USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ -165:sc= 0.311 (180deg=0) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.284 USER MOD Set 2.1: A 39 ASN : amide:sc= 0.192 K(o=1.4,f=-8!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -106:sc= 1.19 (180deg=-1.38!) USER MOD Single : A 2 SER OG : rot 36:sc= 0.115 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.14) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.327 K(o=0.33,f=-0.94) USER MOD Single : A 17 THR OG1 : rot 109:sc= 0.406 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00955 (180deg=-0.172) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00575 USER MOD Single : A 28 TYR OH : rot 49:sc= 0.435 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0213 K(o=-0.021,f=-2.6!) USER MOD Single : A 35 THR OG1 : rot 89:sc= 0.747 USER MOD Single : A 41 LYS NZ :NH3+ 133:sc= 1.32 (180deg=-0.609) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc=-0.000344 (180deg=-0.108) USER MOD Single : A 65 SER OG : rot -82:sc= 1.1 USER MOD Single : A 66 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00767) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.0883 USER MOD Single : A 79 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.256 10.526 -0.364 1.00 0.00 N ATOM 20 CA SER A 2 -8.781 9.345 0.288 1.00 0.00 C ATOM 21 C SER A 2 -9.733 8.719 1.248 1.00 0.00 C ATOM 22 O SER A 2 -9.378 7.785 1.965 1.00 0.00 O ATOM 23 CB SER A 2 -7.539 9.673 1.136 1.00 0.00 C ATOM 24 OG SER A 2 -6.524 10.231 0.313 1.00 0.00 O ATOM 0 HA SER A 2 -8.598 8.655 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.803 10.374 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.170 8.769 1.621 1.00 0.00 H new ATOM 0 HG SER A 2 -6.935 10.791 -0.378 1.00 0.00 H new ATOM 30 N GLN A 3 -10.999 9.169 1.295 1.00 0.00 N ATOM 31 CA GLN A 3 -11.991 8.681 2.202 1.00 0.00 C ATOM 32 C GLN A 3 -12.254 7.232 1.975 1.00 0.00 C ATOM 33 O GLN A 3 -12.210 6.406 2.886 1.00 0.00 O ATOM 34 CB GLN A 3 -13.296 9.487 2.084 1.00 0.00 C ATOM 35 CG GLN A 3 -13.132 10.964 2.452 1.00 0.00 C ATOM 36 CD GLN A 3 -14.426 11.757 2.332 1.00 0.00 C ATOM 37 OE1 GLN A 3 -14.596 12.625 1.477 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.396 11.480 3.245 1.00 0.00 N ATOM 0 H GLN A 3 -11.346 9.902 0.676 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.603 8.807 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.669 9.414 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.050 9.040 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.761 11.038 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.377 11.412 1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.243 10.758 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.277 11.994 3.226 1.00 0.00 H new ATOM 47 N LEU A 4 -12.429 6.880 0.690 1.00 0.00 N ATOM 48 CA LEU A 4 -12.605 5.565 0.156 1.00 0.00 C ATOM 49 C LEU A 4 -11.353 4.760 0.215 1.00 0.00 C ATOM 50 O LEU A 4 -11.390 3.546 0.407 1.00 0.00 O ATOM 51 CB LEU A 4 -12.998 5.608 -1.331 1.00 0.00 C ATOM 52 CG LEU A 4 -12.312 6.744 -2.110 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.016 6.387 -3.576 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.125 8.049 -2.106 1.00 0.00 C ATOM 0 H LEU A 4 -12.449 7.586 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.387 5.115 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.744 4.655 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.079 5.723 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.373 6.890 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.532 7.232 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.356 5.520 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.949 6.155 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.590 8.813 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.098 7.873 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.264 8.388 -1.079 1.00 0.00 H new ATOM 66 N PHE A 5 -10.184 5.403 0.041 1.00 0.00 N ATOM 67 CA PHE A 5 -8.895 4.786 0.103 1.00 0.00 C ATOM 68 C PHE A 5 -8.687 4.195 1.455 1.00 0.00 C ATOM 69 O PHE A 5 -8.393 3.009 1.593 1.00 0.00 O ATOM 70 CB PHE A 5 -7.864 5.868 -0.260 1.00 0.00 C ATOM 71 CG PHE A 5 -6.439 5.465 -0.095 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.874 5.446 1.159 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.662 5.184 -1.194 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.553 5.102 1.332 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.334 4.861 -1.044 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.793 4.827 0.220 1.00 0.00 C ATOM 0 H PHE A 5 -10.136 6.403 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.793 3.959 -0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.023 6.166 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.050 6.747 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.475 5.704 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.098 5.217 -2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.122 5.049 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.724 4.637 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.749 4.579 0.342 1.00 0.00 H new ATOM 86 N GLU A 6 -8.893 4.987 2.522 1.00 0.00 N ATOM 87 CA GLU A 6 -8.701 4.519 3.859 1.00 0.00 C ATOM 88 C GLU A 6 -9.830 3.655 4.305 1.00 0.00 C ATOM 89 O GLU A 6 -9.675 2.817 5.191 1.00 0.00 O ATOM 90 CB GLU A 6 -8.449 5.655 4.865 1.00 0.00 C ATOM 91 CG GLU A 6 -7.001 6.150 4.850 1.00 0.00 C ATOM 92 CD GLU A 6 -6.716 7.083 6.018 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.044 6.719 7.179 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.170 8.198 5.802 1.00 0.00 O ATOM 0 H GLU A 6 -9.195 5.959 2.457 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.795 3.914 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.115 6.488 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.699 5.308 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.324 5.297 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.803 6.669 3.912 1.00 0.00 H new ATOM 101 N GLU A 7 -11.008 3.769 3.667 1.00 0.00 N ATOM 102 CA GLU A 7 -12.067 2.817 3.811 1.00 0.00 C ATOM 103 C GLU A 7 -11.712 1.459 3.310 1.00 0.00 C ATOM 104 O GLU A 7 -11.799 0.474 4.040 1.00 0.00 O ATOM 105 CB GLU A 7 -13.380 3.400 3.263 1.00 0.00 C ATOM 106 CG GLU A 7 -14.168 2.623 2.207 1.00 0.00 C ATOM 107 CD GLU A 7 -15.653 2.958 2.182 1.00 0.00 C ATOM 108 OE1 GLU A 7 -16.139 3.738 3.043 1.00 0.00 O ATOM 109 OE2 GLU A 7 -16.360 2.413 1.293 1.00 0.00 O ATOM 0 H GLU A 7 -11.231 4.540 3.037 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.233 2.639 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.044 3.562 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.152 4.380 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.742 2.828 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.049 1.555 2.390 1.00 0.00 H new ATOM 116 N LYS A 8 -11.250 1.323 2.053 1.00 0.00 N ATOM 117 CA LYS A 8 -11.005 0.054 1.444 1.00 0.00 C ATOM 118 C LYS A 8 -9.654 -0.514 1.716 1.00 0.00 C ATOM 119 O LYS A 8 -9.495 -1.733 1.687 1.00 0.00 O ATOM 120 CB LYS A 8 -11.235 0.106 -0.076 1.00 0.00 C ATOM 121 CG LYS A 8 -12.649 0.465 -0.535 1.00 0.00 C ATOM 122 CD LYS A 8 -13.720 -0.421 0.106 1.00 0.00 C ATOM 123 CE LYS A 8 -15.058 -0.493 -0.633 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.677 0.842 -0.797 1.00 0.00 N ATOM 0 H LYS A 8 -11.042 2.116 1.446 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.728 -0.614 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.542 0.832 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.976 -0.866 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.852 1.508 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.709 0.374 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.322 -1.432 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.905 -0.060 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.906 -0.944 -1.613 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.740 -1.143 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.499 0.768 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.986 1.198 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.982 1.499 -1.206 1.00 0.00 H new ATOM 138 N ALA A 9 -8.616 0.287 2.010 1.00 0.00 N ATOM 139 CA ALA A 9 -7.287 -0.209 2.193 1.00 0.00 C ATOM 140 C ALA A 9 -7.117 -1.053 3.409 1.00 0.00 C ATOM 141 O ALA A 9 -6.570 -2.153 3.425 1.00 0.00 O ATOM 142 CB ALA A 9 -6.308 0.971 2.323 1.00 0.00 C ATOM 0 H ALA A 9 -8.700 1.297 2.123 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.085 -0.828 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.296 0.591 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.346 1.577 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.587 1.582 3.181 1.00 0.00 H new ATOM 148 N LYS A 10 -7.695 -0.517 4.499 1.00 0.00 N ATOM 149 CA LYS A 10 -7.884 -1.135 5.774 1.00 0.00 C ATOM 150 C LYS A 10 -8.681 -2.392 5.711 1.00 0.00 C ATOM 151 O LYS A 10 -8.492 -3.284 6.537 1.00 0.00 O ATOM 152 CB LYS A 10 -8.629 -0.064 6.587 1.00 0.00 C ATOM 153 CG LYS A 10 -7.747 1.068 7.120 1.00 0.00 C ATOM 154 CD LYS A 10 -6.822 0.682 8.276 1.00 0.00 C ATOM 155 CE LYS A 10 -7.556 0.250 9.547 