USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot -137:sc= 0.177 USER MOD Set 1.2: A 54 ASN : amide:sc= -7.94! C(o=-7.8!,f=-5.6!) USER MOD Set 2.1: A 18 SER OG : rot -61:sc= -2.19! USER MOD Set 2.2: A 32 HIS : no HE2:sc= -7.79! C(o=-10!,f=-9.2!) USER MOD Set 3.1: A 14 GLN : amide:sc= -4.91! C(o=-8.4!,f=-7!) USER MOD Set 3.2: A 37 TYR OH : rot 100:sc= -3.47! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -103:sc= -1.29! (180deg=-2.92!) USER MOD Single : A 6 TYR OH : rot -154:sc= 1.36 USER MOD Single : A 7 SER OG : rot -110:sc= 0 USER MOD Single : A 8 TYR OH : rot 130:sc= -2.23 USER MOD Single : A 10 GLN : amide:sc= -2.19 X(o=-2.2,f=-1.9) USER MOD Single : A 17 SER OG : rot 71:sc= -1.89! USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 GLN : amide:sc= -0.606 K(o=-0.61,f=-3.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -56:sc= -1.38! USER MOD Single : A 34 THR OG1 : rot -89:sc= -0.524 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 165:sc= -0.61 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -15! C(o=-15!,f=-24!) USER MOD Single : A 49 ASN : amide:sc= -1.56! C(o=-1.6!,f=-3.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.15) USER MOD Single : A 56 SER OG : rot -150:sc= 0.0018 USER MOD Single : A 58 ASN : amide:sc= -6.51! C(o=-6.5!,f=-12!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.0206 (180deg=-0.211) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.624 K(o=-0.62,f=-2.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0622 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.013) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 101 SER OG : rot 180:sc= -0.544 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 15.217 11.537 -11.061 1.00 0.00 N ATOM 2 CA GLU A 1 14.585 10.190 -10.968 1.00 0.00 C ATOM 3 C GLU A 1 15.011 9.519 -9.660 1.00 0.00 C ATOM 4 O GLU A 1 16.045 8.887 -9.584 1.00 0.00 O ATOM 5 CB GLU A 1 15.037 9.332 -12.153 1.00 0.00 C ATOM 6 CG GLU A 1 13.863 8.487 -12.654 1.00 0.00 C ATOM 7 CD GLU A 1 12.958 9.347 -13.539 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.483 10.018 -14.413 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.758 9.317 -13.330 1.00 0.00 O ATOM 0 H1 GLU A 1 14.929 11.995 -11.949 1.00 0.00 H new ATOM 0 H2 GLU A 1 14.912 12.120 -10.256 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.252 11.437 -11.043 1.00 0.00 H new ATOM 0 HA GLU A 1 13.500 10.294 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.408 9.969 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.861 8.685 -11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.232 7.630 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.297 8.094 -11.809 1.00 0.00 H new ATOM 18 N SER A 2 14.224 9.654 -8.625 1.00 0.00 N ATOM 19 CA SER A 2 14.591 9.023 -7.326 1.00 0.00 C ATOM 20 C SER A 2 13.662 7.838 -7.045 1.00 0.00 C ATOM 21 O SER A 2 13.663 7.281 -5.966 1.00 0.00 O ATOM 22 CB SER A 2 14.453 10.056 -6.204 1.00 0.00 C ATOM 23 OG SER A 2 15.258 11.189 -6.507 1.00 0.00 O ATOM 0 H SER A 2 13.346 10.173 -8.624 1.00 0.00 H new ATOM 0 HA SER A 2 15.621 8.669 -7.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.410 10.355 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.761 9.621 -5.253 1.00 0.00 H new ATOM 0 HG SER A 2 15.171 11.853 -5.792 1.00 0.00 H new ATOM 29 N LYS A 3 12.870 7.447 -8.007 1.00 0.00 N ATOM 30 CA LYS A 3 11.946 6.297 -7.790 1.00 0.00 C ATOM 31 C LYS A 3 12.039 5.324 -8.973 1.00 0.00 C ATOM 32 O LYS A 3 11.046 5.028 -9.607 1.00 0.00 O ATOM 33 CB LYS A 3 10.512 6.820 -7.670 1.00 0.00 C ATOM 34 CG LYS A 3 9.543 5.641 -7.556 1.00 0.00 C ATOM 35 CD LYS A 3 8.403 5.819 -8.561 1.00 0.00 C ATOM 36 CE LYS A 3 7.815 7.225 -8.425 1.00 0.00 C ATOM 37 NZ LYS A 3 8.297 8.075 -9.550 1.00 0.00 N ATOM 0 H LYS A 3 12.823 7.874 -8.932 1.00 0.00 H new ATOM 0 HA LYS A 3 12.226 5.774 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.421 7.464 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.262 7.427 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.068 4.705 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.144 