USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 76 HIS : no HE2:sc= -0.685 K(o=-2.4,f=-1.2) USER MOD Set 1.2: A 82 ASN : amide:sc= -1.68! K(o=-2.4!,f=-0.86) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0371 (180deg=-0.252) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0221 (180deg=-0.111) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0705) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 8 ASN : amide:sc= -0.0635 X(o=-0.064,f=-0.33) USER MOD Single : A 9 ASN : amide:sc= -0.663 X(o=-0.66,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0.736 (180deg=0.731) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0.309 (180deg=0.023) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -174:sc= -0.752 (180deg=-0.937) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -175:sc= -0.132 (180deg=-0.243) USER MOD Single : A 28 GLN : amide:sc= -0.091 X(o=-0.091,f=-0.11) USER MOD Single : A 34 GLN : amide:sc= -0.198 K(o=-0.2,f=-3.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.062) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0475) USER MOD Single : A 45 TYR OH : rot -130:sc= 0.764 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.0361 (180deg=-0.171) USER MOD Single : A 53 GLN : amide:sc= 0.0275 K(o=0.027,f=-3.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.5! K(o=-2.5!,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.715 2.765 5.494 1.00 0.00 N ATOM 2 CA MET A 1 3.371 2.503 4.188 1.00 0.00 C ATOM 3 C MET A 1 4.211 3.717 3.771 1.00 0.00 C ATOM 4 O MET A 1 3.911 4.856 4.156 1.00 0.00 O ATOM 5 CB MET A 1 2.310 2.188 3.092 1.00 0.00 C ATOM 6 CG MET A 1 1.467 0.930 3.347 1.00 0.00 C ATOM 7 SD MET A 1 0.146 0.697 2.122 1.00 0.00 S ATOM 8 CE MET A 1 1.066 0.539 0.588 1.00 0.00 C ATOM 0 H1 MET A 1 2.987 2.026 6.174 1.00 0.00 H new ATOM 0 H2 MET A 1 3.015 3.694 5.853 1.00 0.00 H new ATOM 0 H3 MET A 1 1.682 2.759 5.371 1.00 0.00 H new ATOM 0 HA MET A 1 4.023 1.636 4.297 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.640 3.043 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.820 2.077 2.135 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.118 0.056 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.025 0.991 4.342 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.402 0.183 -0.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.474 1.510 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.881 -0.172 0.724 1.00 0.00 H new ATOM 18 N SER A 2 5.267 3.465 2.990 1.00 0.00 N ATOM 19 CA SER A 2 6.123 4.515 2.425 1.00 0.00 C ATOM 20 C SER A 2 5.461 5.105 1.166 1.00 0.00 C ATOM 21 O SER A 2 4.638 4.432 0.533 1.00 0.00 O ATOM 22 CB SER A 2 7.505 3.922 2.087 1.00 0.00 C ATOM 23 OG SER A 2 8.101 3.314 3.232 1.00 0.00 O ATOM 0 H SER A 2 5.554 2.521 2.730 1.00 0.00 H new ATOM 0 HA SER A 2 6.253 5.316 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.402 3.183 1.292 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.158 4.708 1.708 1.00 0.00 H new ATOM 0 HG SER A 2 8.976 2.945 2.988 1.00 0.00 H new ATOM 29 N LYS A 3 5.837 6.346 0.794 1.00 0.00 N ATOM 30 CA LYS A 3 5.211 7.067 -0.338 1.00 0.00 C ATOM 31 C LYS A 3 5.403 6.310 -1.675 1.00 0.00 C ATOM 32 O LYS A 3 4.545 6.396 -2.558 1.00 0.00 O ATOM 33 CB LYS A 3 5.759 8.522 -0.438 1.00 0.00 C ATOM 34 CG LYS A 3 7.271 8.638 -0.762 1.00 0.00 C ATOM 35 CD LYS A 3 7.737 10.105 -0.946 1.00 0.00 C ATOM 36 CE LYS A 3 7.677 10.922 0.356 1.00 0.00 C ATOM 37 NZ LYS A 3 8.629 10.406 1.380 1.00 0.00 N ATOM 0 H LYS A 3 6.574 6.873 1.262 1.00 0.00 H new ATOM 0 HA LYS A 3 4.140 7.117 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.197 9.052 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.566 9.031 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.846 8.177 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.487 8.077 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.759 10.111 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.114 10.587 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.906 11.966 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.663 10.894 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.670 11.068 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.307 9.476 1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.575 10.313 0.959 1.00 0.00 H new ATOM 51 N THR A 4 6.532 5.556 -1.772 1.00 0.00 N ATOM 52 CA THR A 4 6.925 4.728 -2.938 1.00 0.00 C ATOM 53 C THR A 4 7.340 5.609 -4.140 1.00 0.00 C ATOM 54 O THR A 4 8.483 5.541 -4.601 1.00 0.00 O ATOM 55 CB THR A 4 5.819 3.687 -3.330 1.00 0.00 C ATOM 56 OG1 THR A 4 5.463 2.919 -2.165 1.00 0.00 O ATOM 57 CG2 THR A 4 6.264 2.729 -4.446 1.00 0.00 C ATOM 0 H THR A 4 7.213 5.509 -1.014 1.00 0.00 H new ATOM 0 HA THR A 4 7.799 4.150 -2.638 1.00 0.00 H new ATOM 0 HB THR A 4 4.966 4.250 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.771 2.267 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.456 2.033 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.511 3.302 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.141 2.171 -4.118 1.00 0.00 H new ATOM 65 N ALA A 5 6.395 6.411 -4.644 1.00 0.00 N ATOM 66 CA ALA A 5 6.660 7.456 -5.639 1.00 0.00 C ATOM 67 C ALA A 5 7.334 8.664 -4.961 1.00 0.00 C ATOM 68 O ALA A 5 6.802 9.189 -3.978 1.00 0.00 O ATOM 69 CB ALA A 5 5.338 7.873 -6.305 1.00 0.00 C ATOM 0 H ALA A 5 5.414 6.352 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 5 7.334 7.073 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.532 8.650 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.889 7.009 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.654 8.256 -5.548 1.00 0.00 H new ATOM 75 N LYS A 6 8.494 9.093 -5.492 1.00 0.00 N ATOM 76 CA LYS A 6 9.221 10.297 -5.010 1.00 0.00 C ATOM 77 C LYS A 6 8.449 11.588 -5.402 1.00 0.00 C ATOM 78 O LYS A 6 7.230 11.526 -5.646 1.00 0.00 O ATOM 79 CB LYS A 6 10.650 10.310 -5.634 1.00 0.00 C ATOM 80 CG LYS A 6 11.519 9.072 -5.315 1.00 0.00 C ATOM 81 CD LYS A 6 12.900 9.115 -6.025 1.00 0.00 C ATOM 82 CE LYS A 6 13.780 7.893 -5.709 1.00 0.00 C ATOM 83 NZ LYS A 6 14.144 7.820 -4.267 1.00 0.00 N ATOM 0 H LYS A 6 8.959 8.620 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 6 9.298 10.265 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.556 10.399 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.173 11.201 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.670 9.006 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.986 8.171 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.746 9.175 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.427 10.021 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.252 6.983 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.689 7.937 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.805 7.031 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.596 8.711 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.286 7.667 -3.700 1.00 0.00 H new ATOM 97 N LEU A 7 9.156 12.743 -5.432 1.00 0.00 N ATOM 98 CA LEU A 7 8.665 13.998 -6.060 1.00 0.00 C ATOM 99 C LEU A 7 9.747 15.084 -5.927 1.00 0.00 C ATOM 100 O LEU A 7 10.111 15.460 -4.803 1.00 0.00 O ATOM 101 CB LEU A 7 7.316 14.476 -5.446 1.00 0.00 C ATOM 102 CG LEU A 7 6.583 15.658 -6.192 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.067 15.388 -6.305 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.859 17.030 -5.520 1.00 0.00 C ATOM 0 H LEU A 7 10.085 12.833 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 7 8.470 13.801 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.638 13.624 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.500 14.784 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 7 6.994 15.706 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.587 16.218 -6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.902 14.467 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.640 15.288 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.335 17.815 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.506 17.008 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.930 17.232 -5.532 1.00 0.00 H new ATOM 116 N ASN A 8 10.270 15.564 -7.074 1.00 0.00 N ATOM 117 CA ASN A 8 11.372 16.546 -7.110 1.00 0.00 C ATOM 118 C ASN A 8 10.837 17.974 -7.372 1.00 0.00 C ATOM 119 O ASN A 8 10.625 18.748 -6.431 1.00 0.00 O ATOM 120 CB ASN A 8 12.419 16.139 -8.190 1.00 0.00 C ATOM 121 CG ASN A 8 13.084 14.780 -7.930 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.277 14.369 -6.788 1.00 0.00 O ATOM 123 ND2 ASN A 8 13.439 14.067 -8.993 1.00 0.00 N ATOM 0 H ASN A 8 9.941 15.283 -7.998 1.00 0.00 H new ATOM 0 HA ASN A 8 11.861 16.550 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.931 16.113 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.191 16.907 -8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.882 13.157 -8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 8 13.268 14.430 -9.931 1.00 0.00 H new ATOM 130 N ASN A 9 10.582 18.300 -8.654 1.00 0.00 N ATOM 131 CA ASN A 9 10.254 19.675 -9.093 1.00 0.00 C ATOM 132 C ASN A 9 8.742 19.823 -9.280 1.00 0.00 C ATOM 133 O ASN A 9 8.235 19.678 -10.399 1.00 0.00 O ATOM 134 CB ASN A 9 11.037 20.016 -10.396 1.00 0.00 C ATOM 135 CG ASN A 9 12.568 19.996 -10.224 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.304 19.639 -11.145 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.069 20.409 -9.062 1.00 0.00 N ATOM 0 H ASN A 9 10.597 17.621 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 9 10.560 20.386 -8.326 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.759 19.304 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.733 21.003 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.079 20.434 -8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.443 20.701 -8.311 1.00 0.00 H new ATOM 144 N GLU A 10 8.046 20.106 -8.155 1.00 0.00 N ATOM 145 CA GLU A 10 6.571 20.118 -8.070 1.00 0.00 C ATOM 146 C GLU A 10 5.923 20.980 -9.164 1.00 0.00 C ATOM 147 O GLU A 10 4.967 20.537 -9.788 1.00 0.00 O ATOM 148 CB GLU A 10 6.106 20.600 -6.667 1.00 0.00 C ATOM 149 CG GLU A 10 4.579 20.533 -6.454 1.00 0.00 C ATOM 150 CD GLU A 10 4.127 20.840 -5.018 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.240 19.946 -4.146 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.653 21.970 -4.754 1.00 0.00 O ATOM 0 H GLU A 10 8.500 20.335 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 10 6.241 19.091 -8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.596 19.993 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.438 21.627 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.098 21.238 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.229 19.538 -6.728 1.00 0.00 H new ATOM 159 N GLU A 11 6.492 22.181 -9.401 1.00 0.00 N ATOM 160 CA GLU A 11 5.995 23.165 -10.399 1.00 0.00 C ATOM 161 C GLU A 11 5.731 22.533 -11.780 1.00 0.00 C ATOM 162 O GLU A 11 4.715 22.829 -12.421 1.00 0.00 O ATOM 163 CB GLU A 11 7.015 24.328 -10.550 1.00 0.00 C ATOM 164 CG