1.00 0.00 C ATOM 156 NZ LYS A 10 -6.568 -0.113 10.588 1.00 0.00 N ATOM 0 H LYS A 10 -8.062 0.435 4.484 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.932 -1.441 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.411 0.367 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.124 -0.547 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.138 1.450 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.390 1.885 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.172 -0.130 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.179 1.530 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.195 1.058 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.205 -0.600 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.066 -0.407 11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.976 -0.897 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.967 0.709 10.798 1.00 0.00 H new ATOM 170 N ALA A 11 -9.563 -2.535 4.706 1.00 0.00 N ATOM 171 CA ALA A 11 -10.267 -3.747 4.427 1.00 0.00 C ATOM 172 C ALA A 11 -9.370 -4.748 3.784 1.00 0.00 C ATOM 173 O ALA A 11 -9.208 -5.844 4.319 1.00 0.00 O ATOM 174 CB ALA A 11 -11.498 -3.543 3.527 1.00 0.00 C ATOM 0 H ALA A 11 -9.794 -1.777 4.063 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.614 -4.111 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.986 -4.502 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.197 -2.863 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.185 -3.119 2.573 1.00 0.00 H new ATOM 180 N VAL A 12 -8.724 -4.437 2.646 1.00 0.00 N ATOM 181 CA VAL A 12 -7.968 -5.377 1.876 1.00 0.00 C ATOM 182 C VAL A 12 -6.793 -5.933 2.603 1.00 0.00 C ATOM 183 O VAL A 12 -6.474 -7.111 2.446 1.00 0.00 O ATOM 184 CB VAL A 12 -7.606 -4.882 0.508 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.920 -4.746 -0.279 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.781 -3.583 0.521 1.00 0.00 C ATOM 0 H VAL A 12 -8.728 -3.498 2.247 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.651 -6.212 1.721 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.942 -5.597 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.706 -4.387 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.411 -5.717 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.576 -4.037 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.556 -3.285 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.352 -2.794 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.850 -3.749 1.064 1.00 0.00 H new ATOM 196 N ASN A 13 -6.164 -5.158 3.504 1.00 0.00 N ATOM 197 CA ASN A 13 -5.071 -5.648 4.284 1.00 0.00 C ATOM 198 C ASN A 13 -5.467 -6.659 5.304 1.00 0.00 C ATOM 199 O ASN A 13 -4.671 -7.510 5.701 1.00 0.00 O ATOM 200 CB ASN A 13 -4.356 -4.494 5.006 1.00 0.00 C ATOM 201 CG ASN A 13 -3.665 -3.589 3.998 1.00 0.00 C ATOM 202 OD1 ASN A 13 -3.330 -3.949 2.870 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.376 -2.337 4.447 1.00 0.00 N ATOM 0 H ASN A 13 -6.414 -4.187 3.693 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.407 -6.135 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.076 -3.919 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.624 -4.893 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.875 -1.683 3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.660 -2.053 5.385 1.00 0.00 H new ATOM 210 N GLU A 14 -6.730 -6.599 5.763 1.00 0.00 N ATOM 211 CA GLU A 14 -7.248 -7.338 6.872 1.00 0.00 C ATOM 212 C GLU A 14 -8.174 -8.430 6.458 1.00 0.00 C ATOM 213 O GLU A 14 -8.541 -9.289 7.258 1.00 0.00 O ATOM 214 CB GLU A 14 -7.926 -6.348 7.835 1.00 0.00 C ATOM 215 CG GLU A 14 -8.305 -6.915 9.205 1.00 0.00 C ATOM 216 CD GLU A 14 -8.671 -5.841 10.219 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.788 -5.017 10.582 1.00 0.00 O ATOM 218 OE2 GLU A 14 -9.836 -5.823 10.698 1.00 0.00 O ATOM 0 H GLU A 14 -7.432 -5.997 5.333 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.423 -7.842 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.259 -5.499 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.828 -5.964 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.147 -7.597 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.471 -7.501 9.591 1.00 0.00 H new ATOM 225 N LEU A 15 -8.573 -8.474 5.174 1.00 0.00 N ATOM 226 CA LEU A 15 -9.554 -9.333 4.587 1.00 0.00 C ATOM 227 C LEU A 15 -9.167 -10.767 4.698 1.00 0.00 C ATOM 228 O LEU A 15 -7.974 -11.065 4.744 1.00 0.00 O ATOM 229 CB LEU A 15 -9.735 -8.907 3.119 1.00 0.00 C ATOM 230 CG LEU A 15 -11.148 -8.605 2.589 1.00 0.00 C ATOM 231 CD1 LEU A 15 -12.001 -7.708 3.501 1.00 0.00 C ATOM 232 CD2 LEU A 15 -11.036 -7.966 1.194 1.00 0.00 C ATOM 0 H LEU A 15 -8.167 -7.845 4.481 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.499 -9.236 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.128 -8.015 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.313 -9.695 2.495 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.668 -9.562 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.979 -7.551 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.126 -8.189 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.504 -6.747 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.034 -7.749 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.465 -7.040 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.530 -8.655 0.518 1.00 0.00 H new ATOM 244 N PRO A 16 -10.058 -11.712 4.763 1.00 0.00 N ATOM 245 CA PRO A 16 -9.718 -13.067 5.082 1.00 0.00 C ATOM 246 C PRO A 16 -9.040 -13.757 3.948 1.00 0.00 C ATOM 247 O PRO A 16 -8.400 -14.786 4.156 1.00 0.00 O ATOM 248 CB PRO A 16 -11.079 -13.713 5.334 1.00 0.00 C ATOM 249 CG PRO A 16 -12.056 -12.976 4.404 1.00 0.00 C ATOM 250 CD PRO A 16 -11.420 -11.583 4.266 1.00 0.00 C ATOM 0 HA PRO A 16 -9.027 -13.128 5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.055 -14.780 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.376 -13.610 6.378 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.148 -13.475 3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.057 -12.922 4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.427 -11.252 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.976 -10.842 4.840 1.00 0.00 H new ATOM 258 N THR A 17 -9.187 -13.196 2.735 1.00 0.00 N ATOM 259 CA THR A 17 -8.552 -13.615 1.523 1.00 0.00 C ATOM 260 C THR A 17 -7.522 -12.559 1.312 1.00 0.00 C ATOM 261 O THR A 17 -7.710 -11.575 0.598 1.00 0.00 O ATOM 262 CB THR A 17 -9.514 -13.642 0.372 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.760 -14.219 0.736 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.968 -14.449 -0.817 1.00 0.00 C ATOM 0 H THR A 17 -9.795 -12.390 2.591 1.00 0.00 H new ATOM 0 HA THR A 17 -8.148 -14.625 1.586 1.00 0.00 H new ATOM 0 HB THR A 17 -9.650 -12.599 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.444 -13.519 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.697 -14.442 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.036 -14.002 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.783 -15.477 -0.505 1.00 0.00 H new ATOM 272 N LYS A 18 -6.401 -12.671 2.046 1.00 0.00 N ATOM 273 CA LYS A 18 -5.382 -11.668 2.105 1.00 0.00 C ATOM 274 C LYS A 18 -4.728 -11.364 0.801 1.00 0.00 C ATOM 275 O LYS A 18 -4.747 -12.227 -0.075 1.00 0.00 O ATOM 276 CB LYS A 18 -4.345 -12.056 3.171 1.00 0.00 C ATOM 277 CG LYS A 18 -4.936 -12.079 4.581 1.00 0.00 C ATOM 278 CD LYS A 18 -3.937 -12.427 5.687 1.00 0.00 C ATOM 279 CE LYS A 18 -3.816 -13.903 6.069 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.352 -14.735 4.937 1.00 0.00 N ATOM 0 H LYS A 18 -6.196 -13.489 2.619 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.880 -10.739 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.937 -13.039 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.515 -11.350 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.369 -11.102 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.752 -12.801 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.953 -12.074 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.211 -11.866 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.121 -14.005 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.783 -14.268 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.138 -15.695 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.097 -14.782 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.494 -14.314 4.526 1.00 0.00 H new ATOM 294 N PRO A 19 -4.160 -10.223 0.545 1.00 0.00 N ATOM 295 CA PRO A 19 -3.754 -9.839 -0.775 1.00 0.00 C ATOM 296 C PRO A 19 -2.642 -10.661 -1.329 1.00 0.00 C ATOM 297 O PRO A 19 -1.763 -11.079 -0.576 1.00 0.00 O ATOM 298 CB PRO A 19 -3.283 -8.392 -0.641 1.00 0.00 C ATOM 299 CG PRO A 19 -4.104 -7.845 0.538 1.00 0.00 C ATOM 300 CD PRO A 19 -4.177 -9.082 1.448 1.00 0.00 C ATOM 0 HA PRO A 19 -4.588 -9.977 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.213 -8.337 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.468 -7.825 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.613 -7.003 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.091 -7.503 0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.334 -9.113 