5.581 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.771 5.664 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.629 5.072 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.726 7.178 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.109 7.663 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.048 8.708 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.672 7.469 -10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.507 8.642 -9.920 1.00 0.00 H new ATOM 51 N PRO A 4 13.235 4.855 -9.235 1.00 0.00 N ATOM 52 CA PRO A 4 13.496 3.911 -10.340 1.00 0.00 C ATOM 53 C PRO A 4 12.985 2.469 -10.080 1.00 0.00 C ATOM 54 O PRO A 4 12.638 1.791 -11.026 1.00 0.00 O ATOM 55 CB PRO A 4 15.021 3.942 -10.488 1.00 0.00 C ATOM 56 CG PRO A 4 15.588 4.461 -9.147 1.00 0.00 C ATOM 57 CD PRO A 4 14.441 5.229 -8.460 1.00 0.00 C ATOM 0 HA PRO A 4 12.958 4.207 -11.241 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.408 2.948 -10.713 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.317 4.593 -11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.931 3.635 -8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.446 5.112 -9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.344 4.946 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.612 6.305 -8.485 1.00 0.00 H new ATOM 65 N PRO A 5 12.958 2.012 -8.842 1.00 0.00 N ATOM 66 CA PRO A 5 12.501 0.638 -8.542 1.00 0.00 C ATOM 67 C PRO A 5 10.974 0.521 -8.615 1.00 0.00 C ATOM 68 O PRO A 5 10.443 -0.374 -9.243 1.00 0.00 O ATOM 69 CB PRO A 5 12.988 0.396 -7.112 1.00 0.00 C ATOM 70 CG PRO A 5 13.179 1.790 -6.478 1.00 0.00 C ATOM 71 CD PRO A 5 13.361 2.779 -7.644 1.00 0.00 C ATOM 0 HA PRO A 5 12.886 -0.088 -9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.263 -0.191 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.923 -0.164 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.316 2.061 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.048 1.801 -5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.741 3.666 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.394 3.120 -7.719 1.00 0.00 H new ATOM 79 N TYR A 6 10.264 1.396 -7.962 1.00 0.00 N ATOM 80 CA TYR A 6 8.777 1.305 -7.979 1.00 0.00 C ATOM 81 C TYR A 6 8.184 2.362 -8.902 1.00 0.00 C ATOM 82 O TYR A 6 8.827 3.325 -9.268 1.00 0.00 O ATOM 83 CB TYR A 6 8.251 1.502 -6.563 1.00 0.00 C ATOM 84 CG TYR A 6 9.104 0.697 -5.616 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.703 -0.492 -6.054 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.301 1.142 -4.308 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.500 -1.236 -5.178 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.097 0.397 -3.430 1.00 0.00 C ATOM 89 CZ TYR A 6 10.697 -0.792 -3.865 1.00 0.00 C ATOM 90 OH TYR A 6 11.483 -1.526 -2.999 1.00 0.00 O ATOM 0 H TYR A 6 10.647 2.169 -7.418 1.00 0.00 H new ATOM 0 HA TYR A 6 8.484 0.323 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.279 2.558 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.211 1.184 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.549 -0.833 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.840 2.060 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.963 -2.152 -5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.249 0.739 -2.417 1.00 0.00 H new ATOM 0 HH TYR A 6 11.206 -1.349 -2.076 1.00 0.00 H new ATOM 100 N SER A 7 6.955 2.174 -9.279 1.00 0.00 N ATOM 101 CA SER A 7 6.287 3.143 -10.181 1.00 0.00 C ATOM 102 C SER A 7 4.867 3.386 -9.675 1.00 0.00 C ATOM 103 O SER A 7 4.552 3.100 -8.537 1.00 0.00 O ATOM 104 CB SER A 7 6.245 2.551 -11.586 1.00 0.00 C ATOM 105 OG SER A 7 6.760 3.498 -12.513 1.00 0.00 O ATOM 0 H SER A 7 6.379 1.381 -8.997 1.00 0.00 H new ATOM 0 HA SER A 7 6.830 4.088 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.831 1.633 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.221 2.286 -11.851 1.00 0.00 H new ATOM 0 HG SER A 7 6.032 3.834 -13.076 1.00 0.00 H new ATOM 111 N TYR A 8 4.007 3.913 -10.497 1.00 0.00 N ATOM 112 CA TYR A 8 2.615 4.165 -10.036 1.00 0.00 C ATOM 113 C TYR A 8 1.695 3.053 -10.539 1.00 0.00 C ATOM 114 O TYR A 8 0.697 3.293 -11.189 1.00 0.00 O ATOM 115 CB TYR A 8 2.154 5.525 -10.554 1.00 0.00 C ATOM 116 CG TYR A 8 2.674 6.608 -9.633 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.678 6.319 -8.692 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.156 7.903 -9.720 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.155 7.322 -7.845 1.00 0.00 C ATOM 120 CE2 TYR A 8 2.634 8.906 -8.871 1.00 0.00 C ATOM 121 CZ TYR A 8 3.634 8.618 -7.934 1.00 0.00 C ATOM 122 OH TYR A 8 4.106 9.610 -7.100 1.00 0.00 O ATOM 0 H TYR A 8 4.205 4.179 -11.462 1.00 0.00 H new ATOM 0 HA TYR A 8 2.580 4.172 -8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.521 5.685 -11.568 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.066 5.561 -10.600 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.081 5.319 -8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.386 8.129 -10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.925 7.098 -7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.231 9.906 -8.938 1.00 0.00 H new ATOM 0 HH TYR A 8 4.341 10.399 -7.631 1.00 0.00 H new ATOM 132 N ALA A 9 2.036 1.837 -10.223 1.00 0.00 N ATOM 133 CA ALA A 9 1.210 0.674 -10.648 1.00 0.00 C ATOM 134 C ALA A 9 1.878 -0.597 -10.125 1.00 0.00 C ATOM 135 O ALA A 9 1.228 -1.511 -9.664 1.00 0.00 O ATOM 136 CB ALA A 9 1.123 0.627 -12.173 1.00 0.00 C ATOM 0 H ALA A 9 2.865 1.596 -9.680 1.00 0.00 H new ATOM 0 HA ALA A 9 0.200 0.762 -10.248 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.517 -0.227 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.665 1.546 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.125 0.528 -12.592 1.00 0.00 H new ATOM 142 N GLN A 10 3.181 -0.632 -10.157 1.00 0.00 N ATOM 143 CA GLN A 10 3.925 -1.807 -9.625 1.00 0.00 C ATOM 144 C GLN A 10 4.189 -1.522 -8.155 1.00 0.00 C ATOM 145 O GLN A 10 4.289 -2.411 -7.333 1.00 0.00 O ATOM 146 CB GLN A 10 5.252 -1.958 -10.372 1.00 0.00 C ATOM 147 CG GLN A 10 6.048 -3.117 -9.772 1.00 0.00 C ATOM 148 CD GLN A 10 7.459 -2.642 -9.419 1.00 0.00 C ATOM 149 OE1 GLN A 10 7.738 -2.318 -8.281 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.369 -2.591 -10.353 1.00 0.00 N ATOM 0 H GLN A 10 3.768 0.112 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 10 3.357 -2.729 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.067 -2.140 -11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.827 -1.034 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.546 -3.493 -8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.098 -3.943 -10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.135 -2.863 -11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.314 -2.279 -10.128 1.00 0.00 H new ATOM 159 N LEU A 11 4.262 -0.263 -7.828 1.00 0.00 N ATOM 160 CA LEU A 11 4.472 0.145 -6.423 1.00 0.00 C ATOM 161 C LEU A 11 3.265 -0.344 -5.628 1.00 0.00 C ATOM 162 O LEU A 11 3.374 -0.805 -4.509 1.00 0.00 O ATOM 163 CB LEU A 11 4.551 1.670 -6.395 1.00 0.00 C ATOM 164 CG LEU A 11 4.584 2.177 -4.964 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.934 2.837 -4.711 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.477 3.211 -4.780 1.00 0.00 C ATOM 0 H LEU A 11 4.183 0.509 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 11 5.385 -0.271 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.443 2.003 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.693 2.094 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 11 4.437 1.352 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.972 3.206 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.730 2.108 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.067 3.670 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.492 3.582 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.636 4.041 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.511 2.750 -4.985 1.00 0.00 H new ATOM 178 N ILE A 12 2.116 -0.259 -6.234 1.00 0.00 N ATOM 179 CA ILE A 12 0.864 -0.731 -5.575 1.00 0.00 C ATOM 180 C ILE A 12 0.933 -2.245 -5.398 1.00 0.00 C ATOM 181 O ILE A 12 0.627 -2.780 -4.351 1.00 0.00 O ATOM 182 CB ILE A 12 -0.334 -0.420 -6.469 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.146 0.922 -7.203 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.596 -0.379 -5.614 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.609 1.917 -6.320 1.00 0.00 C ATOM 0 H ILE A 12 1.987 0.123 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 12 0.758 -0.232 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.423 -1.202 -7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.403 0.761 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.118 1.333 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.456 -0.157 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.740 -1.346 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.495 0.395 -4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.732 2.858 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.045 2.092 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.589 1.511 -6.070 1.00 0.00 H new ATOM 197 N VAL A 13 1.310 -2.938 -6.433 1.00 0.00 N ATOM 198 CA VAL A 13 1.391 -4.419 -6.359 1.00 0.00 C ATOM 199 C VAL A 13 2.217 -4.836 -5.142 1.00 0.00 C ATOM 200 O VAL A 13 1.998 -5.879 -4.562 1.00 0.00 O ATOM 201 CB VAL A 13 2.044 -4.933 -7.635 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.179 -6.453 -7.566 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.163 -4.536 -8.818 1.00 0.00 C ATOM 0 H VAL A 13 1.568 -2.537 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 13 0.391 -4.842 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 13 3.038 -4.502 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.647 -6.819 -8.480 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.796 -6.725 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.191 -6.902 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.613 -4.895 -9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.174 -4.979 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.072 -3.450 -8.856 1.00 0.00 H new ATOM 213 N GLN A 14 3.150 -4.027 -4.733 1.00 0.00 N ATOM 214 CA GLN A 14 3.949 -4.387 -3.532 1.00 0.00 C ATOM 215 C GLN A 14 3.079 -4.137 -2.303 1.00 0.00 C ATOM 216 O GLN A 14 3.130 -4.855 -1.325 1.00 0.00 O ATOM 217 CB GLN A 14 5.201 -3.511 -3.459 1.00 0.00 C ATOM 218 CG GLN A 14 6.424 -4.330 -3.871 1.00 0.00 C ATOM 219 CD GLN A 14 7.418 -3.426 -4.598 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.258 -3.898 -5.339 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.362 -2.135 -4.416 1.00 0.00 N ATOM 0 H GLN A 14 3.393 -3.140 -5.173 1.00 0.00 H new ATOM 0 HA GLN A 14 4.257 -5.431 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.092 -2.647 -4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.331 -3.128 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.893 -4.772 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.123 -5.153 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.658 -1.738 -3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.023 -1.523 -4.895 1.00 0.00 H new ATOM 230 N ALA A 15 2.279 -3.110 -2.361 1.00 0.00 N ATOM 231 CA ALA A 15 1.387 -2.772 -1.221 1.00 0.00 C ATOM 232 C ALA A 15 0.391 -3.910 -0.964 1.00 0.00 C ATOM 233 O ALA A 15 0.399 -4.515 0.089 1.00 0.00 O ATOM 234 CB ALA A 15 0.625 -1.487 -1.546 1.00 0.00 C ATOM 0 H ALA A 15 2.205 -2.483 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 15 1.991 -2.630 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.032 -1.233 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.334 -0.675 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.029 -1.635 -2.446 1.00 0.00 H new ATOM 240 N ILE A 16 -0.480 -4.206 -1.899 1.00 0.00 N ATOM 241 CA ILE A 16 -1.466 -5.303 -1.645 1.00 0.00 C ATOM 242 C ILE A 16 -0.757 -6.653 -1.636 1.00 0.00 C ATOM 243 O ILE A 16 -1.248 -7.618 -1.084 1.00 0.00 O ATOM 244 CB ILE A 16 -2.564 -5.329 -2.701 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.027 -4.935 -4.073 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.672 -4.353 -2.307 