USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 59 HIS : no HE2:sc= -9.65! C(o=-10!,f=-14!) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -0.457 X(o=-10,f=-10) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.187 (180deg=-1.29) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -1.32 (180deg=-1.87) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.521 K(o=-0.52,f=-3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 177:sc= -1.05 USER MOD Single : A 41 TYR OH : rot -15:sc= -1.01 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0.249 (180deg=-0.00447) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 ASN : amide:sc= -0.0713 K(o=-0.071,f=-2.2!) USER MOD Single : A 53 ASN : amide:sc= -0.77 X(o=-0.77,f=-1) USER MOD Single : A 55 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.35) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.773 USER MOD Single : A 64 ASN : amide:sc= -3.62! K(o=-3.6!,f=-1.6) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 71 SER OG : rot -175:sc= -0.713 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 80 GLN : amide:sc= -0.112 K(o=-0.11,f=-1) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.43) USER MOD Single : A 91 GLN : amide:sc= -5.83! C(o=-5.8!,f=-3.4!) USER MOD Single : A 96 GLN : amide:sc= -2.16! X(o=-2.2!,f=-2.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= -0.0853 (180deg=-0.785) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= -0.179 (180deg=-1.19) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -156:sc= -1.29 (180deg=-2.53!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 103.775 -6.714 13.212 1.00 0.00 N ATOM 36 CA PRO A 3 103.687 -7.736 12.126 1.00 0.00 C ATOM 37 C PRO A 3 102.331 -8.450 12.119 1.00 0.00 C ATOM 38 O PRO A 3 102.237 -9.629 12.399 1.00 0.00 O ATOM 39 CB PRO A 3 104.813 -8.724 12.454 1.00 0.00 C ATOM 40 CG PRO A 3 105.770 -7.970 13.318 1.00 0.00 C ATOM 41 CD PRO A 3 104.949 -6.922 14.070 1.00 0.00 C ATOM 0 HA PRO A 3 103.784 -7.286 11.138 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.426 -9.602 12.971 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.300 -9.078 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 3 106.274 -8.640 14.015 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.545 -7.496 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 3 104.663 -7.274 15.061 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.511 -5.999 14.210 1.00 0.00 H new ATOM 49 N GLU A 4 101.281 -7.743 11.806 1.00 0.00 N ATOM 50 CA GLU A 4 99.933 -8.379 11.788 1.00 0.00 C ATOM 51 C GLU A 4 99.711 -9.095 10.455 1.00 0.00 C ATOM 52 O GLU A 4 99.252 -10.219 10.414 1.00 0.00 O ATOM 53 CB GLU A 4 98.861 -7.304 11.975 1.00 0.00 C ATOM 54 CG GLU A 4 99.005 -6.675 13.363 1.00 0.00 C ATOM 55 CD GLU A 4 98.438 -7.627 14.416 1.00 0.00 C ATOM 56 OE1 GLU A 4 97.939 -8.673 14.034 1.00 0.00 O ATOM 57 OE2 GLU A 4 98.513 -7.297 15.588 1.00 0.00 O ATOM 0 H GLU A 4 101.297 -6.753 11.562 1.00 0.00 H new ATOM 0 HA GLU A 4 99.869 -9.106 12.598 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.960 -6.539 11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.869 -7.741 11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 4 100.054 -6.467 13.573 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.478 -5.721 13.398 1.00 0.00 H new ATOM 64 N PHE A 5 100.028 -8.457 9.364 1.00 0.00 N ATOM 65 CA PHE A 5 99.826 -9.108 8.039 1.00 0.00 C ATOM 66 C PHE A 5 100.827 -10.253 7.873 1.00 0.00 C ATOM 67 O PHE A 5 100.707 -11.069 6.982 1.00 0.00 O ATOM 68 CB PHE A 5 100.031 -8.086 6.916 1.00 0.00 C ATOM 69 CG PHE A 5 99.476 -8.651 5.628 1.00 0.00 C ATOM 70 CD1 PHE A 5 98.093 -8.767 5.456 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.343 -9.072 4.615 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.578 -9.302 4.272 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.827 -9.605 3.427 1.00 0.00 C ATOM 74 CZ PHE A 5 98.444 -9.723 3.258 1.00 0.00 C ATOM 0 H PHE A 5 100.417 -7.515 9.331 1.00 0.00 H new ATOM 0 HA PHE A 5 98.810 -9.499 7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.530 -7.150 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.091 -7.860 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.423 -8.443 6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.411 -8.986 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.510 -9.390 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 5 100.497 -9.925 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 5 98.045 -10.139 2.345 1.00 0.00 H new ATOM 84 N LEU A 6 101.812 -10.323 8.726 1.00 0.00 N ATOM 85 CA LEU A 6 102.815 -11.417 8.612 1.00 0.00 C ATOM 86 C LEU A 6 102.355 -12.616 9.443 1.00 0.00 C ATOM 87 O LEU A 6 102.592 -13.756 9.092 1.00 0.00 O ATOM 88 CB LEU A 6 104.172 -10.929 9.128 1.00 0.00 C ATOM 89 CG LEU A 6 104.489 -9.559 8.522 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.978 -9.252 8.704 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.153 -9.567 7.028 1.00 0.00 C ATOM 0 H LEU A 6 101.965 -9.671 9.495 1.00 0.00 H new ATOM 0 HA LEU A 6 102.912 -11.712 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.156 -10.862 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.951 -11.644 8.864 1.00 0.00 H new ATOM 0 HG LEU A 6 103.894 -8.797 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.204 -8.277 8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.221 -9.244 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.571 -10.017 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.379 -8.591 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 6 104.747 -10.331 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.093 -9.785 6.895 1.00 0.00 H new ATOM 103 N LYS A 7 101.698 -12.370 10.541 1.00 0.00 N ATOM 104 CA LYS A 7 101.223 -13.493 11.395 1.00 0.00 C ATOM 105 C LYS A 7 99.807 -13.893 10.972 1.00 0.00 C ATOM 106 O LYS A 7 99.290 -14.914 11.385 1.00 0.00 O ATOM 107 CB LYS A 7 101.211 -13.052 12.860 1.00 0.00 C ATOM 108 CG LYS A 7 102.647 -12.837 13.340 1.00 0.00 C ATOM 109 CD LYS A 7 102.634 -12.384 14.801 1.00 0.00 C ATOM 110 CE LYS A 7 103.968 -12.739 15.458 1.00 0.00 C ATOM 111 NZ LYS A 7 105.062 -12.630 14.452 1.00 0.00 N ATOM 0 H LYS A 7 101.469 -11.437 10.885 1.00 0.00 H new ATOM 0 HA LYS A 7 101.892 -14.345 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 7 100.638 -12.131 12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 7 100.720 -13.807 13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.217 -13.760 13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.141 -12.088 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.463 -11.309 14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 101.814 -12.865 15.335 1.00 0.00 H new ATOM 0 HE2 LYS A 7 104.162 -12.070 16.296 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.929 -13.751 15.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.973 -12.517 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.086 -13.492 13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.892 -11.805 13.842 1.00 0.00 H new ATOM 125 N ALA A 8 99.174 -13.099 10.152 1.00 0.00 N ATOM 126 CA ALA A 8 97.792 -13.433 9.705 1.00 0.00 C ATOM 127 C ALA A 8 97.709 -14.925 9.376 1.00 0.00 C ATOM 128 O ALA A 8 98.710 -15.601 9.253 1.00 0.00 O ATOM 129 CB ALA A 8 97.449 -12.617 8.457 1.00 0.00 C ATOM 0 H ALA A 8 99.555 -12.232 9.772 1.00 0.00 H new ATOM 0 HA ALA A 8 97.086 -13.196 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.438 -12.861 8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.509 -11.554 8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.155 -12.854 7.662 1.00 0.00 H new ATOM 135 N GLY A 9 96.520 -15.444 9.232 1.00 0.00 N ATOM 136 CA GLY A 9 96.368 -16.892 8.910 1.00 0.00 C ATOM 137 C GLY A 9 95.881 -17.644 10.149 1.00 0.00 C ATOM 138 O GLY A 9 96.598 -18.438 10.726 1.00 0.00 O ATOM 0 H GLY A 9 95.646 -14.927 9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 9 95.659 -17.021 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.320 -17.302 8.574 1.00 0.00 H new ATOM 142 N LYS A 10 94.667 -17.402 10.565 1.00 0.00 N ATOM 143 CA LYS A 10 94.135 -18.102 11.765 1.00 0.00 C ATOM 144 C LYS A 10 92.705 -18.575 11.491 1.00 0.00 C ATOM 145 O LYS A 10 92.074 -19.188 12.330 1.00 0.00 O ATOM 146 CB LYS A 10 94.135 -17.144 12.957 1.00 0.00 C ATOM 147 CG LYS A 10 93.764 -15.738 12.480 1.00 0.00 C ATOM 148 CD LYS A 10 93.111 -14.964 13.627 1.00 0.00 C ATOM 149 CE LYS A 10 93.180 -13.463 13.338 1.00 0.00 C ATOM 150 NZ LYS A 10 92.339 -12.728 14.323 1.00 0.00 N ATOM 0 H LYS A 10 94.021 -16.748 10.123 1.00 0.00 H new ATOM 0 HA LYS A 10 94.765 -18.963 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 10 93.424 -17.484 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.118 -17.132 13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 10 94.655 -15.213 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.081 -15.799 11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 10 92.073 -15.275 13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 10 93.618 -15.188 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 94.212 -13.118 13.396 1.00 0.00 H new ATOM 0 HE3 LYS A 10 92.833 -13.261 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 92.386 -11.708 14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 91.353 -13.050 14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 92.690 -12.912 15.285 1.00 0.00 H new ATOM 164 N GLU A 11 92.189 -18.296 10.325 1.00 0.00 N ATOM 165 CA GLU A 11 90.801 -18.733 10.003 1.00 0.00 C ATOM 166 C GLU A 11 90.620 -18.767 8.481 1.00 0.00 C ATOM 167 O GLU A 11 91.134 -17.925 7.772 1.00 0.00 O ATOM 168 CB GLU A 11 89.803 -17.748 10.612 1.00 0.00 C ATOM 169 CG GLU A 11 89.974 -16.375 9.957 1.00 0.00 C ATOM 170 CD GLU A 11 89.081 -15.355 10.665 1.00 0.00 C ATOM 171 OE1 GLU A 11 88.765 -15.575 11.823 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.727 -14.371 10.038 1.00 0.00 O ATOM 0 H GLU A 11 92.668 -17.785 9.583 1.00 0.00 H new ATOM 0 HA GLU A 11 90.627 -19.727 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 88.785 -18.108 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 11 89.962 -17.672 11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.016 -16.061 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 11 89.714 -16.430 8.900 1.00 0.00 H new ATOM 179 N PRO A 12 89.892 -19.734 7.981 1.00 0.00 N ATOM 180 CA PRO A 12 89.640 -19.876 6.517 1.00 0.00 C ATOM 181 C PRO A 12 88.637 -18.839 5.997 1.00 0.00 C ATOM 182 O PRO A 12 87.444 -19.073 5.981 1.00 0.00 O ATOM 183 CB PRO A 12 89.065 -21.287 6.385 1.00 0.00 C ATOM 184 CG PRO A 12 88.430 -21.574 7.704 1.00 0.00 C ATOM 185 CD PRO A 12 89.230 -20.799 8.753 1.00 0.00 C ATOM 0 HA PRO A 12 90.546 -19.717 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 12 88.336 -21.341 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.847 -22.012 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.385 -21.264 7.707 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.445 -22.643 7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.581 -20.387 9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 12 89.956 -21.439 9.254 1.00 0.00 H new ATOM 193 N GLY A 13 89.107 -17.698 5.573 1.00 0.00 N ATOM 194 CA GLY A 13 88.175 -16.656 5.056 1.00 0.00 C ATOM 195 C GLY A 13 88.975 -15.542 4.380 1.00 0.00 C ATOM 196 O GLY A 13 89.487 -15.704 3.290 1.00 0.00 O ATOM 0 H GLY A 13 90.094 -17.442 5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.477 -17.099 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.582 -16.247 5.873 1.00 0.00 H new ATOM 200 N LEU A 14 89.086 -14.410 5.018 1.00 0.00 N ATOM 201 CA LEU A 14 89.850 -13.283 4.413 1.00 0.00 C ATOM 202 C LEU A 14 90.203 -12.264 5.500 1.00 0.00 C ATOM 203 O LEU A 14 89.441 -12.034 6.418 1.00 0.00 O ATOM 204 CB LEU A 14 88.996 -12.609 3.335 1.00 0.00 C ATOM 205 CG LEU A 14 89.802 -11.493 2.656 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.500 -11.481 1.156 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.417 -10.138 3.259 1.00 0.00 C ATOM 0 H LEU A 14 88.680 -14.216 5.934 1.00 0.00 H new ATOM 0 HA LEU A 14 90.767 -13.664 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.681 -13.345 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.090 -12.197 3.780 1.00 0.00 H new ATOM 0 HG LEU A 14 90.865 -11.673 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.073 -10.688 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 89.776 -12.442 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.436 -11.305 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.991 -9.348 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.353 -9.960 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.633 -10.141 4.327 1.00 0.00 H new ATOM 219 N GLN A 15 91.351 -11.649 5.402 1.00 0.00 N ATOM 220 CA GLN A 15 91.749 -10.646 6.431 1.00 0.00 C ATOM 221 C GLN A 15 92.313 -9.399 5.743 1.00 0.00 C ATOM 222 O GLN A 15 92.969 -9.484 4.722 1.00 0.00 O ATOM 223 CB GLN A 15 92.815 -11.250 7.346 1.00 0.00 C ATOM 224 CG GLN A 15 92.424 -12.685 7.711 1.00 0.00 C ATOM 225 CD GLN A 15 92.970 -13.027 9.100 1.00 0.00 C ATOM 226 OE1 GLN A 15 92.535 -12.473 10.089 1.00 0.00 O ATOM 227 NE2 GLN A 15 93.910 -13.925 9.215 1.00 0.00 N ATOM 0 H GLN A 15 92.029 -11.798 4.655 1.00 0.00 H new ATOM 0 HA GLN A 15 90.876 -10.369 7.022 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.784 -11.242 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.917 -10.649 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.339 -12.792 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.821 -13.380 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.275 -14.390 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.279 -14.162 10.136 1.00 0.00 H new ATOM 236 N ILE A 16 92.057 -8.242 6.295 1.00 0.00 N ATOM 237 CA ILE A 16 92.569 -6.984 5.676 1.00 0.00 C ATOM 238 C ILE A 16 93.425 -6.219 6.688 1.00 0.00 C ATOM 239 O ILE A 16 