GLU A 11 7.152 25.222 -9.303 1.00 0.00 C ATOM 165 CD GLU A 11 8.240 26.300 -9.446 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.004 27.310 -10.155 1.00 0.00 O ATOM 167 OE2 GLU A 11 9.336 26.146 -8.858 1.00 0.00 O ATOM 0 H GLU A 11 7.320 22.503 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 11 5.043 23.541 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.992 23.909 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.717 24.948 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.195 25.705 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.380 24.597 -8.439 1.00 0.00 H new ATOM 174 N LYS A 12 6.644 21.649 -12.211 1.00 0.00 N ATOM 175 CA LYS A 12 6.556 20.980 -13.524 1.00 0.00 C ATOM 176 C LYS A 12 5.402 19.970 -13.554 1.00 0.00 C ATOM 177 O LYS A 12 4.714 19.834 -14.570 1.00 0.00 O ATOM 178 CB LYS A 12 7.898 20.296 -13.886 1.00 0.00 C ATOM 179 CG LYS A 12 9.110 21.263 -13.884 1.00 0.00 C ATOM 180 CD LYS A 12 10.342 20.712 -14.638 1.00 0.00 C ATOM 181 CE LYS A 12 10.065 20.504 -16.140 1.00 0.00 C ATOM 182 NZ LYS A 12 11.257 19.998 -16.866 1.00 0.00 N ATOM 0 H LYS A 12 7.461 21.377 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 12 6.351 21.743 -14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.087 19.489 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.809 19.841 -14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.811 22.209 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.391 21.478 -12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.177 21.402 -14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.644 19.764 -14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.242 19.800 -16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.746 21.447 -16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.039 19.922 -17.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.051 20.656 -16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.517 19.061 -16.496 1.00 0.00 H new ATOM 196 N LEU A 13 5.200 19.281 -12.422 1.00 0.00 N ATOM 197 CA LEU A 13 4.108 18.312 -12.250 1.00 0.00 C ATOM 198 C LEU A 13 2.737 19.027 -12.207 1.00 0.00 C ATOM 199 O LEU A 13 1.741 18.512 -12.716 1.00 0.00 O ATOM 200 CB LEU A 13 4.328 17.457 -10.975 1.00 0.00 C ATOM 201 CG LEU A 13 5.465 16.379 -11.064 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.873 16.982 -10.927 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.256 15.246 -10.051 1.00 0.00 C ATOM 0 H LEU A 13 5.791 19.380 -11.597 1.00 0.00 H new ATOM 0 HA LEU A 13 4.110 17.643 -13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.553 18.127 -10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.393 16.952 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 13 5.397 15.956 -12.066 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.617 16.188 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.038 17.705 -11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.963 17.480 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.064 14.520 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.252 15.657 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.303 14.755 -10.246 1.00 0.00 H new ATOM 215 N VAL A 14 2.718 20.222 -11.596 1.00 0.00 N ATOM 216 CA VAL A 14 1.525 21.090 -11.529 1.00 0.00 C ATOM 217 C VAL A 14 1.091 21.495 -12.939 1.00 0.00 C ATOM 218 O VAL A 14 -0.070 21.332 -13.301 1.00 0.00 O ATOM 219 CB VAL A 14 1.807 22.375 -10.667 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.601 23.354 -10.650 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.218 21.973 -9.240 1.00 0.00 C ATOM 0 H VAL A 14 3.534 20.619 -11.130 1.00 0.00 H new ATOM 0 HA VAL A 14 0.723 20.527 -11.051 1.00 0.00 H new ATOM 0 HB VAL A 14 2.632 22.912 -11.135 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.847 24.224 -10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.378 23.674 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.270 22.851 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.411 22.869 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.414 21.401 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.121 21.363 -9.279 1.00 0.00 H new ATOM 231 N LYS A 15 2.057 21.996 -13.728 1.00 0.00 N ATOM 232 CA LYS A 15 1.825 22.437 -15.112 1.00 0.00 C ATOM 233 C LYS A 15 1.426 21.260 -16.023 1.00 0.00 C ATOM 234 O LYS A 15 0.594 21.423 -16.920 1.00 0.00 O ATOM 235 CB LYS A 15 3.076 23.170 -15.650 1.00 0.00 C ATOM 236 CG LYS A 15 3.397 24.486 -14.900 1.00 0.00 C ATOM 237 CD LYS A 15 4.676 25.193 -15.418 1.00 0.00 C ATOM 238 CE LYS A 15 5.936 24.318 -15.291 1.00 0.00 C ATOM 239 NZ LYS A 15 7.161 25.052 -15.688 1.00 0.00 N ATOM 0 H LYS A 15 3.024 22.106 -13.422 1.00 0.00 H new ATOM 0 HA LYS A 15 0.988 23.135 -15.114 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.935 22.503 -15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.930 23.391 -16.707 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.551 25.166 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.514 24.271 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.535 25.469 -16.463 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.825 26.118 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.037 23.974 -14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.826 23.431 -15.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.987 24.428 -15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.076 25.359 -16.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.280 25.885 -15.077 1.00 0.00 H new ATOM 253 N LYS A 16 1.995 20.069 -15.757 1.00 0.00 N ATOM 254 CA LYS A 16 1.639 18.837 -16.488 1.00 0.00 C ATOM 255 C LYS A 16 0.219 18.371 -16.104 1.00 0.00 C ATOM 256 O LYS A 16 -0.482 17.763 -16.908 1.00 0.00 O ATOM 257 CB LYS A 16 2.684 17.718 -16.225 1.00 0.00 C ATOM 258 CG LYS A 16 2.493 16.429 -17.067 1.00 0.00 C ATOM 259 CD LYS A 16 2.546 16.681 -18.593 1.00 0.00 C ATOM 260 CE LYS A 16 3.935 17.139 -19.084 1.00 0.00 C ATOM 261 NZ LYS A 16 3.931 17.456 -20.539 1.00 0.00 N ATOM 0 H LYS A 16 2.706 19.933 -15.038 1.00 0.00 H new ATOM 0 HA LYS A 16 1.646 19.056 -17.556 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.679 18.118 -16.421 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.650 17.452 -15.169 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.266 15.709 -16.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.534 15.977 -16.814 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.266 15.767 -19.116 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.807 17.438 -18.856 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.247 18.019 -18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.667 16.356 -18.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.754 18.050 -20.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.979 16.573 -21.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.058 17.966 -20.781 1.00 0.00 H new ATOM 275 N ALA A 17 -0.195 18.691 -14.872 1.00 0.00 N ATOM 276 CA ALA A 17 -1.556 18.415 -14.388 1.00 0.00 C ATOM 277 C ALA A 17 -2.551 19.444 -14.954 1.00 0.00 C ATOM 278 O ALA A 17 -3.735 19.157 -15.065 1.00 0.00 O ATOM 279 CB ALA A 17 -1.588 18.389 -12.857 1.00 0.00 C ATOM 0 H ALA A 17 0.402 19.148 -14.182 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.859 17.430 -14.743 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.603 18.183 -12.518 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.919 17.610 -12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.265 19.355 -12.470 1.00 0.00 H new ATOM 285 N LEU A 18 -2.053 20.648 -15.310 1.00 0.00 N ATOM 286 CA LEU A 18 -2.860 21.661 -16.028 1.00 0.00 C ATOM 287 C LEU A 18 -3.103 21.188 -17.467 1.00 0.00 C ATOM 288 O LEU A 18 -4.166 21.432 -18.042 1.00 0.00 O ATOM 289 CB LEU A 18 -2.176 23.064 -16.027 1.00 0.00 C ATOM 290 CG LEU A 18 -1.754 23.631 -14.633 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.189 25.066 -14.735 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.899 23.553 -13.610 1.00 0.00 C ATOM 0 H LEU A 18 -1.097 20.943 -15.112 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.811 21.769 -15.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.288 23.012 -16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.857 23.776 -16.494 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.949 22.992 -14.270 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.909 25.418 -13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.311 25.066 -15.381 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.948 25.727 -15.154 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.562 23.957 -12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.749 24.133 -13.970 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.199 22.513 -13.478 1.00 0.00 H new ATOM 304 N GLU A 19 -2.090 20.508 -18.037 1.00 0.00 N ATOM 305 CA GLU A 19 -2.170 19.917 -19.382 1.00 0.00 C ATOM 306 C GLU A 19 -3.182 18.752 -19.415 1.00 0.00 C ATOM 307 O GLU A 19 -4.166 18.811 -20.149 1.00 0.00 O ATOM 308 CB GLU A 19 -0.766 19.438 -19.843 1.00 0.00 C ATOM 309 CG GLU A 19 0.276 20.569 -20.010 1.00 0.00 C ATOM 310 CD GLU A 19 1.688 20.062 -20.366 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.867 19.474 -21.462 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.628 20.246 -19.560 1.00 0.00 O ATOM 0 H GLU A 19 -1.193 20.354 -17.576 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.521 20.684 -20.073 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.387 18.716 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.869 18.913 -20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.063 21.251 -20.790 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.328 21.143 -19.085 1.00 0.00 H new ATOM 319 N ILE A 20 -2.942 17.719 -18.590 1.00 0.00 N ATOM 320 CA ILE A 20 -3.756 16.487 -18.576 1.00 0.00 C ATOM 321 C ILE A 20 -5.138 16.752 -17.950 1.00 0.00 C ATOM 322 O ILE A 20 -6.164 16.374 -18.515 1.00 0.00 O ATOM 323 CB ILE A 20 -3.016 15.316 -17.823 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.586 15.080 -18.423 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.848 14.006 -17.843 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.550 14.687 -19.892 1.00 0.00 C ATOM 0 H ILE A 20 -2.179 17.712 -17.913 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.902 16.175 -19.610 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.904 15.616 -16.