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.084 -9.072 2.053 1.00 0.00 H new ATOM 308 N SER A 20 -2.624 -10.933 -2.646 1.00 0.00 N ATOM 309 CA SER A 20 -1.662 -11.813 -3.235 1.00 0.00 C ATOM 310 C SER A 20 -0.322 -11.196 -3.440 1.00 0.00 C ATOM 311 O SER A 20 -0.201 -10.015 -3.765 1.00 0.00 O ATOM 312 CB SER A 20 -2.166 -12.384 -4.570 1.00 0.00 C ATOM 313 OG SER A 20 -1.347 -13.434 -5.062 1.00 0.00 O ATOM 0 H SER A 20 -3.287 -10.536 -3.312 1.00 0.00 H new ATOM 0 HA SER A 20 -1.539 -12.617 -2.509 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.184 -12.753 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.208 -11.584 -5.310 1.00 0.00 H new ATOM 0 HG SER A 20 -1.711 -13.763 -5.910 1.00 0.00 H new ATOM 319 N THR A 21 0.747 -11.994 -3.270 1.00 0.00 N ATOM 320 CA THR A 21 2.135 -11.668 -3.165 1.00 0.00 C ATOM 321 C THR A 21 2.665 -10.619 -4.082 1.00 0.00 C ATOM 322 O THR A 21 3.180 -9.595 -3.635 1.00 0.00 O ATOM 323 CB THR A 21 2.999 -12.887 -3.286 1.00 0.00 C ATOM 324 OG1 THR A 21 2.617 -13.862 -2.326 1.00 0.00 O ATOM 325 CG2 THR A 21 4.481 -12.601 -2.991 1.00 0.00 C ATOM 0 H THR A 21 0.614 -13.003 -3.197 1.00 0.00 H new ATOM 0 HA THR A 21 2.186 -11.231 -2.168 1.00 0.00 H new ATOM 0 HB THR A 21 2.871 -13.226 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.188 -14.653 -2.418 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.057 -13.521 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.855 -11.858 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.583 -12.222 -1.974 1.00 0.00 H new ATOM 333 N ASP A 22 2.575 -10.817 -5.409 1.00 0.00 N ATOM 334 CA ASP A 22 3.188 -9.973 -6.387 1.00 0.00 C ATOM 335 C ASP A 22 2.316 -8.830 -6.775 1.00 0.00 C ATOM 336 O ASP A 22 2.753 -7.844 -7.366 1.00 0.00 O ATOM 337 CB ASP A 22 3.553 -10.883 -7.573 1.00 0.00 C ATOM 338 CG ASP A 22 4.631 -10.321 -8.488 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.672 -9.827 -7.977 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.484 -10.432 -9.735 1.00 0.00 O ATOM 0 H ASP A 22 2.056 -11.595 -5.816 1.00 0.00 H new ATOM 0 HA ASP A 22 4.083 -9.496 -5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.887 -11.846 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.655 -11.070 -8.162 1.00 0.00 H new ATOM 345 N GLU A 23 1.026 -8.892 -6.399 1.00 0.00 N ATOM 346 CA GLU A 23 0.064 -7.851 -6.589 1.00 0.00 C ATOM 347 C GLU A 23 0.189 -6.836 -5.505 1.00 0.00 C ATOM 348 O GLU A 23 0.320 -5.642 -5.769 1.00 0.00 O ATOM 349 CB GLU A 23 -1.360 -8.430 -6.605 1.00 0.00 C ATOM 350 CG GLU A 23 -1.628 -9.422 -7.740 1.00 0.00 C ATOM 351 CD GLU A 23 -3.068 -9.914 -7.710 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.981 -9.065 -7.532 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.313 -11.140 -7.868 1.00 0.00 O ATOM 0 H GLU A 23 0.634 -9.713 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 23 0.256 -7.372 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.548 -8.927 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.072 -7.608 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.423 -8.946 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.949 -10.270 -7.654 1.00 0.00 H new ATOM 360 N LEU A 24 0.207 -7.280 -4.235 1.00 0.00 N ATOM 361 CA LEU A 24 0.367 -6.542 -3.021 1.00 0.00 C ATOM 362 C LEU A 24 1.408 -5.477 -3.052 1.00 0.00 C ATOM 363 O LEU A 24 1.198 -4.368 -2.564 1.00 0.00 O ATOM 364 CB LEU A 24 0.673 -7.574 -1.922 1.00 0.00 C ATOM 365 CG LEU A 24 0.783 -7.086 -0.467 1.00 0.00 C ATOM 366 CD1 LEU A 24 2.199 -6.607 -0.105 1.00 0.00 C ATOM 367 CD2 LEU A 24 -0.309 -6.058 -0.125 1.00 0.00 C ATOM 0 H LEU A 24 0.096 -8.275 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.554 -5.989 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.105 -8.337 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.612 -8.064 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 24 0.601 -7.951 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.216 -6.275 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.905 -7.427 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.481 -5.779 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.196 -5.739 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.215 -5.194 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.291 -6.512 -0.260 1.00 0.00 H new ATOM 379 N LEU A 25 2.573 -5.738 -3.672 1.00 0.00 N ATOM 380 CA LEU A 25 3.650 -4.809 -3.818 1.00 0.00 C ATOM 381 C LEU A 25 3.302 -3.546 -4.527 1.00 0.00 C ATOM 382 O LEU A 25 3.598 -2.441 -4.073 1.00 0.00 O ATOM 383 CB LEU A 25 4.747 -5.531 -4.616 1.00 0.00 C ATOM 384 CG LEU A 25 5.352 -6.738 -3.880 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.162 -7.604 -4.859 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.208 -6.307 -2.677 1.00 0.00 C ATOM 0 H LEU A 25 2.773 -6.645 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 25 3.956 -4.505 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.332 -5.867 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.542 -4.822 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 25 4.531 -7.335 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.586 -8.456 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.508 -7.962 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.967 -7.009 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.616 -7.190 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.025 -5.673 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.590 -5.752 -1.971 1.00 0.00 H new ATOM 398 N GLU A 26 2.632 -3.654 -5.688 1.00 0.00 N ATOM 399 CA GLU A 26 2.045 -2.572 -6.415 1.00 0.00 C ATOM 400 C GLU A 26 1.029 -1.795 -5.651 1.00 0.00 C ATOM 401 O GLU A 26 1.036 -0.566 -5.646 1.00 0.00 O ATOM 402 CB GLU A 26 1.423 -3.098 -7.719 1.00 0.00 C ATOM 403 CG GLU A 26 2.401 -3.956 -8.525 1.00 0.00 C ATOM 404 CD GLU A 26 1.879 -4.371 -9.893 1.00 0.00 C ATOM 405 OE1 GLU A 26 0.736 -4.014 -10.288 1.00 0.00 O ATOM 406 OE2 GLU A 26 2.643 -5.077 -10.602 1.00 0.00 O ATOM 0 H GLU A 26 2.492 -4.554 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 26 2.858 -1.877 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.536 -3.686 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.095 -2.256 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.331 -3.403 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.640 -4.852 -7.952 1.00 0.00 H new ATOM 413 N LEU A 27 0.136 -2.485 -4.918 1.00 0.00 N ATOM 414 CA LEU A 27 -0.871 -1.937 -4.063 1.00 0.00 C ATOM 415 C LEU A 27 -0.276 -1.185 -2.922 1.00 0.00 C ATOM 416 O LEU A 27 -0.747 -0.103 -2.576 1.00 0.00 O ATOM 417 CB LEU A 27 -1.809 -3.026 -3.513 1.00 0.00 C ATOM 418 CG LEU A 27 -2.987 -3.435 -4.412 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.018 -2.299 -4.523 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.569 -3.930 -5.806 1.00 0.00 C ATOM 0 H LEU A 27 0.118 -3.505 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.450 -1.249 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.214 -3.915 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.211 -2.681 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.448 -4.290 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.840 -2.615 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.403 -2.059 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.542 -1.417 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.457 -4.199 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.028 -3.139 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.925 -4.803 -5.704 1.00 0.00 H new ATOM 432 N TYR A 28 0.810 -1.711 -2.331 1.00 0.00 N ATOM 433 CA TYR A 28 1.654 -1.118 -1.341 1.00 0.00 C ATOM 434 C TYR A 28 2.097 0.254 -1.718 1.00 0.00 C ATOM 435 O TYR A 28 1.944 1.157 -0.897 1.00 0.00 O ATOM 436 CB TYR A 28 2.783 -2.084 -0.943 1.00 0.00 C ATOM 437 CG TYR A 28 3.907 -1.531 -0.136 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.821 -0.676 -0.705 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.073 -1.898 1.178 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.835 -0.116 0.037 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.137 -1.419 1.906 1.00 0.00 C ATOM 442 CZ TYR A 28 6.011 -0.522 1.339 1.00 0.00 C ATOM 443 OH TYR A 28 7.083 -0.020 2.106 1.00 0.00 O ATOM 0 H TYR A 28 1.128 -2.649 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 28 1.072 -0.957 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.340 -2.907 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.201 -2.508 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.741 -0.439 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.363 -2.567 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.483 0.631 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.286 -1.748 2.924 1.00 0.00 H new ATOM 0 HH TYR A 28 7.108 0.957 2.033 1.00 0.00 H new ATOM 453 N ALA A 29 2.614 0.523 -2.930 1.00 0.00 N ATOM 454 CA ALA A 29 2.960 1.850 -3.335 1.00 0.00 C ATOM 455 C ALA A 29 1.876 2.858 -3.169 1.00 0.00 C ATOM 456 O ALA A 29 2.082 3.940 -2.622 1.00 0.00 O ATOM 457 CB ALA A 29 3.433 1.885 -4.798 1.00 0.00 C ATOM 0 H ALA A 29 2.794 -0.189 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 29 3.767 2.128 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.688 