00 C ATOM 617 C ASP A 40 10.190 6.881 4.327 1.00 0.00 C ATOM 618 O ASP A 40 11.225 7.479 4.621 1.00 0.00 O ATOM 619 CB ASP A 40 7.833 7.434 5.056 1.00 0.00 C ATOM 620 CG ASP A 40 8.259 8.101 6.356 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.371 9.356 6.386 1.00 0.00 O ATOM 622 OD2 ASP A 40 8.537 7.363 7.338 1.00 0.00 O ATOM 0 H ASP A 40 7.622 6.695 2.709 1.00 0.00 H new ATOM 0 HA ASP A 40 9.276 8.664 4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.898 7.866 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.651 6.372 5.220 1.00 0.00 H new ATOM 627 N LYS A 41 10.171 5.536 4.311 1.00 0.00 N ATOM 628 CA LYS A 41 11.273 4.750 4.773 1.00 0.00 C ATOM 629 C LYS A 41 12.304 4.515 3.723 1.00 0.00 C ATOM 630 O LYS A 41 12.350 3.447 3.113 1.00 0.00 O ATOM 631 CB LYS A 41 10.807 3.364 5.250 1.00 0.00 C ATOM 632 CG LYS A 41 9.948 3.400 6.517 1.00 0.00 C ATOM 633 CD LYS A 41 8.483 3.007 6.315 1.00 0.00 C ATOM 634 CE LYS A 41 8.235 1.630 5.698 1.00 0.00 C ATOM 635 NZ LYS A 41 8.789 0.540 6.533 1.00 0.00 N ATOM 0 H LYS A 41 9.381 4.987 3.973 1.00 0.00 H new ATOM 0 HA LYS A 41 11.707 5.329 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.239 2.888 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.682 2.741 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.389 2.732 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.985 4.406 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.981 3.045 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.011 3.757 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.163 1.478 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.685 1.591 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.599 -0.376 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.816 0.669 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.342 0.560 7.472 1.00 0.00 H new ATOM 649 N GLU A 42 13.228 5.472 3.524 1.00 0.00 N ATOM 650 CA GLU A 42 14.305 5.417 2.584 1.00 0.00 C ATOM 651 C GLU A 42 15.395 4.477 2.966 1.00 0.00 C ATOM 652 O GLU A 42 16.594 4.718 2.837 1.00 0.00 O ATOM 653 CB GLU A 42 14.812 6.853 2.371 1.00 0.00 C ATOM 654 CG GLU A 42 15.638 7.074 1.103 1.00 0.00 C ATOM 655 CD GLU A 42 16.359 8.415 1.116 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.679 9.468 1.236 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.615 8.440 1.011 1.00 0.00 O ATOM 0 H GLU A 42 13.222 6.342 4.056 1.00 0.00 H new ATOM 0 HA GLU A 42 13.932 5.005 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.953 7.524 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.416 7.139 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.368 6.271 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.985 7.022 0.232 1.00 0.00 H new ATOM 664 N LYS A 43 14.993 3.290 3.456 1.00 0.00 N ATOM 665 CA LYS A 43 15.817 2.172 3.796 1.00 0.00 C ATOM 666 C LYS A 43 14.968 0.948 3.827 1.00 0.00 C ATOM 667 O LYS A 43 14.518 0.548 4.900 1.00 0.00 O ATOM 668 CB LYS A 43 16.524 2.379 5.146 1.00 0.00 C ATOM 669 CG LYS A 43 17.542 1.287 5.485 1.00 0.00 C ATOM 670 CD LYS A 43 18.036 1.376 6.930 1.00 0.00 C ATOM 671 CE LYS A 43 18.994 2.539 7.198 1.00 0.00 C ATOM 672 NZ LYS A 43 19.330 2.580 8.638 1.00 0.00 N ATOM 0 H LYS A 43 14.006 3.099 3.628 1.00 0.00 H new ATOM 0 HA LYS A 43 16.598 2.064 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.030 3.344 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.774 2.421 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.090 0.309 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.393 1.365 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 17.174 1.471 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 43 18.535 0.442 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.901 2.421 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.535 3.480 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.981 3.370 8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.461 2.712 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.785 1.686 8.914 1.00 0.00 H new ATOM 878 N TRP A 55 9.280 -0.868 -1.986 1.00 0.00 N ATOM 879 CA TRP A 55 9.670 0.490 -1.763 1.00 0.00 C ATOM 880 C TRP A 55 9.943 1.238 -3.023 1.00 0.00 C ATOM 881 O TRP A 55 9.688 2.437 -3.119 1.00 0.00 O ATOM 882 CB TRP A 55 10.832 0.560 -0.759 1.00 0.00 C ATOM 883 CG TRP A 55 10.769 1.808 0.088 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.027 2.053 1.207 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.363 3.067 -0.282 1.00 0.00 C ATOM 886 NE1 TRP A 55 9.965 3.400 1.446 1.00 0.00 N ATOM 887 CE2 TRP A 55 10.833 4.030 0.585 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.255 3.411 -1.261 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.220 5.338 0.489 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.664 4.722 -1.320 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.165 5.667 -0.455 1.00 0.00 C ATOM 0 HA TRP A 55 8.818 1.004 -1.318 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.808 -0.318 -0.114 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.779 0.534 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.557 1.295 1.816 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.377 3.857 2.142 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.625 2.678 -1.