93.143 -6.200 7.869 1.00 0.00 O ATOM 240 CB ILE A 16 91.386 -6.108 5.254 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.547 -6.847 4.203 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.907 -4.796 4.664 1.00 0.00 C ATOM 243 CD1 ILE A 16 89.060 -6.588 4.458 1.00 0.00 C ATOM 0 H ILE A 16 91.515 -8.114 7.149 1.00 0.00 H new ATOM 0 HA ILE A 16 93.175 -7.233 4.805 1.00 0.00 H new ATOM 0 HB ILE A 16 90.766 -5.893 6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.819 -6.509 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.753 -7.917 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.065 -4.172 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.499 -4.270 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.529 -5.010 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.466 -7.114 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.793 -6.947 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.861 -5.518 4.393 1.00 0.00 H new ATOM 255 N TRP A 17 94.468 -5.581 6.229 1.00 0.00 N ATOM 256 CA TRP A 17 95.342 -4.811 7.157 1.00 0.00 C ATOM 257 C TRP A 17 95.893 -3.585 6.422 1.00 0.00 C ATOM 258 O TRP A 17 96.313 -3.671 5.284 1.00 0.00 O ATOM 259 CB TRP A 17 96.503 -5.698 7.620 1.00 0.00 C ATOM 260 CG TRP A 17 96.203 -6.265 8.974 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.247 -5.570 10.132 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.821 -7.628 9.327 1.00 0.00 C ATOM 263 NE1 TRP A 17 95.916 -6.417 11.175 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.646 -7.696 10.729 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.613 -8.799 8.577 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.277 -8.883 11.364 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.242 -9.995 9.212 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.076 -10.038 10.602 1.00 0.00 C ATOM 0 H TRP A 17 94.752 -5.561 5.250 1.00 0.00 H new ATOM 0 HA TRP A 17 94.767 -4.491 8.026 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.663 -6.505 6.905 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.424 -5.117 7.656 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.499 -4.524 10.228 1.00 0.00 H new ATOM 0 HE1 TRP A 17 95.876 -6.132 12.153 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.740 -8.778 7.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.148 -8.909 12.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.084 -10.888 8.625 1.00 0.00 H new ATOM 0 HH2 TRP A 17 94.793 -10.962 11.085 1.00 0.00 H new ATOM 279 N ARG A 18 95.892 -2.445 7.056 1.00 0.00 N ATOM 280 CA ARG A 18 96.413 -1.221 6.383 1.00 0.00 C ATOM 281 C ARG A 18 97.889 -1.024 6.743 1.00 0.00 C ATOM 282 O ARG A 18 98.347 -1.458 7.779 1.00 0.00 O ATOM 283 CB ARG A 18 95.599 -0.004 6.838 1.00 0.00 C ATOM 284 CG ARG A 18 96.374 1.281 6.528 1.00 0.00 C ATOM 285 CD ARG A 18 95.448 2.488 6.697 1.00 0.00 C ATOM 286 NE ARG A 18 96.245 3.742 6.592 1.00 0.00 N ATOM 287 CZ ARG A 18 95.663 4.900 6.748 1.00 0.00 C ATOM 288 NH1 ARG A 18 96.361 6.000 6.656 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.385 4.958 6.999 1.00 0.00 N ATOM 0 H ARG A 18 95.554 -2.308 8.009 1.00 0.00 H new ATOM 0 HA ARG A 18 96.322 -1.332 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.634 0.010 6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.396 -0.069 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.232 1.371 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.763 1.247 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 18 94.670 2.473 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.946 2.443 7.664 1.00 0.00 H new ATOM 0 HE ARG A 18 97.245 3.696 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 97.361 5.955 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.906 6.905 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.840 4.099 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.930 5.863 7.121 1.00 0.00 H new ATOM 303 N VAL A 19 98.638 -0.380 5.889 1.00 0.00 N ATOM 304 CA VAL A 19 100.086 -0.162 6.176 1.00 0.00 C ATOM 305 C VAL A 19 100.288 1.227 6.789 1.00 0.00 C ATOM 306 O VAL A 19 99.766 2.210 6.299 1.00 0.00 O ATOM 307 CB VAL A 19 100.879 -0.265 4.872 1.00 0.00 C ATOM 308 CG1 VAL A 19 102.379 -0.201 5.170 1.00 0.00 C ATOM 309 CG2 VAL A 19 100.553 -1.593 4.183 1.00 0.00 C ATOM 0 H VAL A 19 98.310 0.005 5.004 1.00 0.00 H new ATOM 0 HA VAL A 19 100.435 -0.918 6.879 1.00 0.00 H new ATOM 0 HB VAL A 19 100.607 0.564 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.939 -0.275 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.613 0.744 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.655 -1.027 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 19 101.117 -1.669 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 19 100.824 -2.420 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 19 99.486 -1.637 3.965 1.00 0.00 H new ATOM 319 N GLU A 20 101.045 1.322 7.851 1.00 0.00 N ATOM 320 CA GLU A 20 101.276 2.658 8.475 1.00 0.00 C ATOM 321 C GLU A 20 102.349 3.394 7.677 1.00 0.00 C ATOM 322 O GLU A 20 103.518 3.354 8.006 1.00 0.00 O ATOM 323 CB GLU A 20 101.750 2.476 9.922 1.00 0.00 C ATOM 324 CG GLU A 20 101.185 3.597 10.799 1.00 0.00 C ATOM 325 CD GLU A 20 101.501 3.305 12.267 1.00 0.00 C ATOM 326 OE1 GLU A 20 100.788 3.812 13.118 1.00 0.00 O ATOM 327 OE2 GLU A 20 102.450 2.581 12.515 1.00 0.00 O ATOM 0 H GLU A 20 101.510 0.539 8.310 1.00 0.00 H new ATOM 0 HA GLU A 20 100.350 3.232 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.426 1.507 10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.839 2.485 9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.616 4.554 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.107 3.676 10.657 1.00 0.00 H new ATOM 334 N LYS A 21 101.957 4.069 6.633 1.00 0.00 N ATOM 335 CA LYS A 21 102.950 4.812 5.803 1.00 0.00 C ATOM 336 C LYS A 21 104.224 3.972 5.641 1.00 0.00 C ATOM 337 O LYS A 21 105.230 4.449 5.159 1.00 0.00 O ATOM 338 CB LYS A 21 103.294 6.136 6.485 1.00 0.00 C ATOM 339 CG LYS A 21 102.049 7.024 6.532 1.00 0.00 C ATOM 340 CD LYS A 21 102.466 8.488 6.713 1.00 0.00 C ATOM 341 CE LYS A 21 102.615 9.156 5.344 1.00 0.00 C ATOM 342 NZ LYS A 21 103.767 8.549 4.617 1.00 0.00 N ATOM 0 H LYS A 21 100.990 4.139 6.317 1.00 0.00 H new ATOM 0 HA LYS A 21 102.523 5.008 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 21 103.661 5.953 7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.093 6.640 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 21 101.474 6.910 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 21 101.401 6.716 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.721 9.017 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 103.408 8.543 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 101.700 9.032 4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 21 102.772 10.228 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.073 9.188 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 104.554 8.397 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 103.478 7.637 4.208 1.00 0.00 H new ATOM 356 N PHE A 22 104.189 2.727 6.044 1.00 0.00 N ATOM 357 CA PHE A 22 105.396 1.856 5.921 1.00 0.00 C ATOM 358 C PHE A 22 105.258 0.665 6.880 1.00 0.00 C ATOM 359 O PHE A 22 105.740 -0.417 6.611 1.00 0.00 O ATOM 360 CB PHE A 22 106.657 2.653 6.294 1.00 0.00 C ATOM 361 CG PHE A 22 107.409 3.049 5.043 1.00 0.00 C ATOM 362 CD1 PHE A 22 107.823 2.067 4.133 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.700 4.397 4.797 1.00 0.00 C ATOM 364 CE1 PHE A 22 108.524 2.435 2.977 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.399 4.764 3.640 1.00 0.00 C ATOM 366 CZ PHE A 22 108.811 3.782 2.731 1.00 0.00 C ATOM 0 H PHE A 22 103.372 2.275 6.455 1.00 0.00 H new ATOM 0 HA PHE A 22 105.480 1.503 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.380 3.543 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.299 2.053 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.602 1.027 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 22 107.385 5.154 5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 22 108.843 1.678 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.620 5.804 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 22 109.351 4.065 1.839 1.00 0.00 H new ATOM 376 N ASP A 23 104.617 0.862 8.001 1.00 0.00 N ATOM 377 CA ASP A 23 104.465 -0.252 8.982 1.00 0.00 C ATOM 378 C ASP A 23 103.127 -0.970 8.767 1.00 0.00 C ATOM 379 O ASP A 23 102.685 -1.158 7.651 1.00 0.00 O ATOM 380 CB ASP A 23 104.520 0.312 10.404 1.00 0.00 C ATOM 381 CG ASP A 23 105.317 1.618 10.404 1.00 0.00 C ATOM 382 OD1 ASP A 23 105.050 2.452 11.253 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.179 1.763 9.553 1.00 0.00 O ATOM 0 H ASP A 23 104.192 1.746 8.280 1.00 0.00 H new ATOM 0 HA ASP A 23 105.276 -0.966 8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 23 103.511 0.489 10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 104.985 -0.410 11.075 1.00 0.00 H new ATOM 388 N LEU A 24 102.486 -1.381 9.831 1.00 0.00 N ATOM 389 CA LEU A 24 101.184 -2.098 9.693 1.00 0.00 C ATOM 390 C LEU A 24 100.112 -1.402 10.538 1.00 0.00 C ATOM 391 O LEU A 24 100.385 -0.871 11.596 1.00 0.00 O ATOM 392 CB LEU A 24 101.350 -3.542 10.170 1.00 0.00 C ATOM 393 CG LEU A 24 101.971 -4.381 9.050 1.00 0.00 C ATOM 394 CD1 LEU A 24 102.751 -5.550 9.654 1.00 0.00 C ATOM 395 CD2 LEU A 24 100.862 -4.925 8.144 1.00 0.00 C ATOM 0 H LEU A 24 102.809 -1.251 10.790 1.00 0.00 H new ATOM 0 HA LEU A 24 100.876 -2.088 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.984 -3.573 11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.383 -3.956 10.455 1.00 0.00 H new ATOM 0 HG LEU A 24 102.648 -3.757 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 103.192 -6.145 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 103.542 -5.166 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 24 102.076 -6.173 10.240 1.00 0.00 H new ATOM 0 HD21 LEU A 24 101.304 -5.522 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 100.185 -5.546 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.307 -4.094 7.710 1.00 0.00 H new ATOM 407 N VAL A 25 98.888 -1.406 10.075 1.00 0.00 N ATOM 408 CA VAL A 25 97.789 -0.751 10.841 1.00 0.00 C ATOM 409 C VAL A 25 96.515 -1.594 10.713 1.00 0.00 C ATOM 410 O VAL A 25 96.140 -1.992 9.629 1.00 0.00 O ATOM 411 CB VAL A 25 97.523 0.641 10.264 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.646 1.438 11.228 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.845 1.374 10.059 1.00 0.00 C ATOM 0 H VAL A 25 98.603 -1.837 9.196 1.00 0.00 H new ATOM 0 HA VAL A 25 98.077 -0.666 11.889 1.00 0.00 H new ATOM 0 HB VAL A 25 97.012 0.540 9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.458 2.429 10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.698 0.919 11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 25 97.155 1.536 12.187 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.652 2.365 9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.359 1.472 11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.470 0.810 9.367 1.00 0.00 H new ATOM 423 N PRO A 26 95.845 -1.863 11.808 1.00 0.00 N ATOM 424 CA PRO A 26 94.591 -2.667 11.799 1.00 0.00 C ATOM 425 C PRO A 26 93.389 -1.862 11.294 1.00 0.00 C ATOM 426 O PRO A 26 93.277 -0.677 11.541 1.00 0.00 O ATOM 427 CB PRO A 26 94.399 -3.049 13.267 1.00 0.00 C ATOM 428 CG PRO A 26 95.066 -1.962 14.043 1.00 0.00 C ATOM 429 CD PRO A 26 96.209 -1.435 13.171 1.00 0.00 C ATOM 0 HA PRO A 26 94.663 -3.524 11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.341 -3.122 13.520 1.00 0.00 H new ATOM 0 HB3 PRO A 26 94.846 -4.019 13.483 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.360 -1.166 14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.446 -2.341 14.992 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.295 -0.351 13.239 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.169 -1.851 13.477 1.00 0.00 H new ATOM 437 N VAL A 27 92.491 -2.497 10.590 1.00 0.00 N ATOM 438 CA VAL A 27 91.297 -1.772 10.071 1.00 0.00 C ATOM 439 C VAL A 27 90.044 -2.261 10.806 1.00 0.00 C ATOM 440 O VAL A 27 89.518 -3.315 10.508 1.00 0.00 O ATOM 441 CB VAL A 27 91.148 -2.054 8.575 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.805 -1.509 8.084 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.283 -1.369 7.812 1.00 0.00 C ATOM 0 H VAL A 27 92.533 -3.488 10.352 1.00 0.00 H new ATOM 0 HA VAL A 27 91.420 -0.701 10.233 1.00 0.00 H new ATOM 0 HB VAL A 27 91.190 -3.129 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.699 -1.710 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.995 -1.995 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.764 -0.434 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.178 -1.569 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.241 -0.294 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.241 -1.755 8.161 1.00 0.00 H new ATOM 453 N PRO A 28 89.567 -1.502 11.759 1.00 0.00 N ATOM 454 CA PRO A 28 88.352 -1.870 12.546 1.00 0.00 C ATOM 455 C PRO A 28 87.169 -2.239 11.644 1.00 0.00 C ATOM 456 O PRO A 28 87.141 -1.911 10.475 1.00 0.00 O ATOM 457 CB PRO A 28 88.036 -0.607 13.352 1.00 0.00 C ATOM 458 CG PRO A 28 89.326 0.137 13.449 1.00 0.00 C ATOM 459 CD PRO A 28 90.130 -0.214 12.196 1.00 0.00 C ATOM 0 HA PRO A 28 88.526 -2.748 13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.273 -0.006 12.857 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.652 -0.858 14.341 1.00 0.00 H new ATOM 0 HG2 PRO A 28 89.150 1.211 13.508 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.870 -0.147 14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.023 0.550 11.426 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.194 -0.298 12.416 1.00 0.00 H new ATOM 467 N THR A 29 86.192 -2.918 12.181 1.00 0.00 N ATOM 468 CA THR A 29 85.014 -3.307 11.356 1.00 0.00 C ATOM 469 C THR A 29 84.213 -2.055 10.992 1.00 0.00 C ATOM 470 O THR A 29 83.468 -2.040 10.034 1.00 0.00 O ATOM 471 CB THR A 29 84.127 -4.267 12.152 1.00 0.00 C ATOM 472 OG1 THR A 29 84.795 -5.512 12.300 1.00 0.00 O ATOM 473 CG2 THR A 29 82.807 -4.477 11.412 1.00 0.00 C ATOM 0 H THR A 29 86.159 -3.220 13.155 1.00 0.00 H new ATOM 0 HA THR A 29 85.354 -3.799 10.445 1.00 0.00 H new ATOM 0 HB THR A 29 83.924 -3.845 13.136 1.00 0.00 H new ATOM 0 HG1 THR A 29 84.229 -6.128 12.