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.002 15.991 -18.294 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.092 14.300 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.305 13.222 -17.314 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.807 14.177 -17.354 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.017 13.698 -18.875 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.516 14.548 -20.206 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.100 13.757 -20.033 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.008 15.474 -20.491 1.00 0.00 H new ATOM 338 N GLY A 21 -5.147 17.428 -16.796 1.00 0.00 N ATOM 339 CA GLY A 21 -6.391 17.810 -16.127 1.00 0.00 C ATOM 340 C GLY A 21 -7.206 18.809 -16.946 1.00 0.00 C ATOM 341 O GLY A 21 -8.435 18.772 -16.915 1.00 0.00 O ATOM 0 H GLY A 21 -4.302 17.722 -16.306 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.991 16.919 -15.944 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.159 18.244 -15.154 1.00 0.00 H new ATOM 345 N GLY A 22 -6.507 19.695 -17.685 1.00 0.00 N ATOM 346 CA GLY A 22 -7.159 20.700 -18.533 1.00 0.00 C ATOM 347 C GLY A 22 -7.829 20.110 -19.770 1.00 0.00 C ATOM 348 O GLY A 22 -8.981 20.452 -20.074 1.00 0.00 O ATOM 0 H GLY A 22 -5.488 19.730 -17.708 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.906 21.232 -17.944 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.418 21.435 -18.847 1.00 0.00 H new ATOM 352 N LYS A 23 -7.108 19.211 -20.484 1.00 0.00 N ATOM 353 CA LYS A 23 -7.626 18.570 -21.721 1.00 0.00 C ATOM 354 C LYS A 23 -8.807 17.656 -21.378 1.00 0.00 C ATOM 355 O LYS A 23 -9.825 17.646 -22.083 1.00 0.00 O ATOM 356 CB LYS A 23 -6.528 17.749 -22.478 1.00 0.00 C ATOM 357 CG LYS A 23 -5.889 16.594 -21.654 1.00 0.00 C ATOM 358 CD LYS A 23 -5.501 15.353 -22.489 1.00 0.00 C ATOM 359 CE LYS A 23 -4.964 14.205 -21.607 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.725 12.952 -22.373 1.00 0.00 N ATOM 0 H LYS A 23 -6.167 18.913 -20.226 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.950 19.371 -22.386 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.968 17.330 -23.383 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.738 18.431 -22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.998 16.972 -21.152 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.589 16.289 -20.876 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.371 15.005 -23.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.744 15.632 -23.222 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.033 14.520 -21.136 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.675 14.005 -20.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.366 12.216 -21.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.617 12.632 -22.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.025 13.131 -23.121 1.00 0.00 H new ATOM 374 N MET A 24 -8.664 16.904 -20.264 1.00 0.00 N ATOM 375 CA MET A 24 -9.702 15.989 -19.793 1.00 0.00 C ATOM 376 C MET A 24 -10.950 16.772 -19.377 1.00 0.00 C ATOM 377 O MET A 24 -12.038 16.399 -19.777 1.00 0.00 O ATOM 378 CB MET A 24 -9.197 15.096 -18.633 1.00 0.00 C ATOM 379 CG MET A 24 -8.203 13.992 -19.038 1.00 0.00 C ATOM 380 SD MET A 24 -7.964 12.748 -17.739 1.00 0.00 S ATOM 381 CE MET A 24 -7.696 13.763 -16.283 1.00 0.00 C ATOM 0 H MET A 24 -7.830 16.921 -19.678 1.00 0.00 H new ATOM 0 HA MET A 24 -9.963 15.327 -20.618 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.723 15.733 -17.886 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.058 14.629 -18.154 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.561 13.501 -19.943 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.242 14.446 -19.281 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.431 13.126 -15.439 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.886 14.467 -16.474 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.608 14.313 -16.050 1.00 0.00 H new ATOM 391 N ALA A 25 -10.766 17.870 -18.607 1.00 0.00 N ATOM 392 CA ALA A 25 -11.875 18.753 -18.169 1.00 0.00 C ATOM 393 C ALA A 25 -12.682 19.252 -19.371 1.00 0.00 C ATOM 394 O ALA A 25 -13.911 19.117 -19.408 1.00 0.00 O ATOM 395 CB ALA A 25 -11.339 19.939 -17.348 1.00 0.00 C ATOM 0 H ALA A 25 -9.850 18.169 -18.273 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.538 18.168 -17.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.170 20.572 -17.038 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.819 19.565 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.648 20.521 -17.958 1.00 0.00 H new ATOM 401 N LYS A 26 -11.950 19.776 -20.362 1.00 0.00 N ATOM 402 CA LYS A 26 -12.504 20.265 -21.634 1.00 0.00 C ATOM 403 C LYS A 26 -13.454 19.223 -22.254 1.00 0.00 C ATOM 404 O LYS A 26 -14.656 19.497 -22.437 1.00 0.00 O ATOM 405 CB LYS A 26 -11.333 20.599 -22.593 1.00 0.00 C ATOM 406 CG LYS A 26 -11.741 21.046 -24.017 1.00 0.00 C ATOM 407 CD LYS A 26 -10.513 21.248 -24.946 1.00 0.00 C ATOM 408 CE LYS A 26 -9.701 19.953 -25.147 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.503 20.170 -25.995 1.00 0.00 N ATOM 0 H LYS A 26 -10.937 19.875 -20.303 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.090 21.167 -21.456 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.732 21.389 -22.142 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.694 19.720 -22.677 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.405 20.300 -24.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.304 21.977 -23.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.852 21.614 -25.915 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.865 22.016 -24.524 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.392 19.565 -24.176 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.336 19.195 -25.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.987 19.273 -26.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.798 20.515 -26.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.883 20.874 -25.546 1.00 0.00 H new ATOM 423 N MET A 27 -12.909 18.003 -22.454 1.00 0.00 N ATOM 424 CA MET A 27 -13.625 16.865 -23.075 1.00 0.00 C ATOM 425 C MET A 27 -14.787 16.344 -22.192 1.00 0.00 C ATOM 426 O MET A 27 -15.790 15.842 -22.718 1.00 0.00 O ATOM 427 CB MET A 27 -12.620 15.722 -23.381 1.00 0.00 C ATOM 428 CG MET A 27 -11.544 16.087 -24.423 1.00 0.00 C ATOM 429 SD MET A 27 -10.432 14.713 -24.832 1.00 0.00 S ATOM 430 CE MET A 27 -9.544 14.456 -23.295 1.00 0.00 C ATOM 0 H MET A 27 -11.951 17.778 -22.187 1.00 0.00 H new ATOM 0 HA MET A 27 -14.072 17.221 -24.003 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.127 15.429 -22.454 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.173 14.853 -23.736 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.034 16.430 -25.334 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.953 16.921 -24.045 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.772 13.701 -23.443 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.081 15.392 -22.981 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.239 14.119 -22.525 1.00 0.00 H new ATOM 440 N GLN A 28 -14.637 16.464 -20.856 1.00 0.00 N ATOM 441 CA GLN A 28 -15.680 16.070 -19.878 1.00 0.00 C ATOM 442 C GLN A 28 -16.862 17.056 -19.926 1.00 0.00 C ATOM 443 O GLN A 28 -17.979 16.721 -19.513 1.00 0.00 O ATOM 444 CB GLN A 28 -15.094 16.000 -18.434 1.00 0.00 C ATOM 445 CG GLN A 28 -14.135 14.824 -18.155 1.00 0.00 C ATOM 446 CD GLN A 28 -14.731 13.450 -18.458 1.00 0.00 C ATOM 447 OE1 GLN A 28 -14.580 12.921 -19.558 1.00 0.00 O ATOM 448 NE2 GLN A 28 -15.429 12.869 -17.492 1.00 0.00 N ATOM 0 H GLN A 28 -13.792 16.836 -20.423 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.039 15.077 -20.149 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.565 16.931 -18.231 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.923 15.944 -17.728 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.232 14.956 -18.751 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.834 14.855 -17.108 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.536 13.333 -16.590 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.859 11.958 -17.651 1.00 0.00 H new ATOM 457 N GLY A 29 -16.591 18.274 -20.418 1.00 0.00 N ATOM 458 CA GLY A 29 -17.620 19.285 -20.659 1.00 0.00 C ATOM 459 C GLY A 29 -17.339 20.560 -19.895 1.00 0.00 C ATOM 460 O GLY A 29 -18.231 21.102 -19.226 1.00 0.00 O ATOM 0 H GLY A 29 -15.649 18.582 -20.659 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.673 19.504 -21.726 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.593 18.891 -20.365 1.00 0.00 H new ATOM 464 N PHE A 30 -16.082 21.040 -19.988 1.00 0.00 N ATOM 465 CA PHE A 30 -15.627 22.263 -19.273 1.00 0.00 C ATOM 466 C PHE A 30 -14.765 23.138 -20.199 1.00 0.00 C ATOM 467 O PHE A 30 -14.507 22.781 -21.354 1.00 0.00 O ATOM 468 CB PHE A 30 -14.818 21.904 -17.983 1.00 0.00 C ATOM 469 CG PHE A 30 -15.607 21.139 -16.914 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.438 21.818 -16.024 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.520 19.749 -16.804 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.156 21.134 -15.064 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.241 19.067 -15.843 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.057 19.762 -14.973 1.00 0.00 C ATOM 0 H PHE A 30 -15.356 20.600 -20.553 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.516 22.819 -18.976 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.952 21.308 -18.270 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.438 22.826 -17.542 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.521 22.893 -16.087 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.880 19.200 -17.479 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.797 21.675 -14.383 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.166 17.992 -15.772 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.619 19.230 -14.220 1.00 0.00 H new ATOM 484 N ASP A 31 -14.353 24.296 -19.668 1.00 0.00 N ATOM 485 CA ASP A 31 -13.393 25.205 -20.300 1.00 0.00 C ATOM 486 C ASP A 31 -12.795 26.066 -19.178 1.00 0.00 C ATOM 487 O ASP A 31 -13.460 26.969 -18.653 1.00 0.00 O ATOM 488 CB ASP A 31 -14.070 26.077 -21.399 1.00 0.00 C ATOM 489 CG ASP A 31 -13.094 27.048 -22.091 1.00 0.00 C ATOM 490 OD1 ASP A 31 -12.152 26.573 -22.768 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.252 28.286 -21.955 1.00 0.00 O ATOM 0 H ASP A 31 -14.687 24.633 -18.765 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.609 24.645 -20.811 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.515 25.423 -22.149 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.883 26.648 -20.951 1.00 0.00 H new ATOM 496 N LEU A 32 -11.558 25.734 -18.777 1.00 0.00 N ATOM 497 CA LEU A 32 -10.916 26.306 -17.582 1.00 0.00 C ATOM 498 C LEU A 32 -10.324 27.701 -17.900 1.00 0.00 C ATOM 499 O LEU A 32 -9.751 27.881 -18.978 1.00 0.00 O ATOM 500 CB LEU A 32 -9.822 25.329 -17.060 1.00 0.00 C ATOM 501 CG LEU A 32 -10.292 23.854 -16.810 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.143 22.986 -16.251 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.536 23.787 -15.885 1.00 0.00 C ATOM 0 H LEU A 32 -10.974 25.061 -19.272 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.662 26.438 -16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.002 25.313 -17.778 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.421 25.726 -16.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.585 23.447 -17.