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.796 6.091 1.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.392 5.016 -2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.521 6.685 -0.518 1.00 0.00 H new ATOM 902 N GLU A 56 10.391 0.561 -4.096 1.00 0.00 N ATOM 903 CA GLU A 56 10.628 1.160 -5.372 1.00 0.00 C ATOM 904 C GLU A 56 9.366 1.518 -6.079 1.00 0.00 C ATOM 905 O GLU A 56 9.251 2.569 -6.708 1.00 0.00 O ATOM 906 CB GLU A 56 11.448 0.215 -6.267 1.00 0.00 C ATOM 907 CG GLU A 56 11.812 0.833 -7.619 1.00 0.00 C ATOM 908 CD GLU A 56 12.729 -0.049 -8.455 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.839 -0.411 -7.979 1.00 0.00 O ATOM 910 OE2 GLU A 56 12.369 -0.316 -9.632 1.00 0.00 O ATOM 0 H GLU A 56 10.595 -0.438 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 56 11.183 2.079 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.363 -0.067 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.881 -0.701 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.898 1.029 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.297 1.795 -7.453 1.00 0.00 H new ATOM 917 N ALA A 57 8.332 0.666 -5.963 1.00 0.00 N ATOM 918 CA ALA A 57 7.030 0.924 -6.498 1.00 0.00 C ATOM 919 C ALA A 57 6.351 2.059 -5.814 1.00 0.00 C ATOM 920 O ALA A 57 5.503 2.751 -6.377 1.00 0.00 O ATOM 921 CB ALA A 57 6.175 -0.349 -6.378 1.00 0.00 C ATOM 0 H ALA A 57 8.403 -0.231 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 57 7.147 1.206 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.181 -0.159 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.647 -1.158 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.090 -0.633 -5.329 1.00 0.00 H new ATOM 927 N TRP A 58 6.750 2.323 -4.556 1.00 0.00 N ATOM 928 CA TRP A 58 6.254 3.366 -3.712 1.00 0.00 C ATOM 929 C TRP A 58 6.920 4.662 -4.023 1.00 0.00 C ATOM 930 O TRP A 58 6.267 5.688 -4.204 1.00 0.00 O ATOM 931 CB TRP A 58 6.447 2.950 -2.244 1.00 0.00 C ATOM 932 CG TRP A 58 5.806 3.865 -1.227 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.864 4.831 -1.432 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.086 3.854 0.185 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.605 5.493 -0.260 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.345 4.905 0.738 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.864 3.044 0.966 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.416 5.157 2.081 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.834 3.249 2.326 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.144 4.303 2.876 1.00 0.00 C ATOM 0 H TRP A 58 7.471 1.767 -4.097 1.00 0.00 H new ATOM 0 HA TRP A 58 5.190 3.516 -3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.043 1.946 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.516 2.894 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.391 5.043 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 58 3.972 6.285 -0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.480 2.271 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.910 6.010 2.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.364 2.568 2.975 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.174 4.462 3.944 1.00 0.00 H new ATOM 951 N GLU A 59 8.258 4.656 -4.160 1.00 0.00 N ATOM 952 CA GLU A 59 9.100 5.740 -4.563 1.00 0.00 C ATOM 953 C GLU A 59 8.748 6.311 -5.892 1.00 0.00 C ATOM 954 O GLU A 59 8.960 7.494 -6.159 1.00 0.00 O ATOM 955 CB GLU A 59 10.575 5.301 -4.576 1.00 0.00 C ATOM 956 CG GLU A 59 11.565 6.457 -4.729 1.00 0.00 C ATOM 957 CD GLU A 59 12.994 5.985 -4.950 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.238 5.261 -5.953 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.897 6.397 -4.173 1.00 0.00 O ATOM 0 H GLU A 59 8.799 3.812 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 59 8.941 6.526 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.794 4.769 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.727 4.595 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.260 7.082 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.528 7.082 -3.837 1.00 0.00 H new ATOM 966 N ASN A 60 8.090 5.541 -6.778 1.00 0.00 N ATOM 967 CA ASN A 60 7.487 6.026 -7.981 1.00 0.00 C ATOM 968 C ASN A 60 6.606 7.204 -7.750 1.00 0.00 C ATOM 969 O ASN A 60 6.652 8.184 -8.492 1.00 0.00 O ATOM 970 CB ASN A 60 6.741 4.858 -8.650 1.00 0.00 C ATOM 971 CG ASN A 60 6.489 5.073 -10.136 1.00 0.00 C ATOM 972 OD1 ASN A 60 6.377 6.190 -10.638 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.398 3.958 -10.908 1.00 0.00 N ATOM 0 H ASN A 60 7.973 4.536 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 60 8.267 6.391 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.318 3.943 -8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.787 4.709 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.236 4.044 -11.911 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.492 3.035 -10.484 1.00 0.00 H new ATOM 980 N LEU A 61 5.805 7.186 -6.670 1.00 0.00 N ATOM 981 CA LEU A 61 4.941 8.267 -6.306 1.00 0.00 C ATOM 982 C LEU A 61 5.306 8.860 -4.989 1.00 0.00 C ATOM 983 O LEU A 61 4.480 9.189 -4.140 1.00 0.00 O ATOM 984 CB LEU A 61 3.454 7.876 -6.349 1.00 0.00 C ATOM 985 CG LEU A 61 2.801 8.003 -7.735 