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.176 -5.161 11.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.296 -3.521 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.005 -4.900 10.427 1.00 0.00 H new ATOM 481 N ASN A 30 84.361 -1.003 11.752 1.00 0.00 N ATOM 482 CA ASN A 30 83.608 0.247 11.449 1.00 0.00 C ATOM 483 C ASN A 30 84.112 0.838 10.131 1.00 0.00 C ATOM 484 O ASN A 30 83.512 1.733 9.571 1.00 0.00 O ATOM 485 CB ASN A 30 83.823 1.258 12.577 1.00 0.00 C ATOM 486 CG ASN A 30 82.937 2.482 12.342 1.00 0.00 C ATOM 487 OD1 ASN A 30 82.023 2.440 11.541 1.00 0.00 O ATOM 488 ND2 ASN A 30 83.170 3.579 13.008 1.00 0.00 N ATOM 0 H ASN A 30 84.970 -0.956 12.569 1.00 0.00 H new ATOM 0 HA ASN A 30 82.545 0.020 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.584 0.802 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 30 84.871 1.557 12.617 1.00 0.00 H new ATOM 0 HD21 ASN A 30 82.586 4.401 12.857 1.00 0.00 H new ATOM 0 HD22 ASN A 30 83.937 3.615 13.680 1.00 0.00 H new ATOM 495 N LEU A 31 85.214 0.342 9.630 1.00 0.00 N ATOM 496 CA LEU A 31 85.760 0.869 8.350 1.00 0.00 C ATOM 497 C LEU A 31 85.897 -0.274 7.344 1.00 0.00 C ATOM 498 O LEU A 31 86.023 -0.056 6.155 1.00 0.00 O ATOM 499 CB LEU A 31 87.134 1.495 8.603 1.00 0.00 C ATOM 500 CG LEU A 31 86.986 2.682 9.556 1.00 0.00 C ATOM 501 CD1 LEU A 31 88.310 2.921 10.286 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.616 3.935 8.755 1.00 0.00 C ATOM 0 H LEU A 31 85.759 -0.408 10.056 1.00 0.00 H new ATOM 0 HA LEU A 31 85.084 1.624 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.810 0.754 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.575 1.823 7.662 1.00 0.00 H new ATOM 0 HG LEU A 31 86.203 2.467 10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.204 3.767 10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.578 2.031 10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 31 89.093 3.136 9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 31 86.510 4.782 9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.401 4.147 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.674 3.768 8.233 1.00 0.00 H new ATOM 514 N TYR A 32 85.872 -1.493 7.810 1.00 0.00 N ATOM 515 CA TYR A 32 85.999 -2.651 6.878 1.00 0.00 C ATOM 516 C TYR A 32 85.149 -2.394 5.631 1.00 0.00 C ATOM 517 O TYR A 32 84.005 -1.996 5.719 1.00 0.00 O ATOM 518 CB TYR A 32 85.511 -3.922 7.577 1.00 0.00 C ATOM 519 CG TYR A 32 85.285 -5.010 6.555 1.00 0.00 C ATOM 520 CD1 TYR A 32 86.231 -6.029 6.394 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.127 -5.000 5.766 1.00 0.00 C ATOM 522 CE1 TYR A 32 86.020 -7.038 5.447 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.916 -6.009 4.818 1.00 0.00 C ATOM 524 CZ TYR A 32 84.863 -7.028 4.659 1.00 0.00 C ATOM 525 OH TYR A 32 84.654 -8.023 3.725 1.00 0.00 O ATOM 0 H TYR A 32 85.769 -1.738 8.795 1.00 0.00 H new ATOM 0 HA TYR A 32 87.042 -2.775 6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.245 -4.248 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.586 -3.719 8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 32 87.124 -6.037 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.397 -4.214 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 32 86.750 -7.824 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 32 83.023 -6.001 4.210 1.00 0.00 H new ATOM 0 HH TYR A 32 83.803 -7.867 3.265 1.00 0.00 H new ATOM 535 N GLY A 33 85.701 -2.618 4.469 1.00 0.00 N ATOM 536 CA GLY A 33 84.924 -2.387 3.218 1.00 0.00 C ATOM 537 C GLY A 33 85.277 -1.015 2.643 1.00 0.00 C ATOM 538 O GLY A 33 84.524 -0.435 1.887 1.00 0.00 O ATOM 0 H GLY A 33 86.655 -2.951 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 33 85.147 -3.167 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.855 -2.442 3.426 1.00 0.00 H new ATOM 542 N ASP A 34 86.420 -0.490 2.993 1.00 0.00 N ATOM 543 CA ASP A 34 86.821 0.844 2.465 1.00 0.00 C ATOM 544 C ASP A 34 88.329 0.855 2.200 1.00 0.00 C ATOM 545 O ASP A 34 89.087 0.157 2.843 1.00 0.00 O ATOM 546 CB ASP A 34 86.476 1.925 3.493 1.00 0.00 C ATOM 547 CG ASP A 34 87.443 1.833 4.675 1.00 0.00 C ATOM 548 OD1 ASP A 34 87.655 2.846 5.320 1.00 0.00 O ATOM 549 OD2 ASP A 34 87.952 0.751 4.915 1.00 0.00 O ATOM 0 H ASP A 34 87.093 -0.928 3.622 1.00 0.00 H new ATOM 0 HA ASP A 34 86.287 1.043 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.539 2.912 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 85.450 1.799 3.838 1.00 0.00 H new ATOM 554 N PHE A 35 88.770 1.644 1.258 1.00 0.00 N ATOM 555 CA PHE A 35 90.226 1.700 0.954 1.00 0.00 C ATOM 556 C PHE A 35 90.627 3.141 0.634 1.00 0.00 C ATOM 557 O PHE A 35 89.930 3.848 -0.066 1.00 0.00 O ATOM 558 CB PHE A 35 90.530 0.806 -0.252 1.00 0.00 C ATOM 559 CG PHE A 35 90.132 -0.615 0.062 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.851 -1.073 -0.273 1.00 0.00 C ATOM 561 CD2 PHE A 35 91.042 -1.477 0.685 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.482 -2.392 0.019 1.00 0.00 C ATOM 563 CE2 PHE A 35 90.673 -2.794 0.977 1.00 0.00 C ATOM 564 CZ PHE A 35 89.393 -3.253 0.643 1.00 0.00 C ATOM 0 H PHE A 35 88.184 2.252 0.686 1.00 0.00 H new ATOM 0 HA PHE A 35 90.791 1.350 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.987 1.162 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.592 0.852 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.149 -0.410 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 35 92.030 -1.125 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.494 -2.745 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 35 91.375 -3.457 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.109 -4.271 0.867 1.00 0.00 H new ATOM 574 N PHE A 36 91.745 3.582 1.144 1.00 0.00 N ATOM 575 CA PHE A 36 92.189 4.980 0.871 1.00 0.00 C ATOM 576 C PHE A 36 93.285 4.964 -0.200 1.00 0.00 C ATOM 577 O PHE A 36 94.174 4.137 -0.180 1.00 0.00 O ATOM 578 CB PHE A 36 92.737 5.600 2.162 1.00 0.00 C ATOM 579 CG PHE A 36 92.269 7.033 2.279 1.00 0.00 C ATOM 580 CD1 PHE A 36 91.004 7.313 2.810 1.00 0.00 C ATOM 581 CD2 PHE A 36 93.099 8.077 1.857 1.00 0.00 C ATOM 582 CE1 PHE A 36 90.570 8.641 2.919 1.00 0.00 C ATOM 583 CE2 PHE A 36 92.666 9.403 1.967 1.00 0.00 C ATOM 584 CZ PHE A 36 91.402 9.686 2.497 1.00 0.00 C ATOM 0 H PHE A 36 92.370 3.036 1.737 1.00 0.00 H new ATOM 0 HA PHE A 36 91.345 5.571 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 36 92.399 5.026 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.826 5.562 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.364 6.506 3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 36 94.074 7.860 1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 36 89.595 8.859 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 36 93.308 10.209 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 36 91.068 10.710 2.581 1.00 0.00 H new ATOM 594 N THR A 37 93.227 5.874 -1.133 1.00 0.00 N ATOM 595 CA THR A 37 94.264 5.912 -2.203 1.00 0.00 C ATOM 596 C THR A 37 95.539 6.555 -1.655 1.00 0.00 C ATOM 597 O THR A 37 96.552 6.615 -2.323 1.00 0.00 O ATOM 598 CB THR A 37 93.747 6.737 -3.385 1.00 0.00 C ATOM 599 OG1 THR A 37 93.662 8.103 -3.005 1.00 0.00 O ATOM 600 CG2 THR A 37 92.362 6.233 -3.794 1.00 0.00 C ATOM 0 H THR A 37 92.507 6.593 -1.201 1.00 0.00 H new ATOM 0 HA THR A 37 94.481 4.896 -2.534 1.00 0.00 H new ATOM 0 HB THR A 37 94.432 6.635 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.379 8.640 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.995 6.821 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.428 5.185 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.675 6.334 -2.954 1.00 0.00 H new ATOM 608 N GLY A 38 95.499 7.036 -0.442 1.00 0.00 N ATOM 609 CA GLY A 38 96.708 7.676 0.149 1.00 0.00 C ATOM 610 C GLY A 38 97.423 6.681 1.063 1.00 0.00 C ATOM 611 O GLY A 38 98.045 7.055 2.037 1.00 0.00 O ATOM 0 H GLY A 38 94.680 7.013 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.381 8.005 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.422 8.563 0.714 1.00 0.00 H new ATOM 615 N ASP A 39 97.342 5.414 0.758 1.00 0.00 N ATOM 616 CA ASP A 39 98.018 4.399 1.612 1.00 0.00 C ATOM 617 C ASP A 39 97.904 3.021 0.956 1.00 0.00 C ATOM 618 O ASP A 39 97.013 2.770 0.170 1.00 0.00 O ATOM 619 CB ASP A 39 97.353 4.363 2.989 1.00 0.00 C ATOM 620 CG ASP A 39 98.263 3.630 3.976 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.546 2.467 3.740 1.00 0.00 O ATOM 622 OD2 ASP A 39 98.661 4.243 4.953 1.00 0.00 O ATOM 0 H ASP A 39 96.837 5.039 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 39 99.070 4.663 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.162 5.377 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.388 3.860 2.926 1.00 0.00 H new ATOM 627 N ALA A 40 98.799 2.125 1.274 1.00 0.00 N ATOM 628 CA ALA A 40 98.740 0.765 0.670 1.00 0.00 C ATOM 629 C ALA A 40 98.051 -0.192 1.646 1.00 0.00 C ATOM 630 O ALA A 40 98.159 -0.050 2.848 1.00 0.00 O ATOM 631 CB ALA A 40 100.160 0.272 0.386 1.00 0.00 C ATOM 0 H ALA A 40 99.568 2.277 1.926 1.00 0.00 H new ATOM 0 HA ALA A 40 98.177 0.802 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 40 100.118 -0.723 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.651 0.956 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.724 0.232 1.318 1.00 0.00 H new ATOM 637 N TYR A 41 97.344 -1.166 1.138 1.00 0.00 N ATOM 638 CA TYR A 41 96.648 -2.132 2.037 1.00 0.00 C ATOM 639 C TYR A 41 97.001 -3.560 1.621 1.00 0.00 C ATOM 640 O TYR A 41 96.986 -3.898 0.453 1.00 0.00 O ATOM 641 CB TYR A 41 95.135 -1.930 1.927 1.00 0.00 C ATOM 642 CG TYR A 41 94.776 -0.535 2.380 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.073 -0.348 3.576 1.00 0.00 C ATOM 644 CD2 TYR A 41 95.144 0.570 1.605 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.737 0.945 3.997 1.00 0.00 C ATOM 646 CE2 TYR A 41 94.809 1.863 2.024 1.00 0.00 C ATOM 647 CZ TYR A 41 94.106 2.051 3.222 1.00 0.00 C ATOM 648 OH TYR A 41 93.776 3.325 3.636 1.00 0.00 O ATOM 0 H TYR A 41 97.218 -1.334 0.140 1.00 0.00 H new ATOM 0 HA TYR A 41 96.965 -1.964 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.811 -2.084 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.614 -2.667 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 41 93.790 -1.201 4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.687 0.425 0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 41 93.193 1.089 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 41 95.092 2.715 1.424 1.00 0.00 H new ATOM 0 HH TYR A 41 93.095 3.274 4.339 1.00 0.00 H new ATOM 658 N VAL A 42 97.314 -4.405 2.566 1.00 0.00 N ATOM 659 CA VAL A 42 97.662 -5.807 2.228 1.00 0.00 C ATOM 660 C VAL A 42 96.496 -6.715 2.607 1.00 0.00 C ATOM 661 O VAL A 42 95.864 -6.525 3.628 1.00 0.00 O ATOM 662 CB VAL A 42 98.883 -6.230 3.033 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.850 -7.012 2.138 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.592 -4.990 3.585 1.00 0.00 C ATOM 0 H VAL A 42 97.343 -4.180 3.560 1.00 0.00 H new ATOM 0 HA VAL A 42 97.871 -5.883 1.161 1.00 0.00 H new ATOM 0 HB VAL A 42 98.562 -6.864 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.722 -7.312 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.350 -7.899 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 42 100.167 -6.382 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.465 -5.296 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.907 -4.353 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.909 -4.437 4.229 1.00 0.00 H new ATOM 674 N ILE A 43 96.206 -7.698 1.803 1.00 0.00 N ATOM 675 CA ILE A 43 95.080 -8.609 2.132 1.00 0.00 C ATOM 676 C ILE A 43 95.527 -10.062 1.998 1.00 0.00 C ATOM 677 O ILE A 43 96.180 -10.439 1.045 1.00 0.00 O ATOM 678 CB ILE A 43 93.911 -8.333 1.189 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.994 -6.893 0.666 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.607 -8.518 1.956 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.916 -5.908 1.837 1.00 0.00 C ATOM 0 H ILE A 43 96.699 -7.909 0.935 1.00 0.00 H new ATOM 0 HA ILE A 43 94.763 -8.434 3.160 1.00 0.00 H new ATOM 0 HB ILE A 43 93.950 -9.022 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.926 -6.749 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.181 -6.704 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.764 -8.324 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.546 -9.540 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.577 -7.823 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.976 -4.888 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.972 -6.045 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.745 -6.090 2.521 1.00 0.00 H new ATOM 693 N LEU A 44 95.183 -10.879 2.956 1.00 0.00 N ATOM 694 CA LEU A 44 95.587 -12.311 2.904 1.00 0.00 C ATOM 695 C LEU A 44 94.340 -13.194 2.907 1.00 0.00 C ATOM 696 O LEU A 44 93.545 -13.163 3.828 1.00 0.00 O ATOM 697 CB LEU A 44 96.449 -12.640 4.128 1.00 0.00 C ATOM 698 CG LEU A 44 96.695 -14.154 4.200 1.00 0.00 C ATOM 699 CD1 LEU A 44 98.166 -14.419 4.527 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.818 -14.767 5.296 1.00 0.00 C ATOM 0 H LEU A 44 94.637 -10.614 3.776 1.00 0.00 H new ATOM 0 HA LEU A 44 96.159 -12.495 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.400 -12.110 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.952 -12.300 5.036 1.00 0.00 H new ATOM 0 HG LEU A 44 96.446 -14.603 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.339 -15.494 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.795 -13.986 