2.908 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.311 1.249 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.636 1.523 -5.447 1.00 0.00 H new ATOM 463 N LEU A 30 0.641 2.519 -3.583 1.00 0.00 N ATOM 464 CA LEU A 30 -0.475 3.396 -3.402 1.00 0.00 C ATOM 465 C LEU A 30 -0.928 3.512 -1.987 1.00 0.00 C ATOM 466 O LEU A 30 -1.112 4.614 -1.471 1.00 0.00 O ATOM 467 CB LEU A 30 -1.693 2.900 -4.199 1.00 0.00 C ATOM 468 CG LEU A 30 -1.590 3.158 -5.712 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.037 1.960 -6.502 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.008 3.500 -6.201 1.00 0.00 C ATOM 0 H LEU A 30 0.415 1.637 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.117 4.366 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.816 1.830 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.589 3.388 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.884 3.971 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.992 2.212 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.036 1.718 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.690 1.099 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.986 3.692 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.675 2.663 -5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.368 4.387 -5.681 1.00 0.00 H new ATOM 482 N TYR A 31 -1.120 2.361 -1.318 1.00 0.00 N ATOM 483 CA TYR A 31 -1.526 2.207 0.044 1.00 0.00 C ATOM 484 C TYR A 31 -0.652 2.994 0.959 1.00 0.00 C ATOM 485 O TYR A 31 -1.108 3.807 1.762 1.00 0.00 O ATOM 486 CB TYR A 31 -1.560 0.727 0.465 1.00 0.00 C ATOM 487 CG TYR A 31 -1.886 0.593 1.912 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.970 1.236 2.461 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.969 -0.005 2.743 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.192 1.206 3.818 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.143 0.028 4.107 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.253 0.634 4.644 1.00 0.00 C ATOM 493 OH TYR A 31 -2.396 0.733 6.044 1.00 0.00 O ATOM 0 H TYR A 31 -0.978 1.459 -1.773 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.541 2.597 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.301 0.193 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.594 0.265 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.655 1.771 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.108 -0.503 2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.096 1.628 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.407 -0.423 4.756 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.649 0.275 6.482 1.00 0.00 H new ATOM 503 N LYS A 32 0.675 2.802 0.861 1.00 0.00 N ATOM 504 CA LYS A 32 1.653 3.579 1.557 1.00 0.00 C ATOM 505 C LYS A 32 1.606 5.015 1.157 1.00 0.00 C ATOM 506 O LYS A 32 1.706 5.867 2.038 1.00 0.00 O ATOM 507 CB LYS A 32 3.058 2.961 1.456 1.00 0.00 C ATOM 508 CG LYS A 32 3.163 1.550 2.036 1.00 0.00 C ATOM 509 CD LYS A 32 2.689 1.370 3.480 1.00 0.00 C ATOM 510 CE LYS A 32 3.327 2.356 4.461 1.00 0.00 C ATOM 511 NZ LYS A 32 3.054 1.915 5.847 1.00 0.00 N ATOM 0 H LYS A 32 1.084 2.076 0.273 1.00 0.00 H new ATOM 0 HA LYS A 32 1.397 3.556 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.357 2.935 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.766 3.608 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.588 0.876 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.204 1.233 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.606 1.485 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.912 0.353 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.402 2.412 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.926 3.357 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.487 2.584 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.027 1.883 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.457 0.968 5.996 1.00 0.00 H new ATOM 525 N GLN A 33 1.365 5.370 -0.118 1.00 0.00 N ATOM 526 CA GLN A 33 1.310 6.752 -0.480 1.00 0.00 C ATOM 527 C GLN A 33 0.294 7.570 0.240 1.00 0.00 C ATOM 528 O GLN A 33 0.652 8.549 0.894 1.00 0.00 O ATOM 529 CB GLN A 33 1.176 7.045 -1.984 1.00 0.00 C ATOM 530 CG GLN A 33 2.381 7.802 -2.547 1.00 0.00 C ATOM 531 CD GLN A 33 2.614 9.165 -1.909 1.00 0.00 C ATOM 532 OE1 GLN A 33 1.883 10.126 -2.140 1.00 0.00 O ATOM 533 NE2 GLN A 33 3.681 9.281 -1.075 1.00 0.00 N ATOM 0 H GLN A 33 1.211 4.715 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 33 2.303 7.061 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.057 6.106 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.272 7.629 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.274 7.192 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.244 7.934 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.277 8.473 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.885 10.176 -0.630 1.00 0.00 H new ATOM 542 N ALA A 34 -1.001 7.212 0.193 1.00 0.00 N ATOM 543 CA ALA A 34 -1.983 8.023 0.845 1.00 0.00 C ATOM 544 C ALA A 34 -2.228 7.636 2.263 1.00 0.00 C ATOM 545 O ALA A 34 -2.884 8.377 2.995 1.00 0.00 O ATOM 546 CB ALA A 34 -3.268 8.225 0.024 1.00 0.00 C ATOM 0 H ALA A 34 -1.362 6.385 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.536 9.015 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.963 8.850 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.024 8.711 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.729 7.257 -0.174 1.00 0.00 H new ATOM 552 N THR A 35 -1.660 6.526 2.766 1.00 0.00 N ATOM 553 CA THR A 35 -1.628 6.284 4.175 1.00 0.00 C ATOM 554 C THR A 35 -0.744 7.239 4.901 1.00 0.00 C ATOM 555 O THR A 35 -1.208 7.952 5.791 1.00 0.00 O ATOM 556 CB THR A 35 -1.237 4.886 4.558 1.00 0.00 C ATOM 557 OG1 THR A 35 -2.283 4.007 4.171 1.00 0.00 O ATOM 558 CG2 THR A 35 -1.114 4.720 6.081 1.00 0.00 C ATOM 0 H THR A 35 -1.224 5.798 2.200 1.00 0.00 H new ATOM 0 HA THR A 35 -2.664 6.435 4.478 1.00 0.00 H new ATOM 0 HB THR A 35 -0.283 4.674 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.134 3.706 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.830 3.694 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.354 5.402 6.461 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.072 4.946 6.550 1.00 0.00 H new ATOM 566 N VAL A 36 0.565 7.272 4.596 1.00 0.00 N ATOM 567 CA VAL A 36 1.491 8.139 5.256 1.00 0.00 C ATOM 568 C VAL A 36 1.593 9.491 4.641 1.00 0.00 C ATOM 569 O VAL A 36 1.637 10.498 5.347 1.00 0.00 O ATOM 570 CB VAL A 36 2.842 7.536 5.507 1.00 0.00 C ATOM 571 CG1 VAL A 36 2.769 6.655 6.765 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.328 6.682 4.323 1.00 0.00 C ATOM 0 H VAL A 36 0.989 6.685 3.877 1.00 0.00 H new ATOM 0 HA VAL A 36 1.044 8.278 6.240 1.00 0.00 H new ATOM 0 HB VAL A 36 3.552 8.352 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.746 6.212 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.473 7.264 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.035 5.863 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.310 6.267 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.623 5.870 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.396 7.303 3.430 1.00 0.00 H new ATOM 582 N GLY A 37 1.639 9.590 3.301 1.00 0.00 N ATOM 583 CA GLY A 37 1.720 10.819 2.574 1.00 0.00 C ATOM 584 C GLY A 37 3.094 11.159 2.107 1.00 0.00 C ATOM 585 O GLY A 37 3.280 11.909 1.151 1.00 0.00 O ATOM 0 H GLY A 37 1.619 8.771 2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.058 10.762 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.352 11.628 3.206 1.00 0.00 H new ATOM 589 N ASP A 38 4.111 10.595 2.782 1.00 0.00 N ATOM 590 CA ASP A 38 5.499 10.769 2.484 1.00 0.00 C ATOM 591 C ASP A 38 6.035 9.388 2.329 1.00 0.00 C ATOM 592 O ASP A 38 5.451 8.449 2.868 1.00 0.00 O ATOM 593 CB ASP A 38 6.235 11.428 3.662 1.00 0.00 C ATOM 594 CG ASP A 38 5.822 12.886 3.810 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.332 13.725 3.021 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.030 13.223 4.729 1.00 0.00 O ATOM 0 H ASP A 38 3.955 9.982 3.582 1.00 0.00 H new ATOM 0 HA ASP A 38 5.632 11.397 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.014 10.888 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.312 11.364 3.505 1.00 0.00 H new ATOM 601 N ASN A 39 7.185 9.172 1.664 1.00 0.00 N ATOM 602 CA ASN A 39 7.995 8.035 1.980 1.00 0.00 C ATOM 603 C ASN A 39 8.384 7.963 3.416 1.00 0.00 C ATOM 604 O ASN A 39 9.174 8.760 3.919 1.00 0.00 O ATOM 605 CB ASN A 39 9.183 7.874 1.017 1.00 0.00 C ATOM 606 CG ASN A 39 10.288 8.908 1.182 1.00 0.00 C ATOM 607 OD1 ASN A 39 10.181 10.053 0.744 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.411 8.497 1.829 1.00 0.00 N ATOM 0 H ASN A 39 7.549 9.771 0.923 1.00 0.00 H new ATOM 0 HA ASN A 39 7.360 7.164 1.821 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.611 6.881 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.811 7.922 -0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.189 9.143 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.475 7.543 2.183 1.00 0.00 H new ATOM 615 N ASP A 40 7.797 7.024 4.181 1.00 0.00 N ATOM 616 CA ASP A 40 7.969 6.923 5.596 1.00 0.00 C ATOM 617 C ASP A 40 