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.327 6.971 -8.747 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.276 7.861 -7.585 1.00 0.00 C ATOM 0 H LEU A 61 5.757 6.394 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 61 5.089 9.037 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.352 6.846 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.906 8.502 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 61 3.061 8.985 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.827 7.113 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.401 7.102 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.126 5.965 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.804 7.950 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.042 6.887 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.900 8.646 -6.929 1.00 0.00 H new ATOM 999 N LYS A 62 6.622 9.039 -4.779 1.00 0.00 N ATOM 1000 CA LYS A 62 7.262 9.706 -3.687 1.00 0.00 C ATOM 1001 C LYS A 62 6.773 11.010 -3.154 1.00 0.00 C ATOM 1002 O LYS A 62 6.797 11.205 -1.941 1.00 0.00 O ATOM 1003 CB LYS A 62 8.745 9.873 -4.058 1.00 0.00 C ATOM 1004 CG LYS A 62 9.042 10.641 -5.348 1.00 0.00 C ATOM 1005 CD LYS A 62 10.468 10.327 -5.806 1.00 0.00 C ATOM 1006 CE LYS A 62 11.041 11.357 -6.780 1.00 0.00 C ATOM 1007 NZ LYS A 62 12.468 11.063 -7.033 1.00 0.00 N ATOM 0 H LYS A 62 7.306 8.679 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 62 7.019 9.043 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.248 10.381 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.190 8.881 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.329 10.362 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.929 11.712 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.116 10.267 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.480 9.346 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.484 11.336 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.934 12.360 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.855 11.765 -7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.995 11.105 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.559 10.112 -7.444 1.00 0.00 H new ATOM 1021 N GLY A 63 6.377 11.948 -4.033 1.00 0.00 N ATOM 1022 CA GLY A 63 6.103 13.306 -3.674 1.00 0.00 C ATOM 1023 C GLY A 63 4.669 13.670 -3.857 1.00 0.00 C ATOM 1024 O GLY A 63 4.085 14.369 -3.031 1.00 0.00 O ATOM 0 H GLY A 63 6.243 11.756 -5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.385 13.467 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.722 13.969 -4.278 1.00 0.00 H new ATOM 1028 N LYS A 64 4.039 13.212 -4.954 1.00 0.00 N ATOM 1029 CA LYS A 64 2.673 13.536 -5.227 1.00 0.00 C ATOM 1030 C LYS A 64 1.862 12.297 -5.069 1.00 0.00 C ATOM 1031 O LYS A 64 1.369 11.653 -5.995 1.00 0.00 O ATOM 1032 CB LYS A 64 2.460 14.231 -6.582 1.00 0.00 C ATOM 1033 CG LYS A 64 2.677 15.737 -6.426 1.00 0.00 C ATOM 1034 CD LYS A 64 2.512 16.519 -7.731 1.00 0.00 C ATOM 1035 CE LYS A 64 3.570 16.248 -8.803 1.00 0.00 C ATOM 1036 NZ LYS A 64 4.882 16.827 -8.436 1.00 0.00 N ATOM 0 H LYS A 64 4.478 12.615 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 64 2.338 14.283 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.152 13.828 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.452 14.035 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.972 16.123 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.678 15.912 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.531 16.291 -8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.520 17.584 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.674 15.173 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.240 16.667 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.573 16.623 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.788 17.856 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.208 16.409 -7.541 1.00 0.00 H new ATOM 1050 N SER A 65 1.739 11.960 -3.772 1.00 0.00 N ATOM 1051 CA SER A 65 1.001 10.857 -3.242 1.00 0.00 C ATOM 1052 C SER A 65 -0.426 11.218 -3.010 1.00 0.00 C ATOM 1053 O SER A 65 -1.314 10.659 -3.651 1.00 0.00 O ATOM 1054 CB SER A 65 1.662 10.475 -1.906 1.00 0.00 C ATOM 1055 OG SER A 65 0.866 9.607 -1.113 1.00 0.00 O ATOM 0 H SER A 65 2.193 12.504 -3.038 1.00 0.00 H new ATOM 0 HA SER A 65 1.014 10.028 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.620 9.996 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.872 11.383 -1.340 1.00 0.00 H new ATOM 0 HG SER A 65 1.294 9.475 -0.241 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.720 12.146 -2.082 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.963 12.129 -1.375 1.00 0.00 C ATOM 1063 C GLN A 66 -3.142 12.580 -2.167 1.00 0.00 C ATOM 1064 O GLN A 66 -4.288 12.414 -1.753 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.786 12.947 -0.085 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.449 12.010 1.077 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.416 12.712 2.427 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.717 13.892 2.599 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.037 11.917 3.464 1.00 0.00 N ATOM 0 H GLN A 66 -0.096 12.909 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.200 