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.501 21.969 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.319 22.971 -16.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.798 23.404 -15.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.826 22.746 -15.740 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.297 24.235 -14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.360 24.333 -16.344 1.00 0.00 H new ATOM 515 N PRO A 33 -10.482 28.713 -16.976 1.00 0.00 N ATOM 516 CA PRO A 33 -9.940 30.087 -17.169 1.00 0.00 C ATOM 517 C PRO A 33 -8.393 30.101 -17.227 1.00 0.00 C ATOM 518 O PRO A 33 -7.736 29.286 -16.571 1.00 0.00 O ATOM 519 CB PRO A 33 -10.494 30.869 -15.946 1.00 0.00 C ATOM 520 CG PRO A 33 -10.750 29.815 -14.912 1.00 0.00 C ATOM 521 CD PRO A 33 -11.208 28.598 -15.677 1.00 0.00 C ATOM 0 HA PRO A 33 -10.241 30.530 -18.118 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.777 31.609 -15.590 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.408 31.407 -16.199 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.848 29.601 -14.339 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.510 30.140 -14.201 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.954 27.676 -15.155 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.289 28.596 -15.819 1.00 0.00 H new ATOM 529 N GLN A 34 -7.832 31.032 -18.025 1.00 0.00 N ATOM 530 CA GLN A 34 -6.388 31.058 -18.349 1.00 0.00 C ATOM 531 C GLN A 34 -5.663 32.249 -17.676 1.00 0.00 C ATOM 532 O GLN A 34 -4.873 32.069 -16.737 1.00 0.00 O ATOM 533 CB GLN A 34 -6.196 31.124 -19.899 1.00 0.00 C ATOM 534 CG GLN A 34 -6.912 30.012 -20.698 1.00 0.00 C ATOM 535 CD GLN A 34 -6.381 28.605 -20.408 1.00 0.00 C ATOM 536 OE1 GLN A 34 -6.872 27.900 -19.523 1.00 0.00 O ATOM 537 NE2 GLN A 34 -5.361 28.192 -21.146 1.00 0.00 N ATOM 0 H GLN A 34 -8.363 31.785 -18.462 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.944 30.142 -17.959 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.554 32.091 -20.253 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.129 31.078 -20.119 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.978 30.042 -20.471 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.807 30.218 -21.763 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.977 28.799 -21.871 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.960 27.267 -20.990 1.00 0.00 H new ATOM 546 N SER A 35 -5.983 33.471 -18.143 1.00 0.00 N ATOM 547 CA SER A 35 -5.129 34.672 -17.975 1.00 0.00 C ATOM 548 C SER A 35 -4.829 35.135 -16.510 1.00 0.00 C ATOM 549 O SER A 35 -3.662 35.428 -16.228 1.00 0.00 O ATOM 550 CB SER A 35 -5.698 35.824 -18.832 1.00 0.00 C ATOM 551 OG SER A 35 -5.699 35.488 -20.217 1.00 0.00 O ATOM 0 H SER A 35 -6.847 33.658 -18.652 1.00 0.00 H new ATOM 0 HA SER A 35 -4.143 34.368 -18.326 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.714 36.052 -18.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.104 36.725 -18.675 1.00 0.00 H new ATOM 0 HG SER A 35 -6.066 36.235 -20.735 1.00 0.00 H new ATOM 557 N PRO A 36 -5.829 35.247 -15.561 1.00 0.00 N ATOM 558 CA PRO A 36 -5.558 35.768 -14.182 1.00 0.00 C ATOM 559 C PRO A 36 -4.518 34.944 -13.371 1.00 0.00 C ATOM 560 O PRO A 36 -3.993 35.471 -12.391 1.00 0.00 O ATOM 561 CB PRO A 36 -6.950 35.782 -13.503 1.00 0.00 C ATOM 562 CG PRO A 36 -7.802 34.874 -14.337 1.00 0.00 C ATOM 563 CD PRO A 36 -7.273 34.956 -15.746 1.00 0.00 C ATOM 0 HA PRO A 36 -5.092 36.752 -14.227 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.890 35.430 -12.473 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.363 36.790 -13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.756 33.850 -13.965 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.847 35.180 -14.298 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.428 34.023 -16.287 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.770 35.741 -16.316 1.00 0.00 H new ATOM 571 N GLN A 37 -4.252 33.671 -13.808 1.00 0.00 N ATOM 572 CA GLN A 37 -3.134 32.769 -13.356 1.00 0.00 C ATOM 573 C GLN A 37 -3.555 31.637 -12.335 1.00 0.00 C ATOM 574 O GLN A 37 -3.653 30.478 -12.768 1.00 0.00 O ATOM 575 CB GLN A 37 -1.818 33.520 -12.911 1.00 0.00 C ATOM 576 CG GLN A 37 -1.127 34.354 -14.013 1.00 0.00 C ATOM 577 CD GLN A 37 -0.686 33.516 -15.216 1.00 0.00 C ATOM 578 OE1 GLN A 37 -1.444 33.317 -16.166 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.549 33.027 -15.195 1.00 0.00 N ATOM 0 H GLN A 37 -4.835 33.225 -14.516 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.877 32.243 -14.276 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.060 34.180 -12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.107 32.783 -12.538 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.810 35.133 -14.352 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.257 34.855 -13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.155 33.208 -14.395 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.891 32.471 -15.979 1.00 0.00 H new ATOM 588 N PRO A 38 -3.853 31.902 -10.992 1.00 0.00 N ATOM 589 CA PRO A 38 -4.056 30.803 -9.981 1.00 0.00 C ATOM 590 C PRO A 38 -5.348 29.999 -10.237 1.00 0.00 C ATOM 591 O PRO A 38 -5.526 28.888 -9.720 1.00 0.00 O ATOM 592 CB PRO A 38 -4.145 31.575 -8.640 1.00 0.00 C ATOM 593 CG PRO A 38 -4.743 32.888 -9.033 1.00 0.00 C ATOM 594 CD PRO A 38 -4.095 33.235 -10.356 1.00 0.00 C ATOM 0 HA PRO A 38 -3.258 30.061 -10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.768 31.051 -7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.163 31.701 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.826 32.814 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.542 33.653 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.745 33.859 -10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.165 33.786 -10.214 1.00 0.00 H new ATOM 602 N VAL A 39 -6.204 30.589 -11.081 1.00 0.00 N ATOM 603 CA VAL A 39 -7.501 30.051 -11.473 1.00 0.00 C ATOM 604 C VAL A 39 -7.359 28.707 -12.198 1.00 0.00 C ATOM 605 O VAL A 39 -8.222 27.860 -12.073 1.00 0.00 O ATOM 606 CB VAL A 39 -8.249 31.080 -12.394 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.551 32.390 -11.622 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.438 31.364 -13.686 1.00 0.00 C ATOM 0 H VAL A 39 -6.000 31.486 -11.522 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.082 29.881 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.200 30.639 -12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.069 33.088 -12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.180 32.168 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.616 32.836 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.979 32.080 -14.305 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.464 31.776 -13.421 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.300 30.436 -14.240 1.00 0.00 H new ATOM 618 N ARG A 40 -6.243 28.534 -12.934 1.00 0.00 N ATOM 619 CA ARG A 40 -5.974 27.313 -13.716 1.00 0.00 C ATOM 620 C ARG A 40 -5.720 26.139 -12.769 1.00 0.00 C ATOM 621 O ARG A 40 -6.377 25.104 -12.844 1.00 0.00 O ATOM 622 CB ARG A 40 -4.738 27.505 -14.638 1.00 0.00 C ATOM 623 CG ARG A 40 -4.769 28.768 -15.529 1.00 0.00 C ATOM 624 CD ARG A 40 -3.946 28.604 -16.815 1.00 0.00 C ATOM 625 NE ARG A 40 -4.567 27.597 -17.702 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.923 26.647 -18.384 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.614 26.485 -18.260 1.00 0.00 N ATOM 628 NH2 ARG A 40 -4.615 25.834 -19.174 1.00 0.00 N ATOM 0 H ARG A 40 -5.505 29.235 -13.002 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.845 27.107 -14.338 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.843 27.541 -14.016 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.645 26.629 -15.280 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.802 28.999 -15.790 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.386 29.617 -14.963 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.876 29.560 -17.333 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.929 28.301 -16.567 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.581 27.631 -17.802 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.082 27.091 -17.636 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.138 25.754 -18.789 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.626 25.940 -19.254 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.135 25.104 -19.701 1.00 0.00 H new ATOM 642 N VAL A 41 -4.767 26.372 -11.857 1.00 0.00 N ATOM 643 CA VAL A 41 -4.293 25.395 -10.867 1.00 0.00 C ATOM 644 C VAL A 41 -5.459 24.893 -9.986 1.00 0.00 C ATOM 645 O VAL A 41 -5.660 23.676 -9.806 1.00 0.00 O ATOM 646 CB VAL A 41 -3.132 26.057 -10.011 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.649 25.160 -8.853 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.938 26.443 -10.927 1.00 0.00 C ATOM 0 H VAL A 41 -4.291 27.271 -11.785 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.892 24.517 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.551 26.955 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.855 25.668 -8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.481 24.956 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.269 24.221 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.150 26.896 -10.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.552 25.549 -11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.273 27.155 -11.681 1.00 0.00 H new ATOM 658 N LYS A 42 -6.275 25.846 -9.522 1.00 0.00 N ATOM 659 CA LYS A 42 -7.394 25.574 -8.614 1.00 0.00 C ATOM 660 C LYS A 42 -8.587 24.944 -9.383 1.00 0.00 C ATOM 661 O LYS A 42 -9.293 24.100 -8.833 1.00 0.00 O ATOM 662 CB LYS A 42 -7.789 26.889 -7.875 1.00 0.00 C ATOM 663 CG LYS A 42 -8.511 26.704 -6.507 1.00 0.00 C ATOM 664 CD LYS A 42 -10.027 26.396 -6.611 1.00 0.00 C ATOM 665 CE LYS A 42 -10.807 27.499 -7.353 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.642 28.832 -6.717 1.00 0.00 N ATOM 0 H LYS A 42 -6.177 26.831 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.091 24.844 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.886 27.478 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.436 27.472 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.026 25.894 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.378 27.610 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.166 25.447 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.439 26.276 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.467 27.548 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.865 27.239 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.250 29.524 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.911 28.774 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.649 29.132 -6.792 1.00 0.00 H new ATOM 680 N ALA A 43 -8.789 25.344 -10.655 1.00 0.00 N ATOM 681 CA ALA A 43 -9.881 24.796 -11.509 1.00 0.00 C ATOM 682 C ALA A 43 -9.639 23.314 -11.844 1.00 0.00 C ATOM 683 O ALA A 43 -10.579 22.506 -11.854 1.00 0.00 O ATOM 684 CB ALA A 43 -10.032 25.601 -12.808 1.00 0.00 C ATOM 0 H ALA A 43 -8.213 26.045 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.805 24.879 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.836 25.176 -13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.267 26.638 -12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.099 25.562 -13.371 1.00 0.00 H new ATOM 690 N VAL A 44 -8.369 22.984 -12.128 1.00 0.00 N ATOM 691 CA VAL A 44 -7.933 21.600 -12.368 1.00 0.00 C ATOM 692 C VAL A 44 -8.153 20.763 -11.099 1.00 0.00 C ATOM 693 O VAL A 44 -8.681 19.661 -11.181 1.00 0.00 O ATOM 694 CB VAL A 44 -6.426 21.534 -12.828 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.907 20.082 -12.912 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.235 22.243 -14.189 1.00 0.00 C ATOM 0 H VAL A 44 -7.616 23.669 -12.198 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.533 21.188 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.841 22.053 -12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.865 20.086 -13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.983 19.611 -11.932 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.506 19.523 -13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.188 22.185 -14.486 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.854 21.756 -14.