9.275 6.289 5.936 1.00 0.00 C ATOM 618 O ASP A 40 10.146 6.904 6.551 1.00 0.00 O ATOM 619 CB ASP A 40 6.773 6.182 6.214 1.00 0.00 C ATOM 620 CG ASP A 40 6.831 6.174 7.735 1.00 0.00 C ATOM 621 OD1 ASP A 40 6.819 7.270 8.355 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.919 5.068 8.333 1.00 0.00 O ATOM 0 H ASP A 40 7.179 6.308 3.798 1.00 0.00 H new ATOM 0 HA ASP A 40 7.996 7.924 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.846 6.655 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.753 5.156 5.847 1.00 0.00 H new ATOM 627 N LYS A 41 9.466 5.025 5.521 1.00 0.00 N ATOM 628 CA LYS A 41 10.717 4.334 5.569 1.00 0.00 C ATOM 629 C LYS A 41 11.548 4.752 4.404 1.00 0.00 C ATOM 630 O LYS A 41 11.086 5.406 3.471 1.00 0.00 O ATOM 631 CB LYS A 41 10.506 2.811 5.504 1.00 0.00 C ATOM 632 CG LYS A 41 9.677 2.248 6.660 1.00 0.00 C ATOM 633 CD LYS A 41 10.374 2.313 8.020 1.00 0.00 C ATOM 634 CE LYS A 41 9.914 3.474 8.902 1.00 0.00 C ATOM 635 NZ LYS A 41 8.541 3.231 9.401 1.00 0.00 N ATOM 0 H LYS A 41 8.712 4.457 5.133 1.00 0.00 H new ATOM 0 HA LYS A 41 11.214 4.581 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.015 2.562 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.479 2.320 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.737 2.797 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.427 1.210 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.200 1.377 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.449 2.395 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.597 3.593 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.942 4.404 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.503 3.425 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.875 3.857 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.279 2.240 9.227 1.00 0.00 H new ATOM 649 N GLU A 42 12.837 4.374 4.451 1.00 0.00 N ATOM 650 CA GLU A 42 13.755 4.521 3.364 1.00 0.00 C ATOM 651 C GLU A 42 14.679 3.355 3.438 1.00 0.00 C ATOM 652 O GLU A 42 15.852 3.384 3.071 1.00 0.00 O ATOM 653 CB GLU A 42 14.457 5.880 3.519 1.00 0.00 C ATOM 654 CG GLU A 42 15.247 6.331 2.287 1.00 0.00 C ATOM 655 CD GLU A 42 16.223 7.445 2.639 1.00 0.00 C ATOM 656 OE1 GLU A 42 17.184 7.201 3.415 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.075 8.577 2.106 1.00 0.00 O ATOM 0 H GLU A 42 13.257 3.949 5.278 1.00 0.00 H new ATOM 0 HA GLU A 42 13.285 4.523 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.708 6.637 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.135 5.829 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.792 5.484 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.558 6.677 1.516 1.00 0.00 H new ATOM 664 N LYS A 43 14.152 2.240 3.975 1.00 0.00 N ATOM 665 CA LYS A 43 14.920 1.097 4.361 1.00 0.00 C ATOM 666 C LYS A 43 14.186 -0.165 4.066 1.00 0.00 C ATOM 667 O LYS A 43 13.597 -0.776 4.957 1.00 0.00 O ATOM 668 CB LYS A 43 15.328 1.205 5.841 1.00 0.00 C ATOM 669 CG LYS A 43 14.227 1.647 6.806 1.00 0.00 C ATOM 670 CD LYS A 43 14.743 1.908 8.222 1.00 0.00 C ATOM 671 CE LYS A 43 15.174 0.658 8.993 1.00 0.00 C ATOM 672 NZ LYS A 43 15.780 1.086 10.273 1.00 0.00 N ATOM 0 H LYS A 43 13.153 2.130 4.147 1.00 0.00 H new ATOM 0 HA LYS A 43 15.835 1.071 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.702 0.234 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 43 16.157 1.908 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.758 2.554 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.454 0.880 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.590 2.591 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.963 2.416 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.316 0.011 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.890 0.080 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.080 0.249 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.606 1.689 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.081 1.622 10.826 1.00 0.00 H new ATOM 878 N TRP A 55 9.659 -0.701 -2.974 1.00 0.00 N ATOM 879 CA TRP A 55 9.861 0.511 -2.243 1.00 0.00 C ATOM 880 C TRP A 55 10.272 1.618 -3.151 1.00 0.00 C ATOM 881 O TRP A 55 9.817 2.751 -3.003 1.00 0.00 O ATOM 882 CB TRP A 55 10.857 0.335 -1.084 1.00 0.00 C ATOM 883 CG TRP A 55 10.907 1.494 -0.118 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.118 1.753 0.965 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.676 2.690 -0.349 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.223 3.071 1.324 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.179 3.660 0.530 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.660 2.991 -1.250 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.653 4.943 0.473 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.128 4.284 -1.290 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.633 5.246 -0.441 1.00 0.00 C ATOM 0 HA TRP A 55 8.905 0.779 -1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.598 -0.569 -0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.853 0.181 -1.498 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.500 1.024 1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.684 3.536 2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 55 13.058 2.235 -1.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.264 5.703 1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.897 4.548 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 55 13.020 6.253 -0.493 1.00 0.00 H new ATOM 902 N GLU A 56 11.084 1.362 -4.192 1.00 0.00 N ATOM 903 CA GLU A 56 11.448 2.344 -5.166 1.00 0.00 C ATOM 904 C GLU A 56 10.309 2.725 -6.046 1.00 0.00 C ATOM 905 O GLU A 56 10.221 3.855 -6.526 1.00 0.00 O ATOM 906 CB GLU A 56 12.677 1.933 -5.994 1.00 0.00 C ATOM 907 CG GLU A 56 13.970 1.982 -5.176 1.00 0.00 C ATOM 908 CD GLU A 56 15.232 1.617 -5.944 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.228 1.566 -7.202 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.270 1.399 -5.263 1.00 0.00 O ATOM 0 H GLU A 56 11.499 0.446 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 56 11.728 3.230 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.532 0.924 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.769 2.594 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.088 2.987 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.871 1.305 -4.327 1.00 0.00 H new ATOM 917 N ALA A 57 9.330 1.821 -6.229 1.00 0.00 N ATOM 918 CA ALA A 57 8.076 2.102 -6.857 1.00 0.00 C ATOM 919 C ALA A 57 7.201 2.996 -6.048 1.00 0.00 C ATOM 920 O ALA A 57 6.375 3.723 -6.598 1.00 0.00 O ATOM 921 CB ALA A 57 7.335 0.797 -7.199 1.00 0.00 C ATOM 0 H ALA A 57 9.416 0.851 -5.926 1.00 0.00 H new ATOM 0 HA ALA A 57 8.308 2.639 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.384 1.033 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.943 0.200 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.152 0.232 -6.285 1.00 0.00 H new ATOM 927 N TRP A 58 7.385 3.019 -4.716 1.00 0.00 N ATOM 928 CA TRP A 58 6.722 3.898 -3.806 1.00 0.00 C ATOM 929 C TRP A 58 7.395 5.227 -3.788 1.00 0.00 C ATOM 930 O TRP A 58 6.748 6.268 -3.889 1.00 0.00 O ATOM 931 CB TRP A 58 6.631 3.295 -2.393 1.00 0.00 C ATOM 932 CG TRP A 58 5.932 4.131 -1.348 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.939 5.056 -1.482 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.233 4.072 0.059 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.695 5.684 -0.289 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.488 5.090 0.665 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.033 3.236 0.790 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.567 5.283 2.017 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.010 3.373 2.157 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.293 4.382 2.758 1.00 0.00 C ATOM 0 H TRP A 58 8.035 2.387 -4.248 1.00 0.00 H new ATOM 0 HA TRP A 58 5.699 4.035 -4.156 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.117 2.337 -2.463 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.643 3.089 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.416 5.265 -2.403 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.043 6.453 -0.136 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.658 2.497 0.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.073 6.120 2.