11.090 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.991 13.682 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.699 13.501 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.184 11.206 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.479 11.547 0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.792 10.941 3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.998 12.297 4.410 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.878 13.155 -3.354 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.820 13.496 -4.374 1.00 0.00 C ATOM 1080 C GLU A 67 -4.006 12.435 -5.404 1.00 0.00 C ATOM 1081 O GLU A 67 -5.057 12.383 -6.041 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.447 14.840 -5.024 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.156 14.862 -5.843 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.101 16.148 -6.656 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -1.884 17.245 -6.075 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.325 16.074 -7.894 1.00 0.00 O ATOM 0 H GLU A 67 -1.925 13.401 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.785 13.592 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.268 15.146 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.366 15.590 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.291 14.798 -5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.116 13.997 -6.505 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.019 11.559 -5.665 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.165 10.502 -6.616 1.00 0.00 C ATOM 1095 C ASP A 68 -3.620 9.248 -5.950 1.00 0.00 C ATOM 1096 O ASP A 68 -4.574 8.618 -6.401 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.827 10.247 -7.330 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.779 11.079 -8.603 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -1.350 12.264 -8.573 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -2.154 10.539 -9.678 1.00 0.00 O ATOM 0 H ASP A 68 -2.107 11.585 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.917 10.803 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.995 10.510 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.723 9.188 -7.568 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.965 8.878 -4.835 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.137 7.690 -4.059 1.00 0.00 C ATOM 1107 C ALA A 69 -4.564 7.320 -3.839 1.00 0.00 C ATOM 1108 O ALA A 69 -5.027 6.286 -4.321 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.413 7.884 -2.717 1.00 0.00 C ATOM 0 H ALA A 69 -2.240 9.476 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.708 6.859 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.531 6.988 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.353 8.063 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.841 8.739 -2.193 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.322 8.231 -3.204 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.747 8.201 -3.084 1.00 0.00 C ATOM 1117 C GLU A 70 -7.558 7.791 -4.264 1.00 0.00 C ATOM 1118 O GLU A 70 -8.453 6.955 -4.144 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.232 9.571 -2.582 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.745 10.776 -3.388 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.629 12.007 -3.243 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.799 11.854 -2.802 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.201 13.134 -3.611 1.00 0.00 O ATOM 0 H GLU A 70 -4.911 9.043 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.921 7.387 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.322 9.573 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.912 9.694 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.732 11.028 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.692 10.500 -4.441 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.316 8.337 -5.469 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.091 8.141 -6.653 1.00 0.00 C ATOM 1132 C LYS A 71 -7.642 6.958 -7.440 1.00 0.00 C ATOM 1133 O LYS A 71 -8.426 6.291 -8.113 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.077 9.406 -7.529 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.970 10.515 -6.970 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.259 11.869 -6.909 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.117 12.996 -6.333 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.250 14.107 -5.880 1.00 0.00 N ATOM 0 H LYS A 71 -6.523 8.959 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.113 7.943 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.055 9.775 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.407 9.151 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.862 10.605 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.303 10.238 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.357 11.768 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.940 12.146 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.817 13.354 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.711 12.623 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.841 14.904 -5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.658 13.785 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.641 