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 44 98.413 -13.966 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 44 95.995 -15.841 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 96.066 -14.314 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.768 -14.582 5.068 1.00 0.00 H new ATOM 712 N LYS A 45 94.162 -13.985 1.886 1.00 0.00 N ATOM 713 CA LYS A 45 92.969 -14.876 1.836 1.00 0.00 C ATOM 714 C LYS A 45 93.342 -16.245 2.407 1.00 0.00 C ATOM 715 O LYS A 45 94.464 -16.692 2.285 1.00 0.00 O ATOM 716 CB LYS A 45 92.507 -15.035 0.384 1.00 0.00 C ATOM 717 CG LYS A 45 90.992 -15.252 0.349 1.00 0.00 C ATOM 718 CD LYS A 45 90.516 -15.286 -1.105 1.00 0.00 C ATOM 719 CE LYS A 45 88.998 -15.466 -1.142 1.00 0.00 C ATOM 720 NZ LYS A 45 88.586 -15.945 -2.491 1.00 0.00 N ATOM 0 H LYS A 45 94.790 -14.053 1.085 1.00 0.00 H new ATOM 0 HA LYS A 45 92.161 -14.440 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 45 92.771 -14.148 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.016 -15.879 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.736 -16.186 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.486 -14.452 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.796 -14.362 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 45 91.003 -16.102 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.687 -16.181 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.504 -14.522 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.766 -15.396 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.374 -15.822 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.331 -16.952 -2.439 1.00 0.00 H new ATOM 734 N THR A 46 92.414 -16.913 3.031 1.00 0.00 N ATOM 735 CA THR A 46 92.726 -18.250 3.611 1.00 0.00 C ATOM 736 C THR A 46 91.521 -19.178 3.435 1.00 0.00 C ATOM 737 O THR A 46 90.433 -18.886 3.891 1.00 0.00 O ATOM 738 CB THR A 46 93.042 -18.098 5.102 1.00 0.00 C ATOM 739 OG1 THR A 46 93.630 -16.825 5.330 1.00 0.00 O ATOM 740 CG2 THR A 46 94.015 -19.195 5.539 1.00 0.00 C ATOM 0 H THR A 46 91.455 -16.593 3.165 1.00 0.00 H new ATOM 0 HA THR A 46 93.589 -18.676 3.099 1.00 0.00 H new ATOM 0 HB THR A 46 92.121 -18.185 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 46 93.832 -16.724 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.237 -19.083 6.600 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.564 -20.172 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.938 -19.113 4.965 1.00 0.00 H new ATOM 748 N VAL A 47 91.704 -20.294 2.778 1.00 0.00 N ATOM 749 CA VAL A 47 90.574 -21.235 2.576 1.00 0.00 C ATOM 750 C VAL A 47 91.017 -22.635 2.988 1.00 0.00 C ATOM 751 O VAL A 47 92.184 -22.887 3.189 1.00 0.00 O ATOM 752 CB VAL A 47 90.185 -21.254 1.103 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.674 -21.461 0.969 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.580 -19.927 0.452 1.00 0.00 C ATOM 0 H VAL A 47 92.592 -20.591 2.373 1.00 0.00 H new ATOM 0 HA VAL A 47 89.721 -20.918 3.176 1.00 0.00 H new ATOM 0 HB VAL A 47 90.705 -22.072 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 47 88.401 -21.474 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.395 -22.409 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.149 -20.647 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 47 90.301 -19.941 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 47 90.063 -19.108 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.657 -19.785 0.541 1.00 0.00 H new ATOM 764 N GLN A 48 90.097 -23.543 3.103 1.00 0.00 N ATOM 765 CA GLN A 48 90.461 -24.934 3.495 1.00 0.00 C ATOM 766 C GLN A 48 90.645 -25.787 2.238 1.00 0.00 C ATOM 767 O GLN A 48 89.814 -25.788 1.350 1.00 0.00 O ATOM 768 CB GLN A 48 89.347 -25.529 4.358 1.00 0.00 C ATOM 769 CG GLN A 48 89.841 -26.823 5.009 1.00 0.00 C ATOM 770 CD GLN A 48 88.693 -27.483 5.772 1.00 0.00 C ATOM 771 OE1 GLN A 48 87.840 -26.807 6.313 1.00 0.00 O ATOM 772 NE2 GLN A 48 88.634 -28.784 5.841 1.00 0.00 N ATOM 0 H GLN A 48 89.102 -23.385 2.942 1.00 0.00 H new ATOM 0 HA GLN A 48 91.391 -24.920 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.046 -24.815 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.467 -25.730 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 48 90.223 -27.503 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.666 -26.609 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 48 89.350 -29.352 5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 48 87.872 -29.234 6.349 1.00 0.00 H new ATOM 781 N LEU A 49 91.725 -26.514 2.156 1.00 0.00 N ATOM 782 CA LEU A 49 91.960 -27.367 0.956 1.00 0.00 C ATOM 783 C LEU A 49 91.495 -28.796 1.245 1.00 0.00 C ATOM 784 O LEU A 49 91.233 -29.155 2.376 1.00 0.00 O ATOM 785 CB LEU A 49 93.453 -27.376 0.620 1.00 0.00 C ATOM 786 CG LEU A 49 93.849 -26.034 -0.001 1.00 0.00 C ATOM 787 CD1 LEU A 49 95.335 -25.772 0.255 1.00 0.00 C ATOM 788 CD2 LEU A 49 93.589 -26.072 -1.509 1.00 0.00 C ATOM 0 H LEU A 49 92.455 -26.555 2.867 1.00 0.00 H new ATOM 0 HA LEU A 49 91.399 -26.966 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 49 94.038 -27.557 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 49 93.675 -28.188 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 49 93.257 -25.237 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.617 -24.817 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.520 -25.744 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 49 95.928 -26.569 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.871 -25.116 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 49 94.180 -26.869 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 49 92.530 -26.258 -1.691 1.00 0.00 H new ATOM 800 N ARG A 50 91.394 -29.615 0.234 1.00 0.00 N ATOM 801 CA ARG A 50 90.949 -31.018 0.455 1.00 0.00 C ATOM 802 C ARG A 50 91.737 -31.621 1.621 1.00 0.00 C ATOM 803 O ARG A 50 91.179 -32.230 2.511 1.00 0.00 O ATOM 804 CB ARG A 50 91.200 -31.842 -0.810 1.00 0.00 C ATOM 805 CG ARG A 50 92.704 -32.035 -1.006 1.00 0.00 C ATOM 806 CD ARG A 50 92.975 -32.515 -2.433 1.00 0.00 C ATOM 807 NE ARG A 50 91.943 -33.516 -2.823 1.00 0.00 N ATOM 808 CZ ARG A 50 92.177 -34.349 -3.800 1.00 0.00 C ATOM 809 NH1 ARG A 50 91.273 -35.225 -4.143 1.00 0.00 N ATOM 810 NH2 ARG A 50 93.318 -34.304 -4.435 1.00 0.00 N ATOM 0 H ARG A 50 91.601 -29.372 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 50 89.884 -31.029 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 50 90.706 -32.810 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 50 90.772 -31.337 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 50 93.229 -31.098 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 50 93.085 -32.761 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 50 92.957 -31.671 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 50 93.969 -32.957 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 50 91.053 -33.550 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 50 90.382 -35.259 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 50 91.457 -35.875 -4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 50 94.024 -33.619 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 50 93.503 -34.954 -5.199 1.00 0.00 H new ATOM 824 N ASN A 51 93.030 -31.448 1.625 1.00 0.00 N ATOM 825 CA ASN A 51 93.852 -32.005 2.737 1.00 0.00 C ATOM 826 C ASN A 51 93.674 -31.133 3.979 1.00 0.00 C ATOM 827 O ASN A 51 93.802 -31.592 5.097 1.00 0.00 O ATOM 828 CB ASN A 51 95.325 -32.018 2.326 1.00 0.00 C ATOM 829 CG ASN A 51 95.545 -33.072 1.241 1.00 0.00 C ATOM 830 OD1 ASN A 51 94.763 -33.992 1.104 1.00 0.00 O ATOM 831 ND2 ASN A 51 96.585 -32.980 0.457 1.00 0.00 N ATOM 0 H ASN A 51 93.553 -30.946 0.907 1.00 0.00 H new ATOM 0 HA ASN A 51 93.531 -33.023 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 51 95.619 -31.035 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 51 95.952 -32.235 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 51 96.740 -33.680 -0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 51 97.243 -32.208 0.570 1.00 0.00 H new ATOM 838 N GLY A 52 93.375 -29.876 3.792 1.00 0.00 N ATOM 839 CA GLY A 52 93.186 -28.973 4.962 1.00 0.00 C ATOM 840 C GLY A 52 94.470 -28.184 5.219 1.00 0.00 C ATOM 841 O GLY A 52 94.761 -27.802 6.336 1.00 0.00 O ATOM 0 H GLY A 52 93.254 -29.436 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 52 92.359 -28.288 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 52 92.924 -29.556 5.845 1.00 0.00 H new ATOM 845 N ASN A 53 95.242 -27.929 4.196 1.00 0.00 N ATOM 846 CA ASN A 53 96.503 -27.162 4.395 1.00 0.00 C ATOM 847 C ASN A 53 96.197 -25.671 4.364 1.00 0.00 C ATOM 848 O ASN A 53 97.076 -24.839 4.265 1.00 0.00 O ATOM 849 CB ASN A 53 97.498 -27.511 3.287 1.00 0.00 C ATOM 850 CG ASN A 53 98.926 -27.341 3.808 1.00 0.00 C ATOM 851 OD1 ASN A 53 99.768 -26.780 3.134 1.00 0.00 O ATOM 852 ND2 ASN A 53 99.236 -27.805 4.986 1.00 0.00 N ATOM 0 H ASN A 53 95.054 -28.218 3.236 1.00 0.00 H new ATOM 0 HA ASN A 53 96.939 -27.421 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 53 97.341 -28.537 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 53 97.336 -26.867 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 53 100.185 -27.697 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 53 98.529 -28.276 5.551 1.00 0.00 H new ATOM 859 N LEU A 54 94.950 -25.338 4.455 1.00 0.00 N ATOM 860 CA LEU A 54 94.540 -23.915 4.439 1.00 0.00 C ATOM 861 C LEU A 54 95.246 -23.194 3.294 1.00 0.00 C ATOM 862 O LEU A 54 96.399 -22.822 3.392 1.00 0.00 O ATOM 863 CB LEU A 54 94.897 -23.261 5.772 1.00 0.00 C ATOM 864 CG LEU A 54 93.730 -23.426 6.752 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.111 -22.827 8.107 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.487 -22.706 6.207 1.00 0.00 C ATOM 0 H LEU A 54 94.182 -26.003 4.542 1.00 0.00 H new ATOM 0 HA LEU A 54 93.462 -23.848 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.798 -23.717 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.114 -22.203 5.623 1.00 0.00 H new ATOM 0 HG LEU A 54 93.509 -24.487 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.281 -22.945 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.989 -23.342 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.336 -21.767 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.660 -22.826 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.706 -21.645 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.211 -23.135 5.243 1.00 0.00 H new ATOM 878 N GLN A 55 94.557 -22.997 2.207 1.00 0.00 N ATOM 879 CA GLN A 55 95.179 -22.302 1.042 1.00 0.00 C ATOM 880 C GLN A 55 95.412 -20.833 1.398 1.00 0.00 C ATOM 881 O GLN A 55 94.485 -20.098 1.669 1.00 0.00 O ATOM 882 CB GLN A 55 94.243 -22.391 -0.166 1.00 0.00 C ATOM 883 CG GLN A 55 94.757 -21.475 -1.278 1.00 0.00 C ATOM 884 CD GLN A 55 94.055 -21.821 -2.591 1.00 0.00 C ATOM 885 OE1 GLN A 55 93.417 -20.980 -3.193 1.00 0.00 O ATOM 886 NE2 GLN A 55 94.143 -23.034 -3.064 1.00 0.00 N ATOM 0 H GLN A 55 93.588 -23.287 2.072 1.00 0.00 H new ATOM 0 HA GLN A 55 96.130 -22.776 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.190 -23.419 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.233 -22.100 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 55 94.573 -20.432 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.835 -21.590 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 55 94.678 -23.741 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 55 93.677 -23.276 -3.938 1.00 0.00 H new ATOM 895 N TYR A 56 96.644 -20.399 1.407 1.00 0.00 N ATOM 896 CA TYR A 56 96.927 -18.980 1.757 1.00 0.00 C ATOM 897 C TYR A 56 97.106 -18.155 0.480 1.00 0.00 C ATOM 898 O TYR A 56 98.042 -18.346 -0.268 1.00 0.00 O ATOM 899 CB TYR A 56 98.208 -18.906 2.589 1.00 0.00 C ATOM 900 CG TYR A 56 97.994 -19.612 3.907 1.00 0.00 C ATOM 901 CD1 TYR A 56 98.258 -20.983 4.018 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.536 -18.896 5.019 1.00 0.00 C ATOM 903 CE1 TYR A 56 98.063 -21.637 5.240 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.339 -19.551 6.240 1.00 0.00 C ATOM 905 CZ TYR A 56 97.603 -20.920 6.352 1.00 0.00 C ATOM 906 OH TYR A 56 97.410 -21.566 7.556 1.00 0.00 O ATOM 0 H TYR A 56 97.464 -20.965 1.188 1.00 0.00 H new ATOM 0 HA TYR A 56 96.091 -18.580 2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 56 99.033 -19.367 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.482 -17.865 2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 56 98.612 -21.536 3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.335 -17.838 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 56 98.267 -22.694 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 56 96.983 -18.999 7.097 1.00 0.00 H new ATOM 0 HH TYR A 56 97.090 -20.924 8.224 1.00 0.00 H new ATOM 916 N ASP A 57 96.221 -17.228 0.239 1.00 0.00 N ATOM 917 CA ASP A 57 96.338 -16.369 -0.975 1.00 0.00 C ATOM 918 C ASP A 57 96.679 -14.949 -0.522 1.00 0.00 C ATOM 919 O ASP A 57 96.403 -14.570 0.598 1.00 0.00 O ATOM 920 CB ASP A 57 95.008 -16.370 -1.737 1.00 0.00 C ATOM 921 CG ASP A 57 95.264 -16.622 -3.224 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.491 -17.766 -3.581 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.231 -15.665 -3.981 1.00 0.00 O ATOM 0 H ASP A 57 95.417 -17.027 0.833 1.00 0.00 H new ATOM 0 HA ASP A 57 97.117 -16.749 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.349 -17.140 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.500 -15.415 -1.603 1.00 0.00 H new ATOM 928 N LEU A 58 97.287 -14.159 -1.365 1.00 0.00 N ATOM 929 CA LEU A 58 97.643 -12.775 -0.942 1.00 0.00 C ATOM 930 C LEU A 58 97.265 -11.767 -2.031 1.00 0.00 C ATOM 931 O LEU A 58 97.365 -12.039 -3.211 1.00 0.00 O ATOM 932 CB LEU A 58 99.149 -12.693 -0.677 1.00 0.00 C ATOM 933 CG LEU A 58 99.517 -13.616 0.488 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.915 -14.991 -0.051 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.694 -13.014 1.262 1.00 0.00 C ATOM 0 H LEU A 58 97.550 -14.408 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 58 97.092 -12.535 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.702 -12.981 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.432 -11.666 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 58 98.658 -13.722 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.176 -15.646 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.079 -15.421 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.773 -14.887 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.957 -13.670 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.551 -12.908 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.412 -12.035 1.649 1.00 0.00 H new ATOM 947 N HIS A 59 96.841 -10.599 -1.632 1.00 0.00 N ATOM 948 CA HIS A 59 96.461 -9.555 -2.623 1.00 0.00 C ATOM 949 C HIS A 59 96.913 -8.189 -2.105 1.00 0.00 C ATOM 950 O HIS A 59 96.594 -7.801 -0.999 1.00 0.00 O ATOM 951 CB HIS A 59 94.940 -9.550 -2.808 1.00 0.00 C ATOM 952 CG HIS A 59 94.412 -10.952 -2.691 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.684 -11.556 -3.708 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.494 -11.885 -1.687 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.361 -12.795 -3.297 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.832 -13.043 -2.073 1.00 0.00 N ATOM 0 H HIS A 59 96.741 -10.322 -0.655 1.00 0.00 H new ATOM 0 HA HIS A 59 96.939 -9.766 -3.579 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.475 -8.912 -2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.684 -9.134 -3.783 1.00 0.00 H new ATOM 0 HD1 HIS A 59 93.439 -11.136 -4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.996 -11.740 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.792 -13.501 -3.884 1.00 0.00 H new ATOM 964 N TYR A 60 97.654 -7.454 -2.890 1.00 0.00 N ATOM 965 CA TYR A 60 98.123 -6.115 -2.428 1.00 0.00 C ATOM 966 C TYR A 60 97.331 -5.018 -3.145 1.00 0.00 C ATOM 967 O TYR A 60 97.188 -5.030 -4.352 1.00 0.00 O ATOM 968 CB TYR A 60 99.617 -5.955 -2.736 1.00 0.00 C ATOM 969 CG TYR A 60 99.999 -6.861 -3.882 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.382 -6.310 -5.110 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.972 -8.249 -3.714 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.739 -7.149 -6.172 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.329 -9.090 -4.775 1.00 0.00 C ATOM 974 CZ TYR A 60 100.713 -8.539 -6.005 1.00 0.00 C ATOM 975 OH TYR A 60 101.064 -9.365 -7.052 1.00 0.00 O ATOM 0 H TYR A 60 97.954 -7.721 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 60 97.966 -6.031 -1.353 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.837 -4.918 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 60 100.209 -6.199 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.402 -5.238 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.676 -8.672 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 60 101.034 -6.724 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.308 -10.162 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 60 101.721 -8.911 -7.620 1.00 0.00 H new ATOM 985 N TRP A 61 96.821 -4.069 -2.409 1.00 0.00 N ATOM 986 CA TRP A 61 96.039 -2.968 -3.042 1.00 0.00 C ATOM 987 C TRP A 61 96.889 -1.695 -3.072 1.00 0.00 C ATOM 988 O TRP A 61 97.364 -1.231 -2.054 1.00 0.00 O ATOM 989 CB TRP A 61 94.767 -2.713 -2.232 1.00 0.00 C ATOM 990 CG TRP A 61 93.763 -2.011 -3.088 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.929 -2.617 -3.962 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.472 -0.586 -3.165 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.146 -1.656 -4.574 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.443 -0.387 -4.117 1.00 0.00 C ATOM 995 CE3 TRP A 61 93.998 0.544 -2.512 1.00 0.00 C ATOM 996 CZ2 TRP A 61 91.950 0.886 -4.406 1.00 0.00 C ATOM 997 CZ3 TRP A 61 93.505 1.827 -2.802 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.484 1.997 -3.747 1.00 0.00 C ATOM 0 H TRP A 61 96.912 -4.008 -1.395 1.00 0.00 H new ATOM 0 HA TRP A 61 95.769 -3.251 -4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.357 -3.657 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.997 -2.110 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.882 -3.679 -4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.436 -1.859 -5.277 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.786 0.424 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.162 1.012 -5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 93.915 2.687 -2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 61 92.110 2.986 -3.966 1.00 0.00 H new ATOM 1009 N LEU A 62 97.083 -1.127 -4.232 1.00 0.00 N ATOM 1010 CA LEU A 62 97.904 0.114 -4.330 1.00 0.00 C ATOM 1011 C LEU A 62 96.986 1.322 -4.539 1.00 0.00 C ATOM 1012 O LEU A 62 95.842 1.183 -4.922 1.00 0.00 O ATOM 1013 CB LEU A 62 98.869 -0.003 -5.512 1.00 0.00 C ATOM 1014 CG LEU A 62 99.378 -1.441 -5.614 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.363 -1.552 -6.779 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.084 -1.825 -4.312 1.00 0.00 C ATOM 0 H LEU A 62 96.708 -1.469 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 62 98.472 0.245 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.366 0.282 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.707 0.682 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 62 98.537 -2.113 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.726 -2.577 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.861 -1.278 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.204 -0.880 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.447 -2.850 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.925 -1.153 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.383 -1.746 -3.481 1.00 0.00 H new ATOM 1028 N GLY A 63 97.482 2.505 -4.292 1.00 0.00 N ATOM 1029 CA GLY A 63 96.642 3.724 -4.474 1.00 0.00 C ATOM 1030 C GLY A 63 97.254 4.612 -5.560 1.00 0.00 C ATOM 1031 O GLY A 63 98.407 4.468 -5.916 1.00 0.00 O ATOM 0 H GLY A 63 98.434 2.680 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.627 3.440 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.574 4.274 -3.536 1.00 0.00 H new ATOM 1035 N ASN A 64 96.490 5.528 -6.090 1.00 0.00 N ATOM 1036 CA ASN A 64 97.026 6.424 -7.154 1.00 0.00 C ATOM 1037 C ASN A 64 97.831 7.557 -6.514 1.00 0.00 C ATOM 1038 O ASN A 64 98.552 8.273 -7.180 1.00 0.00 O ATOM 1039 CB ASN A 64 95.864 7.011 -7.959 1.00 0.00 C ATOM 1040 CG ASN A 64 96.345 8.234 -8.744 1.00 0.00 C ATOM 1041 OD1 ASN A 64 96.534 8.167 -9.942 1.00 0.00 O ATOM 1042 ND2 ASN A 64 96.551 9.357 -8.112 1.00 0.00 N ATOM 0 H ASN A 64 95.517 5.695 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 64 97.675 5.852 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.468 6.261 -8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.051 7.293 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 64 96.871 10.179 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 64 96.392 9.413 -7.106 1.00 0.00 H new ATOM 1049 N GLU A 65 97.720 7.721 -5.224 1.00 0.00 N ATOM 1050 CA GLU A 65 98.481 8.796 -4.538 1.00 0.00 C ATOM 1051 C GLU A 65 99.622 8.152 -3.761 1.00 0.00 C ATOM 1052 O GLU A 65 100.092 8.671 -2.769 1.00 0.00 O ATOM 1053 CB GLU A 65 97.558 9.551 -3.580 1.00 0.00 C ATOM 1054 CG GLU A 65 96.121 9.481 -4.101 1.00 0.00 C ATOM 1055 CD GLU A 65 95.259 10.505 -3.361 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.118 10.372 -2.156 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.753 11.404 -4.011 1.00 0.00 O ATOM 0 H GLU A 65 97.131 7.152 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 65 98.878 9.502 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.617 9.116 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.876 10.590 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.101 9.680 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.719 8.478 -3.956 1.00 0.00 H new ATOM 1064 N CYS A 66 100.068 7.016 -4.218 1.00 0.00 N ATOM 1065 CA CYS A 66 101.173 6.313 -3.541 1.00 0.00 C ATOM 1066 C CYS A 66 102.210 5.930 -4.585 1.00 0.00 C ATOM 1067 O CYS A 66 102.098 4.937 -5.274 1.00 0.00 O ATOM 1068 CB CYS A 66 100.641 5.058 -2.872 1.00 0.00 C ATOM 1069 SG CYS A 66 100.236 5.414 -1.144 1.00 0.00 S ATOM 0 H CYS A 66 99.703 6.544 -5.045 1.00 0.00 H new ATOM 0 HA CYS A 66 101.621 6.958 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.755 4.702 -3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.384 4.263 -2.925 1.00 0.00 H new ATOM 0 HG CYS A 66 99.779 4.338 -0.575 1.00 0.00 H new ATOM 1075 N SER A 67 103.211 6.726 -4.693 1.00 0.00 N ATOM 1076 CA SER A 67 104.294 6.463 -5.682 1.00 0.00 C ATOM 1077 C SER A 67 104.774 5.016 -5.550 1.00 0.00 C ATOM 1078 O SER A 67 104.244 4.243 -4.775 1.00 0.00 O ATOM 1079 CB SER A 67 105.463 7.412 -5.423 1.00 0.00 C ATOM 1080 OG SER A 67 104.995 8.754 -5.463 1.00 0.00 O ATOM 0 H SER A 67 103.339 7.568 -4.132 1.00 0.00 H new ATOM 0 HA SER A 67 103.909 6.625 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.911 7.200 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.240 7.263 -6.172 1.00 0.00 H new ATOM 0 HG SER A 67 105.742 9.366 -5.296 1.00 0.00 H new ATOM 1086 N GLN A 68 105.773 4.646 -6.302 1.00 0.00 N ATOM 1087 CA GLN A 68 106.291 3.249 -6.223 1.00 0.00 C ATOM 1088 C GLN A 68 106.960 3.027 -4.866 1.00 0.00 C ATOM 1089 O GLN A 68 107.177 1.907 -4.449 1.00 0.00 O ATOM 1090 CB GLN A 68 107.313 3.022 -7.338 1.00 0.00 C ATOM 1091 CG GLN A 68 108.318 4.176 -7.355 1.00 0.00 C ATOM 1092 CD GLN A 68 109.513 3.801 -8.234 1.00 0.00 C ATOM 1093 OE1 GLN A 68 110.138 2.782 -8.026 1.00 0.00 O ATOM 1094 NE2 GLN A 68 109.856 4.590 -9.216 1.00 0.00 N ATOM 0 H GLN A 68 106.254 5.250 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 68 105.464 2.548 -6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.832 2.076 -7.182 1.00 0.00 H new ATOM 0 HB3 GLN A 68 106.807 2.953 -8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 68 107.843 5.080 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 68 108.653 4.395 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 68 109.330 5.446 -9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 68 110.650 4.350 -9.809 1.00 0.00 H new ATOM 1103 N ASP A 69 107.294 4.083 -4.175 1.00 0.00 N ATOM 1104 CA ASP A 69 107.952 3.924 -2.848 1.00 0.00 C ATOM 1105 C ASP A 69 106.999 3.222 -1.883 1.00 0.00 C ATOM 1106 O ASP A 69 107.300 2.173 -1.348 1.00 0.00 O ATOM 1107 CB ASP A 69 108.320 5.301 -2.292 1.00 0.00 C ATOM 1108 CG ASP A 69 109.000 5.137 -0.931 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.195 4.006 -0.521 1.00 0.00 O ATOM 1110 OD2 ASP A 69 109.315 6.148 -0.324 1.00 0.00 O ATOM 0 H ASP A 69 107.140 5.047 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 69 108.855 3.325 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.986 5.818 -2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.425 5.915 -2.192 1.00 0.00 H new ATOM 1115 N GLU A 70 105.850 3.790 -1.656 1.00 0.00 N ATOM 1116 CA GLU A 70 104.875 3.156 -0.726 1.00 0.00 C ATOM 1117 C GLU A 70 104.464 1.794 -1.282 1.00 0.00 C ATOM 1118 O GLU A 70 104.466 0.797 -0.584 1.00 0.00 O ATOM 1119 CB GLU A 70 103.641 4.052 -0.587 1.00 0.00 C ATOM 1120 CG GLU A 70 104.041 5.512 -0.808 1.00 0.00 C ATOM 1121 CD GLU A 70 105.304 5.824 -0.004 1.00 0.00 C ATOM 1122 OE1 GLU A 70 106.083 6.647 -0.458 1.00 0.00 O ATOM 1123 OE2 GLU A 70 105.473 5.235 1.051 1.00 0.00 O ATOM 0 H GLU A 70 105.542 4.668 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 70 105.334 3.026 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 70 102.882 3.758 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.200 3.931 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.218 5.695 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 70 103.230 6.172 -0.501 1.00 0.00 H new ATOM 1130 N SER A 71 104.117 1.742 -2.537 1.00 0.00 N ATOM 1131 CA SER A 71 103.713 0.446 -3.146 1.00 0.00 C ATOM 1132 C SER A 71 104.918 -0.494 -3.175 1.00 0.00 C ATOM 1133 O SER A 71 104.778 -1.700 -3.141 1.00 0.00 O ATOM 1134 CB SER A 71 103.215 0.685 -4.572 1.00 0.00 C ATOM 1135 OG SER A 71 104.332 0.773 -5.449 1.00 0.00 O ATOM 0 H SER A 71 104.096 2.543 -3.168 1.00 0.00 H new ATOM 0 HA SER A 71 102.914 -0.003 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.558 -0.128 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.629 1.603 -4.616 1.00 0.00 H new ATOM 0 HG SER A 71 104.023 1.004 -6.350 1.00 0.00 H new ATOM 1141 N GLY A 72 106.103 0.050 -3.232 1.00 0.00 N ATOM 1142 CA GLY A 72 107.317 -0.813 -3.258 1.00 0.00 C ATOM 1143 C GLY A 72 107.505 -1.458 -1.886 1.00 0.00 C ATOM 1144 O GLY A 72 107.999 -2.563 -1.770 1.00 0.00 O ATOM 0 H GLY A 72 106.282 1.054 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.215 -1.582 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.194 -0.220 -3.517 1.00 0.00 H new ATOM 1148 N ALA A 73 107.113 -0.778 -0.843 1.00 0.00 N ATOM 1149 CA ALA A 73 107.267 -1.352 0.522 1.00 0.00 C ATOM 1150 C ALA A 73 106.235 -2.462 0.724 1.00 0.00 C ATOM 1151 O ALA A 73 106.560 -3.564 1.118 1.00 0.00 O ATOM 1152 CB ALA A 73 107.053 -0.251 1.565 1.00 0.00 C ATOM 0 H ALA A 73 106.693 0.151 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 73 108.269 -1.765 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.166 -0.670 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.790 0.538 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.051 0.164 1.456 1.00 0.00 H new ATOM 1158 N ALA A 74 104.993 -2.177 0.452 1.00 0.00 N ATOM 1159 CA ALA A 74 103.939 -3.214 0.623 1.00 0.00 C ATOM 1160 C ALA A 74 104.320 -4.459 -0.181 1.00 0.00 C ATOM 1161 O ALA A 74 104.278 -5.568 0.314 1.00 0.00 O ATOM 1162 CB ALA A 74 102.601 -2.669 0.118 1.00 0.00 C ATOM 0 H ALA A 74 104.662 -1.271 0.119 1.00 0.00 H new ATOM 0 HA ALA A 74 103.849 -3.474 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.829 -3.428 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.332 -1.780 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.688 -2.411 -0.937 1.00 0.00 H new ATOM 1168 N ALA A 75 104.696 -4.283 -1.418 1.00 0.00 N ATOM 1169 CA ALA A 75 105.083 -5.454 -2.252 1.00 0.00 C ATOM 1170 C ALA A 75 106.221 -6.211 -1.564 1.00 0.00 C ATOM 1171 O ALA A 75 106.180 -7.417 -1.420 1.00 0.00 O ATOM 1172 CB ALA A 75 105.548 -4.969 -3.627 1.00 0.00 C ATOM 0 H ALA A 75 104.752 -3.379 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 75 104.226 -6.116 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.832 -5.826 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.738 -4.427 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.406 -4.308 -3.508 1.00 0.00 H new ATOM 1178 N ILE A 76 107.236 -5.513 -1.134 1.00 0.00 N ATOM 1179 CA ILE A 76 108.372 -6.193 -0.452 1.00 0.00 C ATOM 1180 C ILE A 76 107.829 -7.094 0.660 1.00 0.00 C ATOM 1181 O ILE A 76 108.210 -8.241 0.783 1.00 0.00 O ATOM 1182 CB ILE A 76 109.310 -5.143 0.149 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.142 -4.508 -0.967 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.242 -5.808 1.164 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.769 -3.206 -0.461 1.00 0.00 C ATOM 0 H ILE A 76 107.327 -4.501 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 76 108.923 -6.797 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 76 108.721 -4.374 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.922 -5.197 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.513 -4.308 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.909 -5.059 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.650 -6.262 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.832 -6.578 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.362 -2.754 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 76 109.981 -2.516 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.411 -3.419 0.393 1.00 0.00 H new ATOM 1197 N PHE A 77 106.939 -6.585 1.467 1.00 0.00 N ATOM 1198 CA PHE A 77 106.372 -7.414 2.565 1.00 0.00 C ATOM 1199 C PHE A 77 105.719 -8.663 1.969 1.00 0.00 C ATOM 1200 O PHE A 77 105.797 -9.741 2.524 1.00 0.00 O ATOM 1201 CB PHE A 77 105.320 -6.603 3.327 1.00 0.00 C ATOM 1202 CG PHE A 77 105.999 -5.765 4.385 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.126 -4.381 4.208 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.501 -6.371 5.543 1.00 0.00 C ATOM 1205 CE1 PHE A 77 106.755 -3.605 5.188 1.00 0.00 C ATOM 1206 CE2 PHE A 77 107.130 -5.594 6.523 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.256 -4.211 6.347 1.00 0.00 C ATOM 0 H PHE A 77 106.581 -5.631 1.413 1.00 0.00 H new ATOM 0 HA PHE A 77 107.168 -7.708 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.770 -5.962 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.594 -7.272 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 77 105.738 -3.913 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.403 -7.438 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 77 106.854 -2.538 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.518 -6.062 7.416 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.739 -3.612 7.104 1.00 0.00 H new ATOM 1217 N THR A 78 105.080 -8.526 0.839 1.00 0.00 N ATOM 1218 CA THR A 78 104.425 -9.706 0.207 1.00 0.00 C ATOM 1219 C THR A 78 105.497 -10.716 -0.209 1.00 0.00 C ATOM 1220 O THR A 78 105.376 -11.901 0.037 1.00 0.00 O ATOM 1221 CB THR A 78 103.643 -9.254 -1.028 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.033 -7.999 -0.767 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.567 -10.290 -1.359 1.00 0.00 C ATOM 0 H THR A 78 104.983 -7.649 0.327 1.00 0.00 H new ATOM 0 HA THR A 78 103.742 -10.170 0.918 1.00 0.00 H new ATOM 0 HB THR A 78 104.323 -9.157 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.533 -7.707 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.010 -9.968 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.038 -11.252 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.885 -10.389 -0.514 1.00 0.00 H new ATOM 1231 N VAL A 79 106.546 -10.259 -0.837 1.00 0.00 N ATOM 1232 CA VAL A 79 107.624 -11.194 -1.263 1.00 0.00 C ATOM 1233 C VAL A 79 108.136 -11.967 -0.049 1.00 0.00 C ATOM 1234 O VAL A 79 108.466 -13.134 -0.135 1.00 0.00 O ATOM 1235 CB VAL A 79 108.773 -10.398 -1.883 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.767 -11.361 -2.538 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.219 -9.442 -2.942 1.00 0.00 C ATOM 0 H VAL A 79 106.702 -9.279 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 79 107.229 -11.894 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 79 109.279 -9.826 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.586 -10.794 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.163 -12.043 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.261 -11.933 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.038 -8.875 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.713 -10.014 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.511 -8.755 -2.478 1.00 0.00 H new ATOM 1247 N GLN A 80 108.201 -11.327 1.085 1.00 0.00 N ATOM 1248 CA GLN A 80 108.687 -12.022 2.309 1.00 0.00 C ATOM 1249 C GLN A 80 107.709 -13.138 2.677 1.00 0.00 C ATOM 1250 O GLN A 80 108.097 -14.270 2.896 1.00 0.00 O ATOM 1251 CB GLN A 80 108.779 -11.021 3.463 1.00 0.00 C ATOM 1252 CG GLN A 80 109.933 -10.050 3.205 1.00 0.00 C ATOM 1253 CD GLN A 80 111.262 -10.741 3.517 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.368 -11.476 4.480 1.00 0.00 O ATOM 1255 NE2 GLN A 80 112.288 -10.539 2.736 1.00 0.00 N ATOM 0 H GLN A 80 107.938 -10.350 1.217 1.00 0.00 H new ATOM 0 HA GLN A 80 109.673 -12.447 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.842 -10.472 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.936 -11.548 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 80 109.918 -9.719 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.819 -9.161 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 80 112.200 -9.923 1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 80 113.177 -10.997 2.934 1.00 0.00 H new ATOM 1264 N LEU A 81 106.442 -12.833 2.743 1.00 0.00 N ATOM 1265 CA LEU A 81 105.443 -13.880 3.093 1.00 0.00 C ATOM 1266 C LEU A 81 105.620 -15.078 2.159 1.00 0.00 C ATOM 1267 O LEU A 81 105.465 -16.216 2.557 1.00 0.00 O ATOM 1268 CB LEU A 81 104.029 -13.311 2.939 1.00 0.00 C ATOM 1269 CG LEU A 81 103.573 -12.707 4.269 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.507 -11.639 4.010 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.982 -13.810 5.151 1.00 0.00 C ATOM 0 H LEU A 81 106.056 -11.905 2.570 1.00 0.00 H new ATOM 0 HA LEU A 81 105.592 -14.198 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 81 104.015 -12.550 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.341 -14.098 2.630 1.00 0.00 H new ATOM 0 HG LEU A 81 104.427 -12.253 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.184 -11.210 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 102.924 -10.853 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.653 -12.092 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 81 102.656 -13.382 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 81 102.129 -14.263 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.739 -14.572 5.338 1.00 0.00 H new ATOM 1283 N ASP A 82 105.949 -14.833 0.920 1.00 0.00 N ATOM 1284 CA ASP A 82 106.142 -15.961 -0.031 1.00 0.00 C ATOM 1285 C ASP A 82 107.316 -16.818 0.441 1.00 0.00 C ATOM 1286 O ASP A 82 107.174 -17.997 0.693 1.00 0.00 O ATOM 1287 CB ASP A 82 106.435 -15.413 -1.430 1.00 0.00 C ATOM 1288 CG ASP A 82 105.147 -14.857 -2.040 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.155 -13.707 -2.447 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.175 -15.592 -2.092 1.00 0.00 O ATOM 0 H ASP A 82 106.092 -13.903 0.527 1.00 0.00 H new ATOM 0 HA ASP A 82 105.237 -16.567 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 82 107.191 -14.630 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.839 -16.202 -2.064 1.00 0.00 H new ATOM 1295 N ASP A 83 108.476 -16.233 0.572 1.00 0.00 N ATOM 1296 CA ASP A 83 109.647 -17.024 1.040 1.00 0.00 C ATOM 1297 C ASP A 83 109.214 -17.873 2.232 1.00 0.00 C ATOM 1298 O ASP A 83 109.674 -18.982 2.419 1.00 0.00 O ATOM 1299 CB ASP A 83 110.775 -16.076 1.459 1.00 0.00 C ATOM 1300 CG ASP A 83 112.127 -16.757 1.232 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.753 -17.125 2.212 1.00 0.00 O ATOM 1302 OD2 ASP A 83 112.510 -16.900 0.083 1.00 0.00 O ATOM 0 H ASP A 83 108.662 -15.249 0.377 1.00 0.00 H new ATOM 0 HA ASP A 83 110.009 -17.667 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.720 -15.152 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.665 -15.804 2.509 1.00 0.00 H new ATOM 1307 N TYR A 84 108.320 -17.364 3.033 1.00 0.00 N ATOM 1308 CA TYR A 84 107.842 -18.144 4.205 1.00 0.00 C ATOM 1309 C TYR A 84 106.919 -19.259 3.710 1.00 0.00 C ATOM 1310 O TYR A 84 106.816 -20.307 4.313 1.00 0.00 O ATOM 1311 CB TYR A 84 107.076 -17.222 5.158 1.00 0.00 C ATOM 1312 CG TYR A 84 106.216 -18.047 6.085 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.820 -18.008 5.968 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.813 -18.853 7.062 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.024 -18.773 6.828 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.016 -19.618 7.922 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.622 -19.579 7.805 1.00 0.00 C ATOM 1318 OH TYR A 84 103.836 -20.333 8.651 1.00 0.00 O ATOM 0 H TYR A 84 107.900 -16.441 2.925 1.00 0.00 H new ATOM 0 HA TYR A 84 108.690 -18.576 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.776 -16.619 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.454 -16.531 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.358 -17.388 5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.889 -18.885 7.152 1.00 0.00 H new ATOM 0 HE1 TYR A 84 102.948 -18.742 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.477 -20.239 8.676 1.00 0.00 H new ATOM 0 HH TYR A 84 104.408 -20.835 9.268 1.00 0.00 H new ATOM 1328 N LEU A 85 106.253 -19.040 2.605 1.00 0.00 N ATOM 1329 CA LEU A 85 105.344 -20.082 2.061 1.00 0.00 C ATOM 1330 C LEU A 85 105.909 -20.605 0.741 1.00 0.00 C ATOM 1331 O LEU A 85 105.183 -21.047 -0.129 1.00 0.00 O ATOM 1332 CB LEU A 85 103.955 -19.481 1.823 1.00 0.00 C ATOM 1333 CG LEU A 85 103.133 -19.569 3.110 1.00 0.00 C ATOM 1334 CD1 LEU A 85 102.083 -18.455 3.124 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.432 -20.929 3.176 1.00 0.00 C ATOM 0 H LEU A 85 106.303 -18.181 2.058 1.00 0.00 H new ATOM 0 HA LEU A 85 105.262 -20.902 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 85 104.046 -18.442 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.449 -20.015 1.019 1.00 0.00 H new ATOM 0 HG LEU A 85 103.794 -19.457 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.498 -18.518 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.580 -17.486 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.423 -18.566 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.846 -20.992 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.772 -21.040 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 85 103.178 -21.724 3.167 1.00 0.00 H new ATOM 1347 N ASN A 86 107.202 -20.560 0.588 1.00 0.00 N ATOM 1348 CA ASN A 86 107.823 -21.055 -0.674 1.00 0.00 C ATOM 1349 C ASN A 86 107.010 -20.558 -1.870 1.00 0.00 C ATOM 1350 O ASN A 86 106.838 -21.257 -2.849 1.00 0.00 O ATOM 1351 CB ASN A 86 107.837 -22.586 -0.669 1.00 0.00 C ATOM 1352 CG ASN A 86 108.777 -23.091 -1.766 1.00 0.00 C ATOM 1353 OD1 ASN A 86 108.335 -23.634 -2.758 1.00 0.00 O ATOM 1354 ND2 ASN A 86 110.065 -22.934 -1.627 1.00 0.00 N ATOM 0 H ASN A 86 107.858 -20.202 1.282 1.00 0.00 H new ATOM 0 HA ASN A 86 108.845 -20.682 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.164 -22.954 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 86 106.830 -22.970 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 86 110.701 -23.267 -2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 86 110.436 -22.478 -0.794 1.00 0.00 H new ATOM 1361 N GLY A 87 106.507 -19.357 -1.799 1.00 0.00 N ATOM 1362 CA GLY A 87 105.705 -18.817 -2.933 1.00 0.00 C ATOM 1363 C GLY A 87 104.658 -19.850 -3.352 1.00 0.00 C ATOM 1364 O GLY A 87 104.305 -19.956 -4.510 1.00 0.00 O ATOM 0 H GLY A 87 106.616 -18.726 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.217 -17.888 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.357 -18.582 -3.774 1.00 0.00 H new ATOM 1368 N ARG A 88 104.155 -20.613 -2.419 1.00 0.00 N ATOM 1369 CA ARG A 88 103.132 -21.636 -2.763 1.00 0.00 C ATOM 1370 C ARG A 88 101.743 -21.008 -2.673 1.00 0.00 C ATOM 1371 O ARG A 88 100.769 -21.665 -2.360 1.00 0.00 O ATOM 1372 CB ARG A 88 103.231 -22.809 -1.786 1.00 0.00 C ATOM 1373 CG ARG A 88 102.567 -24.043 -2.399 1.00 0.00 C ATOM 1374 CD ARG A 88 102.258 -25.058 -1.298 1.00 0.00 C ATOM 1375 NE ARG A 88 101.488 -26.197 -1.874 1.00 0.00 N ATOM 1376 CZ ARG A 88 100.699 -26.905 -1.112 1.00 0.00 C ATOM 1377 NH1 ARG A 88 100.026 -27.901 -1.617 1.00 0.00 N ATOM 1378 NH2 ARG A 88 100.586 -26.617 0.157 1.00 0.00 N ATOM 0 H ARG A 88 104.410 -20.570 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 88 103.303 -21.999 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 88 104.276 -23.020 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 88 102.747 -22.553 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.649 -23.757 -2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 88 103.224 -24.489 -3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 88 103.184 -25.420 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 88 101.685 -24.583 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 88 101.578 -26.423 -2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 