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.564 2.677 2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.301 4.468 3.835 1.00 0.00 H new ATOM 951 N GLU A 59 8.736 5.258 -3.692 1.00 0.00 N ATOM 952 CA GLU A 59 9.615 6.384 -3.757 1.00 0.00 C ATOM 953 C GLU A 59 9.458 7.239 -4.967 1.00 0.00 C ATOM 954 O GLU A 59 9.621 8.458 -4.929 1.00 0.00 O ATOM 955 CB GLU A 59 11.062 5.864 -3.702 1.00 0.00 C ATOM 956 CG GLU A 59 12.215 6.854 -3.882 1.00 0.00 C ATOM 957 CD GLU A 59 12.295 7.996 -2.879 1.00 0.00 C ATOM 958 OE1 GLU A 59 11.431 8.149 -1.976 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.254 8.803 -3.014 1.00 0.00 O ATOM 0 H GLU A 59 9.260 4.394 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 59 9.360 7.022 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.198 5.372 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.165 5.096 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.151 6.298 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.143 7.283 -4.882 1.00 0.00 H new ATOM 966 N ASN A 60 9.052 6.658 -6.110 1.00 0.00 N ATOM 967 CA ASN A 60 8.614 7.350 -7.282 1.00 0.00 C ATOM 968 C ASN A 60 7.553 8.361 -7.012 1.00 0.00 C ATOM 969 O ASN A 60 7.480 9.405 -7.659 1.00 0.00 O ATOM 970 CB ASN A 60 8.124 6.299 -8.293 1.00 0.00 C ATOM 971 CG ASN A 60 7.820 6.870 -9.670 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.689 7.402 -10.359 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.541 6.744 -10.115 1.00 0.00 N ATOM 0 H ASN A 60 9.028 5.644 -6.222 1.00 0.00 H new ATOM 0 HA ASN A 60 9.455 7.917 -7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.881 5.521 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.226 5.822 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.285 7.094 -11.038 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.837 6.299 -9.526 1.00 0.00 H new ATOM 980 N LEU A 61 6.697 8.103 -6.008 1.00 0.00 N ATOM 981 CA LEU A 61 5.546 8.886 -5.680 1.00 0.00 C ATOM 982 C LEU A 61 5.707 9.731 -4.465 1.00 0.00 C ATOM 983 O LEU A 61 4.778 10.457 -4.107 1.00 0.00 O ATOM 984 CB LEU A 61 4.362 7.939 -5.421 1.00 0.00 C ATOM 985 CG LEU A 61 4.091 6.877 -6.501 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.922 6.028 -5.975 1.00 0.00 C ATOM 987 CD2 LEU A 61 3.748 7.482 -7.873 1.00 0.00 C ATOM 0 H LEU A 61 6.815 7.301 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 61 5.386 9.554 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.533 7.428 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.462 8.542 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 61 4.990 6.285 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.680 5.252 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.205 5.565 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.051 6.664 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.568 6.680 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.853 8.098 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.579 8.097 -8.218 1.00 0.00 H new ATOM 999 N LYS A 62 6.866 9.651 -3.789 1.00 0.00 N ATOM 1000 CA LYS A 62 7.219 10.032 -2.456 1.00 0.00 C ATOM 1001 C LYS A 62 6.589 11.148 -1.696 1.00 0.00 C ATOM 1002 O LYS A 62 6.614 11.095 -0.468 1.00 0.00 O ATOM 1003 CB LYS A 62 8.739 10.249 -2.365 1.00 0.00 C ATOM 1004 CG LYS A 62 9.248 11.441 -3.176 1.00 0.00 C ATOM 1005 CD LYS A 62 10.746 11.353 -3.476 1.00 0.00 C ATOM 1006 CE LYS A 62 11.698 11.757 -2.349 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.870 10.693 -1.334 1.00 0.00 N ATOM 0 H LYS A 62 7.681 9.255 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 62 6.779 9.170 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.013 10.391 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.245 9.347 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.696 11.499 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.044 12.361 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.976 10.327 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.957 11.981 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.670 12.008 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.319 12.657 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.353 10.951 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.498 9.796 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.880 10.584 -1.114 1.00 0.00 H new ATOM 1021 N GLY A 63 6.029 12.202 -2.315 1.00 0.00 N ATOM 1022 CA GLY A 63 5.264 13.154 -1.570 1.00 0.00 C ATOM 1023 C GLY A 63 4.366 13.933 -2.468 1.00 0.00 C ATOM 1024 O GLY A 63 4.100 15.109 -2.221 1.00 0.00 O ATOM 0 H GLY A 63 6.103 12.394 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.671 12.639 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.934 13.832 -1.042 1.00 0.00 H new ATOM 1028 N LYS A 64 3.897 13.300 -3.558 1.00 0.00 N ATOM 1029 CA LYS A 64 3.089 13.962 -4.534 1.00 0.00 C ATOM 1030 C LYS A 64 1.738 13.337 -4.602 1.00 0.00 C ATOM 1031 O LYS A 64 0.692 13.984 -4.545 1.00 0.00 O ATOM 1032 CB LYS A 64 3.772 13.856 -5.908 1.00 0.00 C ATOM 1033 CG LYS A 64 3.187 14.772 -6.985 1.00 0.00 C ATOM 1034 CD LYS A 64 4.024 14.717 -8.265 1.00 0.00 C ATOM 1035 CE LYS A 64 3.461 15.510 -9.447 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.163 14.937 -9.870 1.00 0.00 N ATOM 0 H LYS A 64 4.080 12.318 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 64 2.976 15.009 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.831 14.086 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.706 12.824 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.162 14.474 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.149 15.796 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.024 15.089 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.131 13.675 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.332 16.555 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.166 15.488 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.862 15.380 -10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.265 13.912 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.449 15.117 -9.136 1.00 0.00 H new ATOM 1050 N SER A 65 1.722 12.001 -4.753 1.00 0.00 N ATOM 1051 CA SER A 65 0.583 11.263 -5.201 1.00 0.00 C ATOM 1052 C SER A 65 -0.370 10.873 -4.124 1.00 0.00 C ATOM 1053 O SER A 65 -1.078 9.876 -4.252 1.00 0.00 O ATOM 1054 CB SER A 65 1.016 10.015 -5.989 1.00 0.00 C ATOM 1055 OG SER A 65 1.604 10.391 -7.225 1.00 0.00 O ATOM 0 H SER A 65 2.532 11.413 -4.556 1.00 0.00 H new ATOM 0 HA SER A 65 0.040 11.951 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.728 9.435 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.154 9.373 -6.169 1.00 0.00 H new ATOM 0 HG SER A 65 0.899 10.569 -7.882 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.572 11.719 -3.099 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.791 11.822 -2.358 1.00 0.00 C ATOM 1063 C GLN A 66 -2.922 12.343 -3.177 1.00 0.00 C ATOM 1064 O GLN A 66 -4.075 12.338 -2.750 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.578 12.704 -1.116 1.00 0.00 C ATOM 1066 CG GLN A 66 -0.835 11.890 -0.055 1.00 0.00 C ATOM 1067 CD GLN A 66 -0.878 12.552 1.315 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -0.363 13.643 1.556 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.513 11.837 2.282 1.00 0.00 N ATOM 0 H GLN A 66 0.149 12.362 -2.771 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.066 10.813 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.006 13.594 -1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.537 13.046 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.275 10.895 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.203 11.760 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.932 10.935 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.570 12.203 3.232 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.588 12.829 -4.386 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.447 13.235 -5.455 1.00 0.00 C ATOM 1080 C GLU A 67 -3.818 12.105 -6.352 1.00 0.00 C ATOM 1081 O GLU A 67 -4.928 12.074 -6.881 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.708 14.332 -6.242 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.428 15.591 -5.422 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.705 16.694 -6.182 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -1.525 16.590 -7.425 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.304 17.706 -5.549 1.00 0.00 O ATOM 0 H GLU A 67 -1.607 12.949 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.385 13.607 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.764 13.930 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.301 14.602 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.374 15.984 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.832 15.317 -4.551 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.921 11.134 -6.597 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.189 9.968 -7.382 1.00 0.00 C ATOM 1095 C ASP A 68 -3.622 8.774 -6.604 1.00 0.00 C ATOM 1096 O ASP A 68 -4.664 8.202 -6.926 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.989 9.538 -8.242 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.529 10.646 -9.179 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.368 11.231 -9.913 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -0.293 10.891 -9.213 1.00 0.00 O ATOM 0 H ASP A 68 -1.969 11.162 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.019 10.295 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.164 9.248 -7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.259 8.659 -8.827 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.852 8.349 -5.586 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.034 7.169 -4.801 1.00 0.00 C ATOM 1107 C ALA A 69 -4.448 6.930 -4.394 1.00 0.00 C ATOM 1108 O ALA A 69 -5.025 5.892 -4.712 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.139 7.188 -3.550 1.00 0.00 C ATOM 0 H ALA A 69 -2.032 8.878 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.743 6.346 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.300 6.277 