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.529 23.289 -14.099 1.00 0.00 H new ATOM 706 N TYR A 45 -7.769 21.329 -9.936 1.00 0.00 N ATOM 707 CA TYR A 45 -8.037 20.726 -8.610 1.00 0.00 C ATOM 708 C TYR A 45 -9.524 20.350 -8.446 1.00 0.00 C ATOM 709 O TYR A 45 -9.829 19.197 -8.146 1.00 0.00 O ATOM 710 CB TYR A 45 -7.570 21.699 -7.495 1.00 0.00 C ATOM 711 CG TYR A 45 -8.166 21.459 -6.094 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.675 20.461 -5.248 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.230 22.242 -5.631 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.237 20.246 -4.003 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.783 22.033 -4.393 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.287 21.041 -3.581 1.00 0.00 C ATOM 717 OH TYR A 45 -9.862 20.831 -2.355 1.00 0.00 O ATOM 0 H TYR A 45 -7.266 22.215 -9.888 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.471 19.798 -8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.484 21.640 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.814 22.716 -7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.845 19.849 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.623 23.026 -6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.858 19.462 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.606 22.646 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.835 20.778 -2.455 1.00 0.00 H new ATOM 727 N LEU A 46 -10.429 21.336 -8.668 1.00 0.00 N ATOM 728 CA LEU A 46 -11.894 21.147 -8.536 1.00 0.00 C ATOM 729 C LEU A 46 -12.364 19.979 -9.409 1.00 0.00 C ATOM 730 O LEU A 46 -13.021 19.057 -8.924 1.00 0.00 O ATOM 731 CB LEU A 46 -12.672 22.432 -8.932 1.00 0.00 C ATOM 732 CG LEU A 46 -12.432 23.692 -8.046 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.256 24.894 -8.554 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.727 23.403 -6.554 1.00 0.00 C ATOM 0 H LEU A 46 -10.164 22.282 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.101 20.927 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.413 22.684 -9.960 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.738 22.203 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.376 23.952 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.069 25.759 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.965 25.128 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.317 24.646 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.549 24.304 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.767 23.096 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.073 22.605 -6.202 1.00 0.00 H new ATOM 746 N PHE A 47 -11.965 20.038 -10.692 1.00 0.00 N ATOM 747 CA PHE A 47 -12.266 19.003 -11.689 1.00 0.00 C ATOM 748 C PHE A 47 -11.830 17.608 -11.195 1.00 0.00 C ATOM 749 O PHE A 47 -12.618 16.672 -11.233 1.00 0.00 O ATOM 750 CB PHE A 47 -11.587 19.356 -13.052 1.00 0.00 C ATOM 751 CG PHE A 47 -11.452 18.170 -14.017 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.580 17.540 -14.545 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.198 17.661 -14.352 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.454 16.440 -15.370 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.074 16.568 -15.183 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.200 15.955 -15.692 1.00 0.00 C ATOM 0 H PHE A 47 -11.419 20.814 -11.066 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.345 18.972 -11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.164 20.142 -13.539 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.596 19.764 -12.856 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.563 17.917 -14.305 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.310 18.130 -13.954 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.336 15.958 -15.764 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.094 16.191 -15.436 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.102 15.097 -16.341 1.00 0.00 H new ATOM 766 N LEU A 48 -10.578 17.501 -10.726 1.00 0.00 N ATOM 767 CA LEU A 48 -9.989 16.227 -10.286 1.00 0.00 C ATOM 768 C LEU A 48 -10.693 15.670 -9.031 1.00 0.00 C ATOM 769 O LEU A 48 -10.810 14.462 -8.881 1.00 0.00 O ATOM 770 CB LEU A 48 -8.469 16.375 -10.025 1.00 0.00 C ATOM 771 CG LEU A 48 -7.573 16.759 -11.244 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.094 16.872 -10.825 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.744 15.776 -12.418 1.00 0.00 C ATOM 0 H LEU A 48 -9.945 18.296 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.137 15.514 -11.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.330 17.131 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.102 15.432 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.904 17.737 -11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.490 17.140 -11.692 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.991 17.640 -10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.754 15.915 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.102 16.081 -13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.467 14.772 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.784 15.778 -12.746 1.00 0.00 H new ATOM 785 N VAL A 49 -11.159 16.552 -8.130 1.00 0.00 N ATOM 786 CA VAL A 49 -11.901 16.123 -6.925 1.00 0.00 C ATOM 787 C VAL A 49 -13.279 15.561 -7.338 1.00 0.00 C ATOM 788 O VAL A 49 -13.678 14.474 -6.904 1.00 0.00 O ATOM 789 CB VAL A 49 -12.085 17.288 -5.877 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.907 16.816 -4.656 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.720 17.845 -5.414 1.00 0.00 C ATOM 0 H VAL A 49 -11.037 17.562 -8.210 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.310 15.348 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.633 18.088 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.017 17.640 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.892 16.486 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.392 15.988 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.880 18.646 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.141 17.048 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.175 18.235 -6.274 1.00 0.00 H new ATOM 801 N ASP A 50 -13.967 16.305 -8.215 1.00 0.00 N ATOM 802 CA ASP A 50 -15.292 15.935 -8.745 1.00 0.00 C ATOM 803 C ASP A 50 -15.217 14.688 -9.659 1.00 0.00 C ATOM 804 O ASP A 50 -16.194 13.947 -9.786 1.00 0.00 O ATOM 805 CB ASP A 50 -15.906 17.139 -9.511 1.00 0.00 C ATOM 806 CG ASP A 50 -16.364 18.297 -8.596 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.299 18.093 -7.785 1.00 0.00 O ATOM 808 OD2 ASP A 50 -15.830 19.422 -8.706 1.00 0.00 O ATOM 0 H ASP A 50 -13.618 17.190 -8.582 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.934 15.679 -7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.171 17.519 -10.220 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.759 16.790 -10.093 1.00 0.00 H new ATOM 813 N ALA A 51 -14.049 14.474 -10.289 1.00 0.00 N ATOM 814 CA ALA A 51 -13.776 13.304 -11.153 1.00 0.00 C ATOM 815 C ALA A 51 -13.129 12.156 -10.345 1.00 0.00 C ATOM 816 O ALA A 51 -12.712 11.147 -10.927 1.00 0.00 O ATOM 817 CB ALA A 51 -12.879 13.726 -12.335 1.00 0.00 C ATOM 0 H ALA A 51 -13.257 15.113 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.721 12.931 -11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.681 12.861 -12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.385 14.495 -12.919 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.937 14.120 -11.954 1.00 0.00 H new ATOM 823 N LYS A 52 -13.030 12.357 -9.002 1.00 0.00 N ATOM 824 CA LYS A 52 -12.559 11.344 -8.014 1.00 0.00 C ATOM 825 C LYS A 52 -11.084 10.928 -8.240 1.00 0.00 C ATOM 826 O LYS A 52 -10.621 9.911 -7.715 1.00 0.00 O ATOM 827 CB LYS A 52 -13.516 10.117 -8.004 1.00 0.00 C ATOM 828 CG LYS A 52 -14.995 10.469 -7.692 1.00 0.00 C ATOM 829 CD LYS A 52 -15.200 11.084 -6.282 1.00 0.00 C ATOM 830 CE LYS A 52 -14.848 10.107 -5.144 1.00 0.00 C ATOM 831 NZ LYS A 52 -15.629 8.845 -5.236 1.00 0.00 N ATOM 0 H LYS A 52 -13.280 13.245 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.585 11.808 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.468 9.625 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.161 9.399 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.359 11.171 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.601 9.567 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.585 11.979 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.238 11.398 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.783 9.878 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.041 10.584 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.492 8.288 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.638 9.069 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.303 8.294 -6.056 1.00 0.00 H new ATOM 845 N GLN A 53 -10.360 11.770 -8.985 1.00 0.00 N ATOM 846 CA GLN A 53 -8.928 11.617 -9.274 1.00 0.00 C ATOM 847 C GLN A 53 -8.088 11.889 -8.010 1.00 0.00 C ATOM 848 O GLN A 53 -7.101 11.191 -7.746 1.00 0.00 O ATOM 849 CB GLN A 53 -8.533 12.601 -10.401 1.00 0.00 C ATOM 850 CG GLN A 53 -9.364 12.474 -11.694 1.00 0.00 C ATOM 851 CD GLN A 53 -9.165 11.154 -12.438 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.072 10.577 -12.436 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.222 10.652 -13.062 1.00 0.00 N ATOM 0 H GLN A 53 -10.765 12.601 -9.416 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.733 10.594 -9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.628 13.619 -10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.482 12.448 -10.645 