88 100.116 -28.127 -2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 88 99.410 -28.454 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 88 101.114 -25.839 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 88 99.970 -27.170 0.753 1.00 0.00 H new ATOM 1392 N ALA A 89 101.646 -19.738 -2.948 1.00 0.00 N ATOM 1393 CA ALA A 89 100.325 -19.052 -2.882 1.00 0.00 C ATOM 1394 C ALA A 89 100.095 -18.270 -4.176 1.00 0.00 C ATOM 1395 O ALA A 89 100.930 -18.258 -5.061 1.00 0.00 O ATOM 1396 CB ALA A 89 100.311 -18.089 -1.693 1.00 0.00 C ATOM 0 H ALA A 89 102.429 -19.142 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 89 99.534 -19.792 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.345 -17.586 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.478 -18.646 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.100 -17.347 -1.816 1.00 0.00 H new ATOM 1402 N VAL A 90 98.971 -17.617 -4.299 1.00 0.00 N ATOM 1403 CA VAL A 90 98.690 -16.838 -5.539 1.00 0.00 C ATOM 1404 C VAL A 90 98.714 -15.343 -5.219 1.00 0.00 C ATOM 1405 O VAL A 90 98.057 -14.880 -4.307 1.00 0.00 O ATOM 1406 CB VAL A 90 97.312 -17.221 -6.081 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.108 -16.584 -7.456 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.222 -18.744 -6.207 1.00 0.00 C ATOM 0 H VAL A 90 98.235 -17.589 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 90 99.450 -17.061 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 90 96.541 -16.864 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 90 96.126 -16.857 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.174 -15.500 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 90 97.878 -16.940 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.241 -19.020 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 90 97.994 -19.099 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.368 -19.199 -5.227 1.00 0.00 H new ATOM 1418 N GLN A 91 99.467 -14.581 -5.965 1.00 0.00 N ATOM 1419 CA GLN A 91 99.536 -13.114 -5.705 1.00 0.00 C ATOM 1420 C GLN A 91 98.436 -12.406 -6.498 1.00 0.00 C ATOM 1421 O GLN A 91 98.105 -12.794 -7.601 1.00 0.00 O ATOM 1422 CB GLN A 91 100.903 -12.588 -6.145 1.00 0.00 C ATOM 1423 CG GLN A 91 101.922 -12.814 -5.027 1.00 0.00 C ATOM 1424 CD GLN A 91 102.070 -14.315 -4.768 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.339 -14.728 -3.657 1.00 0.00 O ATOM 1426 NE2 GLN A 91 101.904 -15.154 -5.753 1.00 0.00 N ATOM 0 H GLN A 91 100.038 -14.911 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 91 99.397 -12.922 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.225 -13.097 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 91 100.837 -11.526 -6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.885 -12.385 -5.306 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.599 -12.307 -4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 91 101.678 -14.808 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 91 102.000 -16.156 -5.591 1.00 0.00 H new ATOM 1435 N HIS A 92 97.862 -11.370 -5.944 1.00 0.00 N ATOM 1436 CA HIS A 92 96.784 -10.640 -6.671 1.00 0.00 C ATOM 1437 C HIS A 92 97.069 -9.137 -6.636 1.00 0.00 C ATOM 1438 O HIS A 92 96.924 -8.490 -5.618 1.00 0.00 O ATOM 1439 CB HIS A 92 95.439 -10.917 -5.996 1.00 0.00 C ATOM 1440 CG HIS A 92 94.916 -12.252 -6.443 1.00 0.00 C ATOM 1441 ND1 HIS A 92 93.902 -12.373 -7.384 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.249 -13.536 -6.084 1.00 0.00 C ATOM 1443 CE1 HIS A 92 93.664 -13.686 -7.558 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.457 -14.435 -6.791 1.00 0.00 N ATOM 0 H HIS A 92 98.093 -10.999 -5.022 1.00 0.00 H new ATOM 0 HA HIS A 92 96.751 -10.979 -7.706 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.555 -10.905 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.726 -10.133 -6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.008 -13.805 -5.364 1.00 0.00 H new ATOM 0 HE1 HIS A 92 92.923 -14.084 -8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.478 -15.453 -6.735 1.00 0.00 H new ATOM 1452 N ARG A 93 97.470 -8.574 -7.744 1.00 0.00 N ATOM 1453 CA ARG A 93 97.759 -7.112 -7.775 1.00 0.00 C ATOM 1454 C ARG A 93 96.466 -6.345 -8.056 1.00 0.00 C ATOM 1455 O ARG A 93 95.979 -6.321 -9.168 1.00 0.00 O ATOM 1456 CB ARG A 93 98.777 -6.818 -8.879 1.00 0.00 C ATOM 1457 CG ARG A 93 99.223 -5.358 -8.786 1.00 0.00 C ATOM 1458 CD ARG A 93 100.411 -5.125 -9.720 1.00 0.00 C ATOM 1459 NE ARG A 93 100.753 -3.675 -9.739 1.00 0.00 N ATOM 1460 CZ ARG A 93 101.796 -3.258 -10.403 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.095 -1.988 -10.418 1.00 0.00 N ATOM 1462 NH2 ARG A 93 102.540 -4.112 -11.050 1.00 0.00 N ATOM 0 H ARG A 93 97.610 -9.063 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 93 98.166 -6.800 -6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.638 -7.479 -8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 93 98.336 -7.013 -9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 93 98.399 -4.697 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.501 -5.117 -7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.270 -5.707 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.168 -5.465 -10.727 1.00 0.00 H new ATOM 0 HE ARG A 93 100.171 -3.008 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.513 -1.321 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.910 -1.662 -10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 93 102.306 -5.105 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 93 103.356 -3.787 -11.569 1.00 0.00 H new ATOM 1476 N GLU A 94 95.906 -5.720 -7.055 1.00 0.00 N ATOM 1477 CA GLU A 94 94.640 -4.959 -7.265 1.00 0.00 C ATOM 1478 C GLU A 94 94.914 -3.457 -7.147 1.00 0.00 C ATOM 1479 O GLU A 94 95.690 -3.020 -6.321 1.00 0.00 O ATOM 1480 CB GLU A 94 93.616 -5.375 -6.208 1.00 0.00 C ATOM 1481 CG GLU A 94 93.076 -6.767 -6.539 1.00 0.00 C ATOM 1482 CD GLU A 94 92.596 -7.449 -5.257 1.00 0.00 C ATOM 1483 OE1 GLU A 94 92.891 -8.621 -5.087 1.00 0.00 O ATOM 1484 OE2 GLU A 94 91.941 -6.788 -4.468 1.00 0.00 O ATOM 0 H GLU A 94 96.270 -5.703 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 94 94.249 -5.176 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.078 -5.378 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 94 92.799 -4.655 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 94 92.255 -6.690 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 94 93.853 -7.367 -7.013 1.00 0.00 H new ATOM 1491 N VAL A 95 94.277 -2.665 -7.966 1.00 0.00 N ATOM 1492 CA VAL A 95 94.491 -1.195 -7.904 1.00 0.00 C ATOM 1493 C VAL A 95 93.171 -0.482 -8.210 1.00 0.00 C ATOM 1494 O VAL A 95 92.248 -1.068 -8.739 1.00 0.00 O ATOM 1495 CB VAL A 95 95.543 -0.793 -8.938 1.00 0.00 C ATOM 1496 CG1 VAL A 95 95.979 0.652 -8.688 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.756 -1.718 -8.816 1.00 0.00 C ATOM 0 H VAL A 95 93.615 -2.976 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 95 94.836 -0.913 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 95 95.119 -0.877 -9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.729 0.938 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.116 1.312 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 95 96.403 0.736 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.507 -1.432 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.179 -1.633 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.447 -2.748 -8.993 1.00 0.00 H new ATOM 1507 N GLN A 96 93.073 0.777 -7.882 1.00 0.00 N ATOM 1508 CA GLN A 96 91.808 1.518 -8.156 1.00 0.00 C ATOM 1509 C GLN A 96 91.482 1.435 -9.650 1.00 0.00 C ATOM 1510 O GLN A 96 92.252 1.861 -10.489 1.00 0.00 O ATOM 1511 CB GLN A 96 91.971 2.983 -7.748 1.00 0.00 C ATOM 1512 CG GLN A 96 93.353 3.485 -8.174 1.00 0.00 C ATOM 1513 CD GLN A 96 93.305 4.999 -8.382 1.00 0.00 C ATOM 1514 OE1 GLN A 96 93.081 5.746 -7.450 1.00 0.00 O ATOM 1515 NE2 GLN A 96 93.505 5.488 -9.575 1.00 0.00 N ATOM 0 H GLN A 96 93.811 1.324 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 96 90.996 1.073 -7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.194 3.589 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 96 91.852 3.086 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 96 94.093 3.235 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 96 93.663 2.991 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.693 4.862 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 96 93.473 6.496 -9.725 1.00 0.00 H new ATOM 1524 N GLY A 97 90.347 0.890 -9.989 1.00 0.00 N ATOM 1525 CA GLY A 97 89.973 0.782 -11.428 1.00 0.00 C ATOM 1526 C GLY A 97 90.682 -0.421 -12.052 1.00 0.00 C ATOM 1527 O GLY A 97 90.763 -0.549 -13.257 1.00 0.00 O ATOM 0 H GLY A 97 89.662 0.515 -9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.893 0.672 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.250 1.695 -11.956 1.00 0.00 H new ATOM 1531 N PHE A 98 91.198 -1.304 -11.241 1.00 0.00 N ATOM 1532 CA PHE A 98 91.902 -2.498 -11.790 1.00 0.00 C ATOM 1533 C PHE A 98 91.580 -3.720 -10.928 1.00 0.00 C ATOM 1534 O PHE A 98 92.207 -4.755 -11.046 1.00 0.00 O ATOM 1535 CB PHE A 98 93.412 -2.248 -11.780 1.00 0.00 C ATOM 1536 CG PHE A 98 94.070 -3.087 -12.849 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.983 -4.087 -12.491 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.768 -2.864 -14.198 1.00 0.00 C ATOM 1539 CE1 PHE A 98 95.592 -4.865 -13.484 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.378 -3.641 -15.189 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.290 -4.641 -14.832 1.00 0.00 C ATOM 0 H PHE A 98 91.163 -1.250 -10.223 1.00 0.00 H new ATOM 0 HA PHE A 98 91.571 -2.678 -12.813 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.617 -1.192 -11.954 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.826 -2.496 -10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 98 95.217 -4.258 -11.451 1.00 0.00 H new ATOM 0 HD2 PHE A 98 93.064 -2.092 -14.474 1.00 0.00 H new ATOM 0 HE1 PHE A 98 96.295 -5.638 -13.209 1.00 0.00 H new ATOM 0 HE2 PHE A 98 94.145 -3.469 -16.229 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.761 -5.240 -15.597 1.00 0.00 H new ATOM 1551 N GLU A 99 90.611 -3.610 -10.062 1.00 0.00 N ATOM 1552 CA GLU A 99 90.251 -4.767 -9.194 1.00 0.00 C ATOM 1553 C GLU A 99 90.280 -6.055 -10.021 1.00 0.00 C ATOM 1554 O GLU A 99 89.830 -6.090 -11.149 1.00 0.00 O ATOM 1555 CB GLU A 99 88.847 -4.559 -8.623 1.00 0.00 C ATOM 1556 CG GLU A 99 88.757 -3.172 -7.982 1.00 0.00 C ATOM 1557 CD GLU A 99 88.415 -2.135 -9.053 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.497 -2.473 -10.223 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.078 -1.022 -8.686 1.00 0.00 O ATOM 0 H GLU A 99 90.052 -2.769 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 99 90.968 -4.844 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.103 -4.655 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.626 -5.328 -7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 99 87.996 -3.169 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.703 -2.918 -7.505 1.00 0.00 H new ATOM 1566 N SER A 100 90.805 -7.113 -9.468 1.00 0.00 N ATOM 1567 CA SER A 100 90.864 -8.396 -10.224 1.00 0.00 C ATOM 1568 C SER A 100 89.458 -8.991 -10.326 1.00 0.00 C ATOM 1569 O SER A 100 88.491 -8.408 -9.879 1.00 0.00 O ATOM 1570 CB SER A 100 91.779 -9.377 -9.492 1.00 0.00 C ATOM 1571 OG SER A 100 93.132 -9.100 -9.833 1.00 0.00 O ATOM 0 H SER A 100 91.195 -7.145 -8.526 1.00 0.00 H new ATOM 0 HA SER A 100 91.255 -8.211 -11.224 1.00 0.00 H new ATOM 0 HB2 SER A 100 91.638 -9.289 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 100 91.525 -10.401 -9.764 1.00 0.00 H new ATOM 0 HG SER A 100 93.722 -9.726 -9.364 1.00 0.00 H new ATOM 1577 N ALA A 101 89.336 -10.150 -10.916 1.00 0.00 N ATOM 1578 CA ALA A 101 87.995 -10.782 -11.050 1.00 0.00 C ATOM 1579 C ALA A 101 87.584 -11.398 -9.710 1.00 0.00 C ATOM 1580 O ALA A 101 86.631 -10.975 -9.087 1.00 0.00 O ATOM 1581 CB ALA A 101 88.049 -11.874 -12.120 1.00 0.00 C ATOM 0 H ALA A 101 90.109 -10.686 -11.311 1.00 0.00 H new ATOM 0 HA ALA A 101 87.265 -10.026 -11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.067 -12.337 -12.218 1.00 0.00 H new ATOM 0 HB2 ALA A 101 88.340 -11.434 -13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 101 88.779 -12.630 -11.832 1.00 0.00 H new ATOM 1587 N THR A 102 88.296 -12.398 -9.263 1.00 0.00 N ATOM 1588 CA THR A 102 87.943 -13.038 -7.964 1.00 0.00 C ATOM 1589 C THR A 102 87.719 -11.956 -6.908 1.00 0.00 C ATOM 1590 O THR A 102 86.866 -12.077 -6.051 1.00 0.00 O ATOM 1591 CB THR A 102 89.085 -13.955 -7.520 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.132 -15.095 -8.368 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.852 -14.401 -6.074 1.00 0.00 C ATOM 0 H THR A 102 89.104 -12.798 -9.740 1.00 0.00 H new ATOM 0 HA THR A 102 87.032 -13.624 -8.083 1.00 0.00 H new ATOM 0 HB THR A 102 90.030 -13.415 -7.583 1.00 0.00 H new ATOM 0 HG1 THR A 102 89.864 -15.682 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.666 -15.054 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.817 -13.526 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 102 87.907 -14.941 -6.007 1.00 0.00 H new ATOM 1601 N PHE A 103 88.479 -10.899 -6.961 1.00 0.00 N ATOM 1602 CA PHE A 103 88.313 -9.809 -5.962 1.00 0.00 C ATOM 1603 C PHE A 103 86.965 -9.117 -6.182 1.00 0.00 C ATOM 1604 O PHE A 103 86.215 -8.887 -5.255 1.00 0.00 O ATOM 1605 CB PHE A 103 89.445 -8.789 -6.126 1.00 0.00 C ATOM 1606 CG PHE A 103 89.839 -8.243 -4.774 1.00 0.00 C ATOM 1607 CD1 PHE A 103 90.652 -9.000 -3.923 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.390 -6.979 -4.372 1.00 0.00 C ATOM 1609 CE1 PHE A 103 91.018 -8.495 -2.670 1.00 0.00 C ATOM 1610 CE2 PHE A 103 89.756 -6.473 -3.118 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.570 -7.231 -2.268 1.00 0.00 C ATOM 0 H PHE A 103 89.210 -10.743 -7.655 1.00 0.00 