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.093 7.246 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.389 8.054 -2.937 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.092 7.945 -3.790 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.495 7.973 -3.513 1.00 0.00 C ATOM 1117 C GLU A 70 -7.440 7.466 -4.547 1.00 0.00 C ATOM 1118 O GLU A 70 -8.330 6.670 -4.251 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.892 9.413 -3.145 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.467 10.482 -4.153 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.563 11.518 -4.365 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.613 11.158 -4.960 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.435 12.680 -3.895 1.00 0.00 O ATOM 0 H GLU A 70 -4.610 8.788 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.606 7.253 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.975 9.456 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.457 9.657 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.561 10.976 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.223 10.010 -5.104 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.297 7.900 -5.812 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.176 7.716 -6.925 1.00 0.00 C ATOM 1132 C LYS A 71 -7.884 6.466 -7.681 1.00 0.00 C ATOM 1133 O LYS A 71 -8.783 5.772 -8.153 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.104 9.010 -7.755 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.398 8.976 -9.256 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.164 8.623 -10.089 1.00 0.00 C ATOM 1137 CE LYS A 71 -7.148 9.142 -11.528 1.00 0.00 C ATOM 1138 NZ LYS A 71 -6.950 10.608 -11.566 1.00 0.00 N ATOM 0 H LYS A 71 -6.474 8.439 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.205 7.559 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.796 9.722 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.101 9.419 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.185 8.248 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.778 9.948 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.283 9.009 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.068 7.538 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.351 8.650 -12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.086 8.886 -12.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.876 10.923 -12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.759 11.079 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.076 10.854 -11.058 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.596 6.109 -7.826 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.219 4.910 -8.510 1.00 0.00 C ATOM 1154 C GLU A 72 -6.424 3.696 -7.670 1.00 0.00 C ATOM 1155 O GLU A 72 -6.700 2.623 -8.204 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.777 4.988 -9.041 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.619 6.031 -10.150 1.00 0.00 C ATOM 1158 CD GLU A 72 -3.453 5.716 -11.075 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -2.269 5.745 -10.644 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.722 5.413 -12.268 1.00 0.00 O ATOM 0 H GLU A 72 -5.811 6.653 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.882 4.818 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.103 5.230 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.479 4.010 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.539 6.081 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.470 7.014 -9.703 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.345 3.825 -6.334 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.469 2.739 -5.412 1.00 0.00 C ATOM 1169 C TYR A 73 -7.799 2.069 -5.453 1.00 0.00 C ATOM 1170 O TYR A 73 -7.862 0.848 -5.586 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.222 3.219 -3.972 1.00 0.00 C ATOM 1172 CG TYR A 73 -5.979 2.106 -3.010 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.797 1.409 -3.072 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.900 1.809 -2.034 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.496 0.449 -2.134 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.610 0.831 -1.112 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.409 0.163 -1.146 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.133 -0.844 -0.199 1.00 0.00 O ATOM 0 H TYR A 73 -6.188 4.723 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.716 2.014 -5.720 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.364 3.891 -3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.083 3.797 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.096 1.617 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.841 2.338 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.552 -0.075 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.335 0.584 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.669 -0.452 0.570 1.00 0.00 H new ATOM 1188 N ILE A 74 -8.910 2.823 -5.382 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.210 2.232 -5.469 1.00 0.00 C ATOM 1190 C ILE A 74 -10.462 1.350 -6.643 1.00 0.00 C ATOM 1191 O ILE A 74 -10.999 0.253 -6.505 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.297 3.254 -5.306 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.664 2.574 -5.121 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.300 4.291 -6.441 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.813 3.513 -4.755 1.00 0.00 C ATOM 0 H ILE A 74 -8.910 3.836 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.231 1.545 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.088 3.816 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.921 2.054 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.573 1.817 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.105 5.008 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.345 4.815 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.453 3.786 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.733 2.938 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.587 4.016 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.940 4.256 -5.542 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.021 1.736 -7.854 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.235 0.947 -9.027 1.00 0.00 C ATOM 1209 C ALA A 75 -9.399 -0.282 -9.125 1.00 0.00 C ATOM 1210 O ALA A 75 -9.730 -1.216 -9.855 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.047 1.841 -10.265 1.00 0.00 C ATOM 0 H ALA A 75 -9.511 2.604 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.256 0.570 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.207 1.251 -11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.765 2.660 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.035 2.246 -10.271 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.306 -0.379 -8.347 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.584 -1.598 -8.155 1.00 0.00 C ATOM 1219 C LEU A 76 -8.298 -2.473 -7.184 1.00 0.00 C ATOM 1220 O LEU A 76 -8.618 -3.631 -7.447 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.187 -1.359 -7.557 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.241 -0.477 -8.389 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.035 -0.111 -7.506 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.794 -1.159 -9.693 1.00 0.00 C ATOM 0 H LEU A 76 -7.914 0.413 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.501 -2.055 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.307 -0.903 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.709 -2.326 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.772 0.424 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.346 0.516 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.380 0.432 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.524 -1.021 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.128 -0.493 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.269 -2.085 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.668 -1.383 -10.305 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.594 -1.919 -5.994 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.081 -2.589 -4.827 1.00 0.00 C ATOM 1238 C VAL A 77 -10.470 -3.093 -5.010 1.00 0.00 C ATOM 1239 O VAL A 77 -10.838 -4.109 -4.421 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.902 -1.696 -3.636 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.786 -2.109 -2.448 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.422 -1.847 -3.246 1.00 0.00 C ATOM 0 H VAL A 77 -8.483 -0.917 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.493 -3.490 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.187 -0.673 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.616 -1.428 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.835 -2.067 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.535 -3.125 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.209 -1.222 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.214 -2.889 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.792 -1.537 -4.080 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.297 -2.501 -5.890 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.580 -3.058 -6.191 1.00 