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.420 12.583 -11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.106 13.297 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.110 11.153 -13.045 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.147 9.765 -13.559 1.00 0.00 H new ATOM 862 N ILE A 54 -8.498 12.919 -7.240 1.00 0.00 N ATOM 863 CA ILE A 54 -7.875 13.272 -5.940 1.00 0.00 C ATOM 864 C ILE A 54 -8.953 13.462 -4.862 1.00 0.00 C ATOM 865 O ILE A 54 -10.155 13.537 -5.158 1.00 0.00 O ATOM 866 CB ILE A 54 -6.993 14.584 -6.017 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.837 15.785 -6.544 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.732 14.360 -6.878 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.087 17.098 -6.695 1.00 0.00 C ATOM 0 H ILE A 54 -9.271 13.532 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.219 12.441 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.658 14.827 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.257 15.514 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.676 15.942 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.147 15.279 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.131 13.562 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.027 14.080 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.767 17.865 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.690 17.404 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.265 16.969 -7.399 1.00 0.00 H new ATOM 881 N ALA A 55 -8.485 13.539 -3.611 1.00 0.00 N ATOM 882 CA ALA A 55 -9.296 13.880 -2.440 1.00 0.00 C ATOM 883 C ALA A 55 -9.330 15.417 -2.284 1.00 0.00 C ATOM 884 O ALA A 55 -8.396 16.096 -2.733 1.00 0.00 O ATOM 885 CB ALA A 55 -8.695 13.211 -1.185 1.00 0.00 C ATOM 0 H ALA A 55 -7.507 13.361 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.316 13.516 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.298 13.465 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.686 12.129 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.675 13.566 -1.036 1.00 0.00 H new ATOM 891 N PRO A 56 -10.405 16.004 -1.678 1.00 0.00 N ATOM 892 CA PRO A 56 -10.446 17.452 -1.390 1.00 0.00 C ATOM 893 C PRO A 56 -9.537 17.834 -0.199 1.00 0.00 C ATOM 894 O PRO A 56 -9.239 17.014 0.674 1.00 0.00 O ATOM 895 CB PRO A 56 -11.942 17.708 -1.083 1.00 0.00 C ATOM 896 CG PRO A 56 -12.438 16.408 -0.529 1.00 0.00 C ATOM 897 CD PRO A 56 -11.670 15.328 -1.267 1.00 0.00 C ATOM 0 HA PRO A 56 -10.072 18.058 -2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.067 18.519 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.489 17.991 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.263 16.348 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.512 16.300 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.474 14.469 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.226 14.962 -2.130 1.00 0.00 H new ATOM 905 N LEU A 57 -9.060 19.072 -0.227 1.00 0.00 N ATOM 906 CA LEU A 57 -8.355 19.707 0.886 1.00 0.00 C ATOM 907 C LEU A 57 -9.378 20.368 1.830 1.00 0.00 C ATOM 908 O LEU A 57 -10.498 20.674 1.397 1.00 0.00 O ATOM 909 CB LEU A 57 -7.386 20.774 0.319 1.00 0.00 C ATOM 910 CG LEU A 57 -6.226 20.226 -0.562 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.544 21.362 -1.343 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.199 19.438 0.290 1.00 0.00 C ATOM 0 H LEU A 57 -9.153 19.679 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.789 18.963 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.963 21.486 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.955 21.328 1.153 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.655 19.533 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.737 20.952 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.274 21.848 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.137 22.091 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.401 19.068 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.777 20.095 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.696 18.596 0.773 1.00 0.00 H new ATOM 924 N PRO A 58 -9.027 20.591 3.134 1.00 0.00 N ATOM 925 CA PRO A 58 -9.876 21.385 4.047 1.00 0.00 C ATOM 926 C PRO A 58 -9.856 22.889 3.676 1.00 0.00 C ATOM 927 O PRO A 58 -8.862 23.381 3.119 1.00 0.00 O ATOM 928 CB PRO A 58 -9.233 21.128 5.435 1.00 0.00 C ATOM 929 CG PRO A 58 -7.797 20.830 5.134 1.00 0.00 C ATOM 930 CD PRO A 58 -7.811 20.067 3.831 1.00 0.00 C ATOM 0 HA PRO A 58 -10.928 21.104 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.330 21.998 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.713 20.293 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.215 21.748 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.343 20.240 5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.906 20.247 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.875 18.991 3.996 1.00 0.00 H new ATOM 938 N ASP A 59 -10.950 23.605 4.000 1.00 0.00 N ATOM 939 CA ASP A 59 -11.059 25.069 3.789 1.00 0.00 C ATOM 940 C ASP A 59 -10.079 25.821 4.703 1.00 0.00 C ATOM 941 O ASP A 59 -9.708 26.960 4.417 1.00 0.00 O ATOM 942 CB ASP A 59 -12.505 25.554 4.058 1.00 0.00 C ATOM 943 CG ASP A 59 -13.534 24.890 3.134 1.00 0.00 C ATOM 944 OD1 ASP A 59 -14.051 23.802 3.491 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.821 25.438 2.048 1.00 0.00 O ATOM 0 H ASP A 59 -11.784 23.189 4.415 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.805 25.280 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.767 25.346 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.551 26.635 3.929 1.00 0.00 H new ATOM 950 N SER A 60 -9.696 25.159 5.815 1.00 0.00 N ATOM 951 CA SER A 60 -8.652 25.638 6.735 1.00 0.00 C ATOM 952 C SER A 60 -7.318 25.823 5.983 1.00 0.00 C ATOM 953 O SER A 60 -6.584 26.788 6.230 1.00 0.00 O ATOM 954 CB SER A 60 -8.486 24.644 7.906 1.00 0.00 C ATOM 955 OG SER A 60 -7.522 25.101 8.845 1.00 0.00 O ATOM 0 H SER A 60 -10.108 24.270 6.099 1.00 0.00 H new ATOM 0 HA SER A 60 -8.951 26.605 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.445 24.505 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.185 23.671 7.518 1.00 0.00 H new ATOM 0 HG SER A 60 -7.442 24.451 9.574 1.00 0.00 H new ATOM 961 N LYS A 61 -7.023 24.884 5.063 1.00 0.00 N ATOM 962 CA LYS A 61 -5.888 25.007 4.138 1.00 0.00 C ATOM 963 C LYS A 61 -6.383 25.625 2.812 1.00 0.00 C ATOM 964 O LYS A 61 -6.519 26.850 2.730 1.00 0.00 O ATOM 965 CB LYS A 61 -5.180 23.634 3.937 1.00 0.00 C ATOM 966 CG LYS A 61 -4.571 22.982 5.213 1.00 0.00 C ATOM 967 CD LYS A 61 -3.335 23.723 5.819 1.00 0.00 C ATOM 968 CE LYS A 61 -3.686 24.885 6.774 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.468 25.544 7.314 1.00 0.00 N ATOM 0 H LYS A 61 -7.562 24.027 4.943 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.135 25.673 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.899 22.937 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.383 23.763 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.347 22.922 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.279 21.959 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.723 23.000 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.725 24.112 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.292 25.620 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.291 24.508 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.745 26.318 7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.902 24.849 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.903 25.927 6.529 1.00 0.00 H new ATOM 983 N LEU A 62 -6.688 24.766 1.794 1.00 0.00 N ATOM 984 CA LEU A 62 -7.127 25.190 0.435 1.00 0.00 C ATOM 985 C LEU A 62 -6.138 26.219 -0.187 1.00 0.00 C ATOM 986 O LEU A 62 -6.488 26.970 -1.106 1.00 0.00 O ATOM 987 CB LEU A 62 -8.617 25.726 0.480 1.00 0.00 C ATOM 988 CG LEU A 62 -9.599 25.223 -0.641 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.270 25.814 -2.031 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.626 23.681 -0.686 1.00 0.00 C ATOM 0 H LEU A 62 -6.634 23.753 1.898 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.114 24.321 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.043 25.458 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.585 26.815 0.437 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.594 25.584 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.979 25.433 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.339 26.901 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.259 25.526 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.311 23.352 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.625 23.306 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.961 23.295 0.277 1.00 0.00 H new ATOM 1002 N ASP A 63 -4.892 26.201 0.314 1.00 0.00 N ATOM 1003 CA ASP A 63 -3.825 27.129 -0.089 1.00 0.00 C ATOM 1004 C ASP A 63 -3.346 26.785 -1.497 1.00 0.00 C ATOM 1005 O ASP A 63 -3.329 25.616 -1.855 1.00 0.00 O ATOM 1006 CB ASP A 63 -2.658 27.055 0.937 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.367 27.773 0.493 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.391 29.009 0.307 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.340 27.092 0.280 1.00 0.00 O ATOM 0 H ASP A 63 -4.594 25.530 1.022 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.207 28.150 -0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.993 27.487 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.427 26.007 1.130 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.943 27.816 -2.267 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.529 27.659 -3.670 1.00 0.00 C ATOM 1016 C GLY A 64 -1.417 26.629 -3.862 1.00 0.00 C ATOM 1017 O GLY A 64 -1.422 25.894 -4.847 1.00 0.00 O ATOM 0 H GLY A 64 -2.897 28.778 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.393 27.365 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.192 28.623 -4.052 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.481 26.565 -2.895 1.00 0.00 N ATOM 1022 CA ALA A 65 0.615 25.580 -2.903 1.00 0.00 C ATOM 1023 C ALA A 65 0.099 24.183 -2.520 1.00 0.00 C ATOM 1024 O ALA A 65 0.565 23.193 -3.063 1.00 0.00 O ATOM 1025 CB ALA A 65 1.751 26.027 -1.973 1.00 0.00 C ATOM 0 H ALA A 65 -0.464 27.192 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 65 1.014 25.520 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.550 25.286 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.139 26.989 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.372 26.124 -0.956 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.882 24.116 -1.591 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.513 22.828 -1.182 1.00 0.00 C ATOM 1033 C ASN A 66 -2.280 22.206 -2.366 1.00 0.00 C ATOM 1034 O ASN A 66 -2.333 20.977 -2.511 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.475 23.005 0.032 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.791 23.373 1.360 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -2.221 