H new ATOM 0 HA PHE A 103 88.346 -10.229 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.305 -9.259 -6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 103 89.124 -7.976 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 103 90.997 -9.975 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 103 88.762 -6.395 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 103 91.645 -9.080 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 103 89.410 -5.498 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 103 90.853 -6.840 -1.302 1.00 0.00 H new ATOM 1621 N LEU A 104 86.651 -8.784 -7.405 1.00 0.00 N ATOM 1622 CA LEU A 104 85.351 -8.109 -7.684 1.00 0.00 C ATOM 1623 C LEU A 104 84.201 -9.078 -7.401 1.00 0.00 C ATOM 1624 O LEU A 104 83.083 -8.672 -7.150 1.00 0.00 O ATOM 1625 CB LEU A 104 85.303 -7.682 -9.153 1.00 0.00 C ATOM 1626 CG LEU A 104 86.211 -6.468 -9.366 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.271 -6.132 -10.858 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.653 -5.266 -8.596 1.00 0.00 C ATOM 0 H LEU A 104 87.238 -8.950 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 104 85.254 -7.231 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.624 -8.505 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.280 -7.438 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 104 87.213 -6.698 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.917 -5.268 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.670 -6.985 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.269 -5.904 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.301 -4.403 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.651 -5.036 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 104 85.610 -5.503 -7.533 1.00 0.00 H new ATOM 1640 N GLY A 105 84.465 -10.355 -7.438 1.00 0.00 N ATOM 1641 CA GLY A 105 83.385 -11.348 -7.172 1.00 0.00 C ATOM 1642 C GLY A 105 83.389 -11.726 -5.691 1.00 0.00 C ATOM 1643 O GLY A 105 82.389 -12.151 -5.149 1.00 0.00 O ATOM 0 H GLY A 105 85.381 -10.754 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.417 -10.930 -7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.535 -12.237 -7.785 1.00 0.00 H new ATOM 1647 N TYR A 106 84.504 -11.576 -5.031 1.00 0.00 N ATOM 1648 CA TYR A 106 84.567 -11.930 -3.587 1.00 0.00 C ATOM 1649 C TYR A 106 84.129 -10.729 -2.747 1.00 0.00 C ATOM 1650 O TYR A 106 83.533 -10.877 -1.699 1.00 0.00 O ATOM 1651 CB TYR A 106 86.000 -12.317 -3.217 1.00 0.00 C ATOM 1652 CG TYR A 106 86.030 -12.837 -1.800 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.064 -14.215 -1.561 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.020 -11.940 -0.724 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.089 -14.699 -0.246 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.045 -12.422 0.590 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.080 -13.802 0.829 1.00 0.00 C ATOM 1658 OH TYR A 106 86.105 -14.277 2.124 1.00 0.00 O ATOM 0 H TYR A 106 85.374 -11.223 -5.430 1.00 0.00 H new ATOM 0 HA TYR A 106 83.903 -12.772 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.371 -13.078 -3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.658 -11.453 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.071 -14.906 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.993 -10.876 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.115 -15.763 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.037 -11.730 1.419 1.00 0.00 H new ATOM 0 HH TYR A 106 86.095 -13.523 2.749 1.00 0.00 H new ATOM 1668 N PHE A 107 84.422 -9.542 -3.197 1.00 0.00 N ATOM 1669 CA PHE A 107 84.027 -8.333 -2.425 1.00 0.00 C ATOM 1670 C PHE A 107 82.638 -7.871 -2.873 1.00 0.00 C ATOM 1671 O PHE A 107 82.489 -7.208 -3.880 1.00 0.00 O ATOM 1672 CB PHE A 107 85.040 -7.214 -2.671 1.00 0.00 C ATOM 1673 CG PHE A 107 86.296 -7.490 -1.878 1.00 0.00 C ATOM 1674 CD1 PHE A 107 86.629 -6.674 -0.792 1.00 0.00 C ATOM 1675 CD2 PHE A 107 87.125 -8.562 -2.230 1.00 0.00 C ATOM 1676 CE1 PHE A 107 87.793 -6.930 -0.055 1.00 0.00 C ATOM 1677 CE2 PHE A 107 88.288 -8.817 -1.494 1.00 0.00 C ATOM 1678 CZ PHE A 107 88.622 -8.001 -0.407 1.00 0.00 C ATOM 0 H PHE A 107 84.919 -9.357 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 107 84.005 -8.574 -1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.275 -7.148 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 107 84.616 -6.254 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 107 85.989 -5.847 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 107 86.867 -9.192 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 107 88.050 -6.301 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 107 88.928 -9.644 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 107 89.520 -8.198 0.160 1.00 0.00 H new ATOM 1688 N LYS A 108 81.621 -8.212 -2.131 1.00 0.00 N ATOM 1689 CA LYS A 108 80.243 -7.789 -2.513 1.00 0.00 C ATOM 1690 C LYS A 108 79.840 -6.567 -1.686 1.00 0.00 C ATOM 1691 O LYS A 108 78.799 -5.977 -1.900 1.00 0.00 O ATOM 1692 CB LYS A 108 79.265 -8.934 -2.244 1.00 0.00 C ATOM 1693 CG LYS A 108 79.666 -10.154 -3.076 1.00 0.00 C ATOM 1694 CD LYS A 108 79.107 -11.423 -2.424 1.00 0.00 C ATOM 1695 CE LYS A 108 77.581 -11.336 -2.365 1.00 0.00 C ATOM 1696 NZ LYS A 108 77.043 -11.090 -3.732 1.00 0.00 N ATOM 0 H LYS A 108 81.684 -8.765 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 108 80.220 -7.535 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.267 -9.187 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 108 78.250 -8.626 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 108 79.284 -10.056 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 108 80.752 -10.217 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 108 79.410 -12.301 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 108 79.514 -11.538 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 108 77.169 -12.261 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 108 77.278 -10.533 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 76.127 -11.572 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 76.915 -10.068 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 77.711 -11.458 -4.439 1.00 0.00 H new ATOM 1710 N SER A 109 80.654 -6.183 -0.742 1.00 0.00 N ATOM 1711 CA SER A 109 80.316 -5.000 0.099 1.00 0.00 C ATOM 1712 C SER A 109 80.605 -3.718 -0.686 1.00 0.00 C ATOM 1713 O SER A 109 80.796 -2.662 -0.117 1.00 0.00 O ATOM 1714 CB SER A 109 81.163 -5.020 1.371 1.00 0.00 C ATOM 1715 OG SER A 109 80.667 -6.022 2.250 1.00 0.00 O ATOM 0 H SER A 109 81.539 -6.637 -0.516 1.00 0.00 H new ATOM 0 HA SER A 109 79.260 -5.033 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 109 82.206 -5.220 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 109 81.132 -4.045 1.858 1.00 0.00 H new ATOM 0 HG SER A 109 81.209 -6.039 3.066 1.00 0.00 H new ATOM 1721 N GLY A 110 80.638 -3.803 -1.987 1.00 0.00 N ATOM 1722 CA GLY A 110 80.916 -2.588 -2.806 1.00 0.00 C ATOM 1723 C GLY A 110 82.129 -1.852 -2.238 1.00 0.00 C ATOM 1724 O GLY A 110 81.996 -0.881 -1.517 1.00 0.00 O ATOM 0 H GLY A 110 80.485 -4.660 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 110 81.102 -2.871 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 110 80.047 -1.931 -2.806 1.00 0.00 H new ATOM 1728 N LEU A 111 83.311 -2.301 -2.557 1.00 0.00 N ATOM 1729 CA LEU A 111 84.533 -1.625 -2.034 1.00 0.00 C ATOM 1730 C LEU A 111 84.357 -0.109 -2.131 1.00 0.00 C ATOM 1731 O LEU A 111 84.201 0.441 -3.202 1.00 0.00 O ATOM 1732 CB LEU A 111 85.747 -2.052 -2.863 1.00 0.00 C ATOM 1733 CG LEU A 111 85.610 -3.527 -3.252 1.00 0.00 C ATOM 1734 CD1 LEU A 111 84.873 -3.637 -4.590 1.00 0.00 C ATOM 1735 CD2 LEU A 111 87.000 -4.151 -3.383 1.00 0.00 C ATOM 0 H LEU A 111 83.485 -3.107 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 111 84.687 -1.907 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.824 -1.435 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 111 86.662 -1.900 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 111 85.046 -4.054 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 111 84.776 -4.687 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 111 83.882 -3.193 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.436 -3.110 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 111 86.903 -5.201 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.565 -3.624 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 111 87.525 -4.074 -2.431 1.00 0.00 H new ATOM 1747 N LYS A 112 84.381 0.571 -1.017 1.00 0.00 N ATOM 1748 CA LYS A 112 84.216 2.050 -1.042 1.00 0.00 C ATOM 1749 C LYS A 112 85.557 2.708 -1.375 1.00 0.00 C ATOM 1750 O LYS A 112 86.547 2.496 -0.702 1.00 0.00 O ATOM 1751 CB LYS A 112 83.734 2.534 0.327 1.00 0.00 C ATOM 1752 CG LYS A 112 82.223 2.320 0.442 1.00 0.00 C ATOM 1753 CD LYS A 112 81.743 2.799 1.814 1.00 0.00 C ATOM 1754 CE LYS A 112 80.216 2.733 1.873 1.00 0.00 C ATOM 1755 NZ LYS A 112 79.642 3.530 0.753 1.00 0.00 N ATOM 0 H LYS A 112 84.508 0.164 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 112 83.481 2.320 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 112 84.250 1.991 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.973 3.590 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 112 81.706 2.866 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.983 1.265 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.175 2.178 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.081 3.820 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 112 79.883 1.697 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 112 79.861 3.120 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 78.807 4.051 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.354 4.204 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.363 2.892 -0.020 1.00 0.00 H new ATOM 1769 N TYR A 113 85.597 3.504 -2.407 1.00 0.00 N ATOM 1770 CA TYR A 113 86.874 4.176 -2.781 1.00 0.00 C ATOM 1771 C TYR A 113 86.917 5.573 -2.160 1.00 0.00 C ATOM 1772 O TYR A 113 86.203 6.466 -2.571 1.00 0.00 O ATOM 1773 CB TYR A 113 86.963 4.290 -4.303 1.00 0.00 C ATOM 1774 CG TYR A 113 86.381 3.049 -4.937 1.00 0.00 C ATOM 1775 CD1 TYR A 113 85.035 3.024 -5.322 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.188 1.921 -5.137 1.00 0.00 C ATOM 1777 CE1 TYR A 113 84.496 1.872 -5.907 1.00 0.00 C ATOM 1778 CE2 TYR A 113 86.648 0.771 -5.723 1.00 0.00 C ATOM 1779 CZ TYR A 113 85.303 0.745 -6.109 1.00 0.00 C ATOM 1780 OH TYR A 113 84.771 -0.389 -6.686 1.00 0.00 O ATOM 0 H TYR A 113 84.801 3.719 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 113 87.715 3.589 -2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 113 86.423 5.173 -4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 113 88.002 4.414 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 113 84.413 3.893 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.226 1.939 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 113 83.457 1.852 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.270 -0.098 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 113 85.465 -1.078 -6.755 1.00 0.00 H new ATOM 1790 N LYS A 114 87.748 5.768 -1.172 1.00 0.00 N ATOM 1791 CA LYS A 114 87.839 7.108 -0.522 1.00 0.00 C ATOM 1792 C LYS A 114 89.192 7.742 -0.844 1.00 0.00 C ATOM 1793 O LYS A 114 90.211 7.080 -0.860 1.00 0.00 O ATOM 1794 CB LYS A 114 87.699 6.949 0.993 1.00 0.00 C ATOM 1795 CG LYS A 114 86.362 6.279 1.316 1.00 0.00 C ATOM 1796 CD LYS A 114 86.260 6.030 2.823 1.00 0.00 C ATOM 1797 CE LYS A 114 85.589 7.227 3.500 1.00 0.00 C ATOM 1798 NZ LYS A 114 86.464 8.426 3.377 1.00 0.00 N ATOM 0 H LYS A 114 88.369 5.057 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 114 87.040 7.748 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 114 88.522 6.350 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 114 87.756 7.923 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 114 85.538 6.912 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 114 86.277 5.336 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 114 85.686 5.123 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 114 87.253 5.872 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.621 7.422 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 114 85.403 7.006 4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 86.242 9.098 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 87.461 8.137 3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 86.302 8.881 2.456 1.00 0.00 H new ATOM 1812 N LYS A 115 89.212 9.022 -1.100 1.00 0.00 N ATOM 1813 CA LYS A 115 90.501 9.700 -1.421 1.00 0.00 C ATOM 1814 C LYS A 115 90.563 11.045 -0.693 1.00 0.00 C ATOM 1815 O LYS A 115 89.585 11.759 -0.605 1.00 0.00 O ATOM 1816 CB LYS A 115 90.593 9.933 -2.930 1.00 0.00 C ATOM 1817 CG LYS A 115 89.235 10.397 -3.460 1.00 0.00 C ATOM 1818 CD LYS A 115 89.328 10.631 -4.968 1.00 0.00 C ATOM 1819 CE LYS A 115 87.930 10.889 -5.533 1.00 0.00 C ATOM 1820 NZ LYS A 115 87.976 10.825 -7.022 1.00 0.00 N ATOM 0 H LYS A 115 88.391 9.628 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 115 91.332 9.073 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 115 91.355 10.682 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 115 90.897 9.015 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.473 9.648 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 115 88.931 11.315 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 115 89.978 11.481 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.774 9.763 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 115 87.228 10.149 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 115 87.571 11.867 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 87.026 11.000 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 88.633 11.547 -7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 88.301 9.883 -7.319 1.00 0.00 H new