0.00 C ATOM 1254 C ASP A 78 -12.498 -4.399 -6.834 1.00 0.00 C ATOM 1255 O ASP A 78 -13.319 -5.280 -6.588 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.345 -2.083 -7.102 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.845 -2.338 -7.118 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.506 -2.178 -6.057 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.377 -2.699 -8.201 1.00 0.00 O ATOM 0 H ASP A 78 -11.079 -1.640 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.107 -3.200 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.159 -1.062 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.957 -2.163 -8.118 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.466 -4.611 -7.670 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.183 -5.842 -8.341 1.00 0.00 C ATOM 1266 C GLN A 79 -10.598 -6.857 -7.420 1.00 0.00 C ATOM 1267 O GLN A 79 -10.814 -8.058 -7.578 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.221 -5.623 -9.521 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.716 -4.580 -10.523 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.731 -4.422 -11.673 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -9.839 -5.070 -12.713 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.735 -3.512 -11.498 1.00 0.00 N ATOM 0 H GLN A 79 -10.790 -3.880 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.137 -6.216 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.250 -5.313 -9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.071 -6.571 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.690 -4.877 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.851 -3.622 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.670 -2.989 -10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.053 -3.353 -12.240 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.871 -6.390 -6.388 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.321 -7.159 -5.317 1.00 0.00 C ATOM 1283 C LEU A 80 -10.410 -7.641 -4.421 1.00 0.00 C ATOM 1284 O LEU A 80 -10.530 -8.841 -4.186 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.247 -6.370 -4.547 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.035 -5.962 -5.399 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.880 -5.545 -4.472 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.547 -7.047 -6.374 1.00 0.00 C ATOM 0 H LEU A 80 -9.653 -5.398 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.820 -8.031 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.702 -5.472 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.901 -6.973 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.367 -5.130 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.018 -5.255 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.194 -4.702 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.609 -6.383 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.690 -6.674 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.256 -7.935 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.350 -7.302 -7.066 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.306 -6.767 -3.931 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.402 -7.132 -3.087 1.00 0.00 C ATOM 1302 C ILE A 81 -13.362 -8.061 -3.749 1.00 0.00 C ATOM 1303 O ILE A 81 -13.891 -8.968 -3.109 1.00 0.00 O ATOM 1304 CB ILE A 81 -13.068 -5.894 -2.564 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.165 -5.219 -1.519 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.476 -6.144 -1.998 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.639 -3.829 -1.098 1.00 0.00 C ATOM 0 H ILE A 81 -11.266 -5.767 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.005 -7.696 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.209 -5.227 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.108 -5.856 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.155 -5.141 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.896 -5.205 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.116 -6.551 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.416 -6.854 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.951 -3.418 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.668 -3.175 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.636 -3.901 -0.664 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.566 -7.934 -5.072 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.283 -8.894 -5.852 1.00 0.00 C ATOM 1321 C ALA A 82 -13.733 -10.279 -5.869 1.00 0.00 C ATOM 1322 O ALA A 82 -14.450 -11.242 -6.132 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.425 -8.368 -7.290 1.00 0.00 C ATOM 0 H ALA A 82 -13.223 -7.141 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.247 -8.998 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.971 -9.095 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.969 -7.424 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.436 -8.212 -7.720 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.435 -10.475 -5.576 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.857 -11.746 -5.268 1.00 0.00 C ATOM 1331 C LYS A 83 -11.997 -12.011 -3.809 1.00 0.00 C ATOM 1332 O LYS A 83 -12.349 -13.107 -3.377 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.357 -11.779 -5.606 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.004 -11.445 -7.057 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.508 -11.205 -7.271 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.662 -12.480 -7.252 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.232 -12.164 -7.474 1.00 0.00 N ATOM 0 H LYS A 83 -11.758 -9.713 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.377 -12.498 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.839 -11.077 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.972 -12.772 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.331 -12.261 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.556 -10.556 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.365 -10.701 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.145 -10.529 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.783 -12.988 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.012 -13.166 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.716 -13.036 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.144 -11.487 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.830 -11.747 -6.610 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.659 -11.000 -2.988 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.146 -11.181 -1.665 1.00 0.00 C ATOM 1353 C TYR A 84 -12.127 -11.057 -0.551 1.00 0.00 C ATOM 1354 O TYR A 84 -11.831 -11.516 0.551 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.958 -10.237 -1.419 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.765 -10.460 -2.285 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.405 -11.690 -2.783 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.950 -9.392 -2.577 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.285 -11.850 -3.565 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.820 -9.529 -3.348 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.499 -10.762 -3.864 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.398 -10.928 -4.731 1.00 0.00 O ATOM 0 H TYR A 84 -11.746 -10.020 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.836 -12.226 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.298 -9.211 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.651 -10.333 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.016 -12.551 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.205 -8.417 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.024 -12.827 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.190 -8.675 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.940 -10.069 -4.847 1.00 0.00 H new ATOM 1372 N SER A 85 -13.326 -10.485 -0.755 1.00 0.00 N ATOM 1373 CA SER A 85 -14.371 -10.453 0.221 1.00 0.00 C ATOM 1374 C SER A 85 -14.677 -11.767 0.855 1.00 0.00 C ATOM 1375 O SER A 85 -14.635 -11.906 2.077 1.00 0.00 O ATOM 1376 CB SER A 85 -15.677 -9.868 -0.343 1.00 0.00 C ATOM 1377 OG SER A 85 -16.669 -9.669 0.653 1.00 0.00 O ATOM 0 H SER A 85 -13.578 -10.028 -1.631 1.00 0.00 H new ATOM 0 HA SER A 85 -13.968 -9.802 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.462 -8.917 -0.830 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.068 -10.537 -1.109 1.00 0.00 H new ATOM 0 HG SER A 85 -17.476 -9.295 0.241 1.00 0.00 H new ATOM 1383 N SER A 86 -14.974 -12.793 0.038 1.00 0.00 N ATOM 1384 CA SER A 86 -15.048 -14.151 0.481 1.00 0.00 C ATOM 1385 C SER A 86 -14.915 -15.029 -0.754 1.00 0.00 C ATOM 1386 O SER A 86 -15.726 -14.894 -1.710 1.00 0.00 O ATOM 1387 CB SER A 86 -16.359 -14.490 1.210 1.00 0.00 C ATOM 1388 OG SER A 86 -16.361 -15.781 1.801 1.00 0.00 O ATOM 1389 OXT SER A 86 -13.986 -15.879 -0.792 1.00 0.00 O ATOM 0 H SER A 86 -15.168 -12.676 -0.957 1.00 0.00 H new ATOM 0 HA SER A 86 -14.251 -14.321 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.538 -13.744 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.186 -14.421 0.504 1.00 0.00 H new ATOM 0 HG SER A 86 -17.219 -15.934 2.249 1.00 0.00 H new