22.930 2.423 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -0.757 24.207 1.329 1.00 0.00 N ATOM 0 H ASN A 66 -1.257 24.933 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.708 22.160 -0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.202 23.780 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.031 22.078 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.305 24.491 2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.416 24.563 0.436 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.886 23.083 -3.193 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.547 22.699 -4.452 1.00 0.00 C ATOM 1047 C ILE A 67 -2.517 22.034 -5.386 1.00 0.00 C ATOM 1048 O ILE A 67 -2.766 20.965 -5.952 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.169 23.960 -5.180 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.210 24.716 -4.287 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.803 23.563 -6.522 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.450 23.926 -3.925 1.00 0.00 C ATOM 0 H ILE A 67 -2.929 24.084 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.352 22.003 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.345 24.648 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.716 25.026 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.517 25.624 -4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.223 24.447 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.042 23.126 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.594 22.834 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.105 24.540 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.976 23.638 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.163 23.031 -3.373 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.350 22.692 -5.491 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.227 22.238 -6.326 1.00 0.00 C ATOM 1066 C LYS A 68 0.292 20.859 -5.884 1.00 0.00 C ATOM 1067 O LYS A 68 0.696 20.059 -6.729 1.00 0.00 O ATOM 1068 CB LYS A 68 0.912 23.287 -6.290 1.00 0.00 C ATOM 1069 CG LYS A 68 0.561 24.623 -6.972 1.00 0.00 C ATOM 1070 CD LYS A 68 1.737 25.616 -6.977 1.00 0.00 C ATOM 1071 CE LYS A 68 1.360 26.975 -7.590 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.518 27.910 -7.619 1.00 0.00 N ATOM 0 H LYS A 68 -1.159 23.562 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.588 22.134 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.179 23.481 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.794 22.866 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.249 24.431 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.288 25.075 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.085 25.766 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.568 25.187 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.988 26.826 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.548 27.420 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.223 28.815 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.857 28.073 -6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.284 27.497 -8.189 1.00 0.00 H new ATOM 1086 N HIS A 69 0.268 20.597 -4.559 1.00 0.00 N ATOM 1087 CA HIS A 69 0.638 19.285 -3.990 1.00 0.00 C ATOM 1088 C HIS A 69 -0.300 18.188 -4.532 1.00 0.00 C ATOM 1089 O HIS A 69 0.164 17.154 -5.018 1.00 0.00 O ATOM 1090 CB HIS A 69 0.584 19.317 -2.439 1.00 0.00 C ATOM 1091 CG HIS A 69 1.690 20.094 -1.760 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.232 21.251 -2.269 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.344 19.873 -0.589 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.151 21.709 -1.450 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.243 20.895 -0.422 1.00 0.00 N ATOM 0 H HIS A 69 -0.007 21.285 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 69 1.661 19.059 -4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.373 19.742 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.607 18.291 -2.072 1.00 0.00 H new ATOM 0 HD1 HIS A 69 1.961 21.688 -3.150 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.185 19.045 0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.734 22.606 -1.597 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.622 18.449 -4.461 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.662 17.531 -4.983 1.00 0.00 C ATOM 1106 C ARG A 70 -2.408 17.181 -6.463 1.00 0.00 C ATOM 1107 O ARG A 70 -2.364 15.997 -6.831 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.082 18.152 -4.827 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.690 18.084 -3.411 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.863 16.630 -2.919 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.794 16.527 -1.777 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.568 15.867 -0.628 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.379 15.337 -0.367 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.548 15.747 0.252 1.00 0.00 N ATOM 0 H ARG A 70 -2.000 19.299 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.610 16.615 -4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.037 19.197 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.757 17.646 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.049 18.627 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.659 18.584 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.230 16.013 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.891 16.230 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.692 17.001 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.621 15.428 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.224 14.839 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.463 16.153 0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.389 15.248 1.128 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.206 18.231 -7.279 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.000 18.100 -8.734 1.00 0.00 C ATOM 1130 C LEU A 71 -0.724 17.300 -9.056 1.00 0.00 C ATOM 1131 O LEU A 71 -0.704 16.487 -9.989 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.903 19.505 -9.393 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.105 20.474 -9.166 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -2.965 21.747 -10.022 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.459 19.782 -9.422 1.00 0.00 C ATOM 0 H LEU A 71 -2.181 19.196 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.857 17.560 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.000 19.992 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.775 19.368 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.084 20.768 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.817 22.402 -9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.045 22.266 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.933 21.474 -11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.268 20.492 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.497 19.427 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.570 18.937 -8.743 1.00 0.00 H new ATOM 1147 N ALA A 72 0.322 17.548 -8.257 1.00 0.00 N ATOM 1148 CA ALA A 72 1.658 16.994 -8.476 1.00 0.00 C ATOM 1149 C ALA A 72 1.708 15.483 -8.205 1.00 0.00 C ATOM 1150 O ALA A 72 2.153 14.710 -9.065 1.00 0.00 O ATOM 1151 CB ALA A 72 2.666 17.743 -7.610 1.00 0.00 C ATOM 0 H ALA A 72 0.260 18.146 -7.433 1.00 0.00 H new ATOM 0 HA ALA A 72 1.917 17.128 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.662 17.331 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.662 18.799 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.395 17.634 -6.560 1.00 0.00 H new ATOM 1157 N LEU A 73 1.243 15.061 -7.013 1.00 0.00 N ATOM 1158 CA LEU A 73 1.211 13.629 -6.645 1.00 0.00 C ATOM 1159 C LEU A 73 0.217 12.855 -7.529 1.00 0.00 C ATOM 1160 O LEU A 73 0.443 11.665 -7.829 1.00 0.00 O ATOM 1161 CB LEU A 73 0.897 13.403 -5.137 1.00 0.00 C ATOM 1162 CG LEU A 73 2.074 13.708 -4.140 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.168 15.205 -3.782 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.981 12.827 -2.875 1.00 0.00 C ATOM 0 H LEU A 73 0.886 15.686 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 73 2.214 13.240 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.045 14.026 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.590 12.366 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 73 2.999 13.453 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.996 15.363 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.336 15.786 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.238 15.526 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.809 13.062 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.037 13.020 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.031 11.776 -3.159 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.871 13.540 -7.950 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.855 12.975 -8.890 1.00 0.00 C ATOM 1178 C TRP A 74 -1.173 12.548 -10.198 1.00 0.00 C ATOM 1179 O TRP A 74 -1.213 11.373 -10.570 1.00 0.00 O ATOM 1180 CB TRP A 74 -2.991 13.990 -9.207 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.928 13.512 -10.294 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.863 12.525 -10.193 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -3.990 13.981 -11.650 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.473 12.330 -11.405 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -4.964 13.216 -12.310 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.314 14.972 -12.366 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.274 13.404 -13.647 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.622 15.162 -13.698 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.598 14.381 -14.323 1.00 0.00 C ATOM 0 H TRP A 74 -1.087 14.490 -7.649 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.295 12.102 -8.409 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.564 14.180 -8.299 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.548 14.939 -9.509 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.090 11.977 -9.290 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.193 11.634 -11.600 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.562 15.580 -11.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.023 12.800 -14.