14.414 -6.665 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.343 6.617 -7.365 1.00 0.00 N ATOM 1153 CA GLU A 72 -5.803 5.422 -7.936 1.00 0.00 C ATOM 1154 C GLU A 72 -6.217 4.208 -7.177 1.00 0.00 C ATOM 1155 O GLU A 72 -6.357 3.130 -7.752 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.267 5.506 -7.967 1.00 0.00 C ATOM 1157 CG GLU A 72 -3.689 6.565 -8.907 1.00 0.00 C ATOM 1158 CD GLU A 72 -3.735 6.194 -10.383 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.776 5.681 -10.872 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -2.739 6.472 -11.102 1.00 0.00 O ATOM 0 H GLU A 72 -5.646 7.192 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.194 5.336 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.910 5.707 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.872 4.532 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.235 7.497 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.653 6.756 -8.626 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.443 4.348 -5.858 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.691 3.271 -4.951 1.00 0.00 C ATOM 1169 C TYR A 73 -8.024 2.630 -5.139 1.00 0.00 C ATOM 1170 O TYR A 73 -8.095 1.418 -5.335 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.604 3.723 -3.483 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.327 2.597 -2.550 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -5.127 1.937 -2.675 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.179 2.261 -1.523 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.738 0.999 -1.748 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.805 1.307 -0.606 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.587 0.679 -0.715 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.191 -0.326 0.194 1.00 0.00 O ATOM 0 H TYR A 73 -6.453 5.260 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.910 2.545 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.819 4.473 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.541 4.203 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.482 2.158 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.140 2.746 -1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.775 0.518 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.472 1.050 0.204 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.694 0.080 0.935 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.112 3.419 -5.119 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.443 2.985 -5.413 1.00 0.00 C ATOM 1190 C ILE A 74 -10.570 2.007 -6.530 1.00 0.00 C ATOM 1191 O ILE A 74 -11.154 0.935 -6.378 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.373 4.151 -5.572 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.850 3.761 -5.749 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.884 5.168 -6.618 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.353 3.513 -7.170 1.00 0.00 C ATOM 0 H ILE A 74 -9.061 4.411 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.747 2.413 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.342 4.667 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.030 2.857 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.460 4.550 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.598 5.989 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.911 5.558 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.796 4.679 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.410 3.247 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.223 4.417 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.786 2.698 -7.620 1.00 0.00 H new ATOM 1207 N ALA A 75 -9.963 2.297 -7.695 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.071 1.501 -8.878 1.00 0.00 C ATOM 1209 C ALA A 75 -9.332 0.208 -8.824 1.00 0.00 C ATOM 1210 O ALA A 75 -9.825 -0.798 -9.334 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.589 2.322 -10.085 1.00 0.00 C ATOM 0 H ALA A 75 -9.373 3.120 -7.817 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.124 1.236 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.669 1.720 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.206 3.215 -10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.550 2.614 -9.935 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.147 0.159 -8.191 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.446 -1.078 -8.032 1.00 0.00 C ATOM 1219 C LEU A 76 -8.050 -1.948 -6.984 1.00 0.00 C ATOM 1220 O LEU A 76 -8.315 -3.124 -7.231 1.00 0.00 O ATOM 1221 CB LEU A 76 -5.923 -0.932 -7.878 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.337 -0.178 -6.672 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.963 -1.129 -5.522 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.068 0.580 -7.095 1.00 0.00 C ATOM 0 H LEU A 76 -7.676 0.970 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.577 -1.594 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.501 -1.937 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.553 -0.441 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.107 0.511 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.553 -0.553 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.852 -1.664 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.218 -1.845 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.658 1.112 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.329 -0.128 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.316 1.295 -7.880 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.382 -1.398 -5.803 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.993 -2.071 -4.699 1.00 0.00 C ATOM 1238 C VAL A 77 -10.339 -2.597 -5.062 1.00 0.00 C ATOM 1239 O VAL A 77 -10.726 -3.658 -4.576 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.042 -1.216 -3.468 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -10.072 -1.700 -2.433 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.665 -1.336 -2.795 1.00 0.00 C ATOM 0 H VAL A 77 -8.211 -0.412 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.361 -2.925 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.314 -0.205 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.057 -1.038 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.067 -1.692 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.823 -2.714 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.648 -0.729 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.476 -2.378 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.893 -0.986 -3.481 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.090 -1.969 -5.984 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.309 -2.535 -6.472 1.00 0.00 C ATOM 1254 C ASP A 78 -12.112 -3.872 -7.099 1.00 0.00 C ATOM 1255 O ASP A 78 -12.870 -4.812 -6.867 1.00 0.00 O ATOM 1256 CB ASP A 78 -12.991 -1.614 -7.499 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.078 -0.697 -6.957 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -14.394 -0.716 -5.738 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.670 0.035 -7.794 1.00 0.00 O ATOM 0 H ASP A 78 -10.852 -1.065 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.945 -2.649 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.225 -0.998 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.425 -2.235 -8.282 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.041 -4.026 -7.898 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.667 -5.253 -8.530 1.00 0.00 C ATOM 1266 C GLN A 79 -10.058 -6.233 -7.588 1.00 0.00 C ATOM 1267 O GLN A 79 -10.167 -7.444 -7.778 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.690 -5.005 -9.690 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.172 -4.027 -10.764 1.00 0.00 C ATOM 1270 CD GLN A 79 -11.343 -4.537 -11.592 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -12.151 -5.379 -11.204 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -11.453 -3.999 -12.837 1.00 0.00 N ATOM 0 H GLN A 79 -10.406 -3.258 -8.113 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.595 -5.681 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.753 -4.631 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.470 -5.960 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.461 -3.092 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.341 -3.800 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.779 -3.301 -13.152 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.209 -4.294 -13.455 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.413 -5.759 -6.507 1.00 0.00 N ATOM 1282 CA LEU A 80 -8.888 -6.556 -5.442 1.00 0.00 C ATOM 1283 C LEU A 80 -9.998 -7.167 -4.658 1.00 0.00 C ATOM 1284 O LEU A 80 -10.053 -8.388 -4.518 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.894 -5.756 -4.585 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.641 -5.274 -5.338 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.636 -4.671 -4.343 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.941 -6.337 -6.203 1.00 0.00 C ATOM 0 H LEU A 80 -9.249 -4.762 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.313 -7.381 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.408 -4.889 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.581 -6.374 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.002 -4.524 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.751 -4.331 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.095 -3.826 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.349 -5.427 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.072 -5.895 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.621 -7.166 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.634 -6.703 -6.961 1.00 0.00 H new ATOM 1300 N ILE A 81 -10.985 -6.391 -4.176 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.059 -6.898 -3.379 1.00 0.00 C ATOM 1302 C ILE A 81 -12.941 -7.853 -4.108 1.00 0.00 C ATOM 1303 O ILE A 81 -13.431 -8.823 -3.532 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.867 -5.773 -2.802 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.040 -4.999 -1.762 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.209 -6.218 -2.198 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.698 -3.707 -1.279 1.00 0.00 C ATOM 0 H ILE A 81 -11.038 -5.386 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.596 -7.464 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.115 -5.119 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.859 -5.645 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.067 -4.760 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.735 -5.350 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.817 -6.689 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.027 -6.931 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -12.052 -3.221 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.854 -3.039 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.658 -3.938 -0.818 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.131 -7.684 -5.430 1.00 0.00 N ATOM 1320 CA ALA A 82 -13.825 -8.623 -6.256 1.00 0.00 C ATOM 1321 C ALA A 82 -13.266 -10.005 -6.236 1.00 0.00 C ATOM 1322 O ALA A 82 -13.982 -10.999 -6.347 1.00 0.00 O ATOM 1323 CB ALA A 82 -13.820 -8.101 -7.703 1.00 0.00 C ATOM 0 H ALA A 82 -12.791 -6.868 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.833 -8.703 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.346 -8.807 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.319 -7.133 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.791 -7.993 -8.047 1.00 0.00 H new ATOM 1329 N LYS A 83 -11.938 -10.129 -6.072 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.269 -11.375 -5.856 1.00 0.00 C ATOM 1331 C LYS A 83 -11.218 -11.735 -4.411 1.00 0.00 C ATOM 1332 O LYS A 83 -11.353 -12.903 -4.050 1.00 0.00 O ATOM 1333 CB LYS A 83 -9.855 -11.303 -6.458 1.00 0.00 C ATOM 1334 CG LYS A 83 -9.138 -12.653 -6.537 1.00 0.00 C ATOM 1335 CD LYS A 83 -7.972 -12.568 -7.525 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.059 -13.790 -7.411 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.052 -13.790 -8.497 1.00 0.00 N ATOM 0 H LYS A 83 -11.304 -9.330 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.835 -12.163 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.920 -10.879 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.252 -10.618 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.770 -12.937 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.837 -13.428 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.358 -12.493 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.396 -11.662 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.558 -13.788 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.654 -14.702 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.441 -14.626 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.535 -13.815 -9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.472 -12.929 -8.433 1.00 0.00 H new ATOM 1351 N TYR A 84 -10.999 -10.747 -3.527 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.593 -10.967 -2.173 1.00 0.00 C ATOM 1353 C TYR A 84 -11.688 -10.990 -1.163 1.00 0.00 C ATOM 1354 O TYR A 84 -11.448 -11.331 -0.006 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.519 -9.952 -1.745 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.280 -9.988 -2.572 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.779 -11.127 -3.157 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.579 -8.816 -2.733 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.618 -11.106 -3.893 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.410 -8.778 -3.455 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.935 -9.923 -4.050 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.753 -9.873 -4.820 1.00 0.00 O ATOM 0 H TYR A 84 -11.108 -9.760 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.187 -11.978 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.944 -8.949 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.253 -10.138 -0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.310 -12.060 -3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.954 -7.908 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.245 -12.013 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.866 -7.851 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.404 -8.957 -4.824 1.00 0.00 H new ATOM 1372 N SER A 85 -12.942 -10.664 -1.526 1.00 0.00 N ATOM 1373 CA SER A 85 -14.094 -10.924 -0.722 1.00 0.00 C ATOM 1374 C SER A 85 -14.222 -12.352 -0.317 1.00 0.00 C ATOM 1375 O SER A 85 -14.180 -12.668 0.871 1.00 0.00 O ATOM 1376 CB SER A 85 -15.383 -10.449 -1.415 1.00 0.00 C ATOM 1377 OG SER A 85 -16.519 -10.480 -0.563 1.00 0.00 O ATOM 0 H SER A 85 -13.160 -10.204 -2.410 1.00 0.00 H new ATOM 0 HA SER A 85 -13.949 -10.347 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.238 -9.432 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.572 -11.077 -2.286 1.00 0.00 H new ATOM 0 HG SER A 85 -17.306 -10.167 -1.056 1.00 0.00 H new ATOM 1383 N SER A 86 -14.334 -13.272 -1.291 1.00 0.00 N ATOM 1384 CA SER A 86 -14.232 -14.683 -1.081 1.00 0.00 C ATOM 1385 C SER A 86 -13.514 -15.310 -2.269 1.00 0.00 C ATOM 1386 O SER A 86 -14.040 -15.275 -3.412 1.00 0.00 O ATOM 1387 CB SER A 86 -15.575 -15.423 -0.956 1.00 0.00 C ATOM 1388 OG SER A 86 -16.277 -15.090 0.233 1.00 0.00 O ATOM 1389 OXT SER A 86 -12.416 -15.895 -2.075 1.00 0.00 O ATOM 0 H SER A 86 -14.503 -13.023 -2.266 1.00 0.00 H new ATOM 0 HA SER A 86 -13.702 -14.788 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.197 -15.186 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.396 -16.498 -0.978 1.00 0.00 H new ATOM 0 HG SER A 86 -15.845 -14.323 0.664 1.00 0.00 H new