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.103 15.922 -14.263 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.824 14.554 -15.365 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.543 13.526 -10.875 1.00 0.00 N ATOM 1201 CA ILE A 75 0.059 13.316 -12.199 1.00 0.00 C ATOM 1202 C ILE A 75 1.282 12.388 -12.101 1.00 0.00 C ATOM 1203 O ILE A 75 1.597 11.685 -13.051 1.00 0.00 O ATOM 1204 CB ILE A 75 0.430 14.678 -12.900 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.776 14.484 -14.414 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.582 15.387 -12.173 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.326 13.837 -15.236 1.00 0.00 C ATOM 0 H ILE A 75 -0.439 14.477 -10.520 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.689 12.830 -12.825 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.455 15.311 -12.841 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.011 15.456 -14.847 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.676 13.874 -14.492 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.813 16.323 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.289 15.596 -11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.463 14.746 -12.176 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.001 13.742 -16.272 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.548 12.849 -14.833 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.223 14.456 -15.194 1.00 0.00 H new ATOM 1219 N HIS A 76 1.934 12.358 -10.924 1.00 0.00 N ATOM 1220 CA HIS A 76 3.085 11.471 -10.683 1.00 0.00 C ATOM 1221 C HIS A 76 2.622 9.998 -10.659 1.00 0.00 C ATOM 1222 O HIS A 76 3.333 9.107 -11.143 1.00 0.00 O ATOM 1223 CB HIS A 76 3.823 11.860 -9.364 1.00 0.00 C ATOM 1224 CG HIS A 76 5.291 11.522 -9.370 1.00 0.00 C ATOM 1225 ND1 HIS A 76 6.029 11.276 -8.240 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.165 11.462 -10.399 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.288 11.085 -8.579 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.396 11.183 -9.881 1.00 0.00 N ATOM 0 H HIS A 76 1.682 12.939 -10.125 1.00 0.00 H new ATOM 0 HA HIS A 76 3.797 11.591 -11.499 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.706 12.930 -9.195 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.345 11.351 -8.527 1.00 0.00 H new ATOM 0 HD1 HIS A 76 5.662 11.246 -7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.931 11.608 -11.443 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.099 10.881 -7.895 1.00 0.00 H new ATOM 1237 N ALA A 77 1.425 9.769 -10.092 1.00 0.00 N ATOM 1238 CA ALA A 77 0.764 8.447 -10.106 1.00 0.00 C ATOM 1239 C ALA A 77 0.107 8.148 -11.479 1.00 0.00 C ATOM 1240 O ALA A 77 0.012 6.984 -11.885 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.273 8.382 -8.975 1.00 0.00 C ATOM 0 H ALA A 77 0.888 10.491 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 77 1.522 7.680 -9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.761 7.407 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.224 8.529 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.019 9.163 -9.120 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.334 9.212 -12.183 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.032 9.102 -13.489 1.00 0.00 C ATOM 1249 C ALA A 78 -0.057 8.736 -14.627 1.00 0.00 C ATOM 1250 O ALA A 78 -0.441 8.086 -15.608 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.779 10.411 -13.806 1.00 0.00 C ATOM 0 H ALA A 78 -0.218 10.174 -11.865 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.759 8.293 -13.414 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.286 10.317 -14.766 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.513 10.609 -13.025 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.067 11.235 -13.851 1.00 0.00 H new ATOM 1257 N LEU A 79 1.200 9.190 -14.494 1.00 0.00 N ATOM 1258 CA LEU A 79 2.302 8.810 -15.387 1.00 0.00 C ATOM 1259 C LEU A 79 2.800 7.398 -14.988 1.00 0.00 C ATOM 1260 O LEU A 79 3.306 7.239 -13.872 1.00 0.00 O ATOM 1261 CB LEU A 79 3.457 9.859 -15.293 1.00 0.00 C ATOM 1262 CG LEU A 79 3.110 11.315 -15.767 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.285 12.300 -15.514 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.670 11.337 -17.251 1.00 0.00 C ATOM 0 H LEU A 79 1.480 9.837 -13.757 1.00 0.00 H new ATOM 0 HA LEU A 79 1.956 8.789 -16.420 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.793 9.907 -14.257 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.298 9.497 -15.885 1.00 0.00 H new ATOM 0 HG LEU A 79 2.267 11.655 -15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.005 13.296 -15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.510 12.332 -14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.166 11.963 -16.061 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.437 12.360 -17.546 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.477 10.954 -17.875 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.785 10.713 -17.378 1.00 0.00 H new ATOM 1276 N PRO A 80 2.644 6.349 -15.875 1.00 0.00 N ATOM 1277 CA PRO A 80 3.042 4.950 -15.547 1.00 0.00 C ATOM 1278 C PRO A 80 4.567 4.784 -15.354 1.00 0.00 C ATOM 1279 O PRO A 80 5.017 3.870 -14.659 1.00 0.00 O ATOM 1280 CB PRO A 80 2.528 4.139 -16.770 1.00 0.00 C ATOM 1281 CG PRO A 80 2.487 5.133 -17.888 1.00 0.00 C ATOM 1282 CD PRO A 80 2.058 6.433 -17.247 1.00 0.00 C ATOM 0 HA PRO A 80 2.623 4.617 -14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.193 3.307 -17.003 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.542 3.715 -16.579 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.463 5.232 -18.363 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.785 4.825 -18.663 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.437 7.296 -17.794 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.973 6.527 -17.216 1.00 0.00 H new ATOM 1290 N ASP A 81 5.344 5.684 -15.978 1.00 0.00 N ATOM 1291 CA ASP A 81 6.817 5.694 -15.870 1.00 0.00 C ATOM 1292 C ASP A 81 7.266 6.362 -14.551 1.00 0.00 C ATOM 1293 O ASP A 81 8.428 6.219 -14.147 1.00 0.00 O ATOM 1294 CB ASP A 81 7.431 6.421 -17.095 1.00 0.00 C ATOM 1295 CG ASP A 81 7.060 5.766 -18.441 1.00 0.00 C ATOM 1296 OD1 ASP A 81 5.964 6.060 -18.979 1.00 0.00 O ATOM 1297 OD2 ASP A 81 7.866 4.973 -18.978 1.00 0.00 O ATOM 0 H ASP A 81 4.972 6.425 -16.572 1.00 0.00 H new ATOM 0 HA ASP A 81 7.175 4.664 -15.859 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.096 7.458 -17.099 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.516 6.437 -16.993 1.00 0.00 H new ATOM 1302 N ASN A 82 6.314 7.081 -13.900 1.00 0.00 N ATOM 1303 CA ASN A 82 6.531 7.840 -12.647 1.00 0.00 C ATOM 1304 C ASN A 82 7.725 8.808 -12.814 1.00 0.00 C ATOM 1305 O ASN A 82 8.669 8.831 -12.018 1.00 0.00 O ATOM 1306 CB ASN A 82 6.673 6.884 -11.422 1.00 0.00 C ATOM 1307 CG ASN A 82 6.684 7.627 -10.076 1.00 0.00 C ATOM 1308 OD1 ASN A 82 7.741 7.906 -9.498 1.00 0.00 O ATOM 1309 ND2 ASN A 82 5.506 7.989 -9.591 1.00 0.00 N ATOM 0 H ASN A 82 5.355 7.148 -14.242 1.00 0.00 H new ATOM 0 HA ASN A 82 5.653 8.452 -12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.850 6.169 -11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.594 6.310 -11.521 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.453 8.513 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.651 7.744 -10.091 1.00 0.00 H new ATOM 1316 N ASP A 83 7.644 9.590 -13.898 1.00 0.00 N ATOM 1317 CA ASP A 83 8.706 10.501 -14.354 1.00 0.00 C ATOM 1318 C ASP A 83 9.029 11.566 -13.282 1.00 0.00 C ATOM 1319 O ASP A 83 8.118 12.039 -12.606 1.00 0.00 O ATOM 1320 CB ASP A 83 8.258 11.198 -15.671 1.00 0.00 C ATOM 1321 CG ASP A 83 7.800 10.207 -16.762 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.613 9.797 -16.747 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.612 9.845 -17.640 1.00 0.00 O ATOM 0 H ASP A 83 6.819 9.608 -14.498 1.00 0.00 H new ATOM 0 HA ASP A 83 9.609 9.917 -14.531 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.442 11.887 -15.450 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.084 11.796 -16.057 1.00 0.00 H new ATOM 1328 N PRO A 84 10.327 11.956 -13.093 1.00 0.00 N ATOM 1329 CA PRO A 84 10.692 13.094 -12.210 1.00 0.00 C ATOM 1330 C PRO A 84 10.367 14.460 -12.859 1.00 0.00 C ATOM 1331 O PRO A 84 10.396 15.496 -12.184 1.00 0.00 O ATOM 1332 CB PRO A 84 12.218 12.901 -12.025 1.00 0.00 C ATOM 1333 CG PRO A 84 12.665 12.258 -13.302 1.00 0.00 C ATOM 1334 CD PRO A 84 11.538 11.324 -13.698 1.00 0.00 C ATOM 0 HA PRO A 84 10.137 13.102 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.723 13.853 -11.861 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.438 12.271 -11.163 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.847 13.004 -14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.597 11.711 -13.161 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.448 11.241 -14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.699 10.317 -13.314 1.00 0.00 H new ATOM 1342 N LEU A 85 10.050 14.410 -14.180 1.00 0.00 N ATOM 1343 CA LEU A 85 9.869 15.580 -15.053 1.00 0.00 C ATOM 1344 C LEU A 85 11.152 16.431 -15.089 1.00 0.00 C ATOM 1345 O LEU A 85 11.113 17.636 -15.272 1.00 0.00 O ATOM 1346 CB LEU A 85 8.589 16.400 -14.699 1.00 0.00 C ATOM 1347 CG LEU A 85 7.227 15.704 -15.042 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.836 14.625 -14.018 1.00 0.00 C ATOM 1349 CD2 LEU A 85 6.102 16.737 -15.220 1.00 0.00 C ATOM 0 H LEU A 85 9.912 13.527 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 85 9.696 15.220 -16.067 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.605 16.623 -13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.632 17.354 -15.225 1.00 0.00 H new ATOM 0 HG LEU A 85 7.372 15.192 -15.993 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.885 14.177 -14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.606 13.854 -13.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.739 15.078 -13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.170 16.223 -15.457 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.979 17.304 -14.297 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.358 17.417 -16.032 1.00 0.00 H new ATOM 1361 N LYS A 86 12.302 15.750 -14.947 1.00 0.00 N ATOM 1362 CA LYS A 86 13.630 16.353 -15.037 1.00 0.00 C ATOM 1363 C LYS A 86 14.330 15.799 -16.301 1.00 0.00 C ATOM 1364 O LYS A 86 14.816 14.642 -16.266 1.00 0.00 O ATOM 1365 CB LYS A 86 14.441 16.044 -13.747 1.00 0.00 C ATOM 1366 CG LYS A 86 13.837 16.636 -12.453 1.00 0.00 C ATOM 1367 CD LYS A 86 14.705 16.360 -11.199 1.00 0.00 C ATOM 1368 CE LYS A 86 16.085 17.042 -11.245 1.00 0.00 C ATOM 1369 NZ LYS A 86 16.899 16.736 -10.034 1.00 0.00 N ATOM 1370 OXT LYS A 86 14.367 16.505 -17.330 1.00 0.00 O ATOM 0 H LYS A 86 12.328 14.747 -14.763 1.00 0.00 H new ATOM 0 HA LYS A 86 13.557 17.437 -15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.521 14.963 -13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.454 16.428 -13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.716 17.712 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.842 16.218 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.169 16.702 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.844 15.284 -11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.622 16.714 -12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.954 18.121 -11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.820 17.214 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.399 17.071 -9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.047 15.709 -9.965 1.00 0.00 H new TER 1384 LYS A 86