1.00 0.00 C ATOM 247 CD1 ILE A 16 -0.833 -5.802 -4.451 1.00 0.00 C ATOM 0 H ILE A 16 -0.551 -3.747 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.923 -5.111 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.951 -6.346 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.812 -5.042 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.734 -3.885 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.458 -4.371 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.088 -4.645 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.261 -3.346 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.464 -5.505 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.042 -5.674 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.137 -6.848 -4.479 1.00 0.00 H new ATOM 259 N SER A 17 0.398 -6.734 -2.225 1.00 0.00 N ATOM 260 CA SER A 17 1.134 -8.024 -2.213 1.00 0.00 C ATOM 261 C SER A 17 1.440 -8.366 -0.757 1.00 0.00 C ATOM 262 O SER A 17 1.786 -9.480 -0.421 1.00 0.00 O ATOM 263 CB SER A 17 2.443 -7.898 -2.999 1.00 0.00 C ATOM 264 OG SER A 17 2.197 -8.189 -4.368 1.00 0.00 O ATOM 0 H SER A 17 0.863 -5.968 -2.712 1.00 0.00 H new ATOM 0 HA SER A 17 0.533 -8.805 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.847 -6.891 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.189 -8.584 -2.598 1.00 0.00 H new ATOM 0 HG SER A 17 1.682 -7.458 -4.770 1.00 0.00 H new ATOM 270 N SER A 18 1.301 -7.398 0.111 1.00 0.00 N ATOM 271 CA SER A 18 1.564 -7.637 1.553 1.00 0.00 C ATOM 272 C SER A 18 0.237 -7.614 2.313 1.00 0.00 C ATOM 273 O SER A 18 0.164 -8.006 3.461 1.00 0.00 O ATOM 274 CB SER A 18 2.484 -6.541 2.089 1.00 0.00 C ATOM 275 OG SER A 18 1.774 -5.310 2.131 1.00 0.00 O ATOM 0 H SER A 18 1.015 -6.447 -0.123 1.00 0.00 H new ATOM 0 HA SER A 18 2.044 -8.606 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.839 -6.803 3.086 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.364 -6.445 1.452 1.00 0.00 H new ATOM 0 HG SER A 18 1.488 -5.066 1.226 1.00 0.00 H new ATOM 281 N ALA A 19 -0.819 -7.159 1.685 1.00 0.00 N ATOM 282 CA ALA A 19 -2.134 -7.118 2.384 1.00 0.00 C ATOM 283 C ALA A 19 -2.520 -8.535 2.813 1.00 0.00 C ATOM 284 O ALA A 19 -2.091 -9.507 2.225 1.00 0.00 O ATOM 285 CB ALA A 19 -3.201 -6.562 1.437 1.00 0.00 C ATOM 0 H ALA A 19 -0.825 -6.817 0.724 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.062 -6.476 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.163 -6.533 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.924 -5.554 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.278 -7.203 0.559 1.00 0.00 H new ATOM 291 N GLN A 20 -3.326 -8.657 3.835 1.00 0.00 N ATOM 292 CA GLN A 20 -3.741 -10.010 4.309 1.00 0.00 C ATOM 293 C GLN A 20 -4.034 -10.906 3.105 1.00 0.00 C ATOM 294 O GLN A 20 -3.250 -11.764 2.751 1.00 0.00 O ATOM 295 CB GLN A 20 -5.004 -9.882 5.163 1.00 0.00 C ATOM 296 CG GLN A 20 -4.617 -9.546 6.605 1.00 0.00 C ATOM 297 CD GLN A 20 -5.323 -8.259 7.036 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.195 -7.237 6.392 1.00 0.00 O ATOM 299 NE2 GLN A 20 -6.069 -8.266 8.106 1.00 0.00 N ATOM 0 H GLN A 20 -3.716 -7.876 4.363 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.939 -10.449 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.651 -9.104 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.570 -10.813 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.895 -10.365 7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.537 -9.425 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.177 -9.124 8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.545 -7.414 8.402 1.00 0.00 H new ATOM 308 N ASP A 21 -5.157 -10.711 2.474 1.00 0.00 N ATOM 309 CA ASP A 21 -5.500 -11.547 1.292 1.00 0.00 C ATOM 310 C ASP A 21 -4.874 -10.931 0.041 1.00 0.00 C ATOM 311 O ASP A 21 -3.940 -11.461 -0.525 1.00 0.00 O ATOM 312 CB ASP A 21 -7.021 -11.594 1.130 1.00 0.00 C ATOM 313 CG ASP A 21 -7.429 -12.937 0.522 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.177 -13.950 1.152 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.985 -12.928 -0.563 1.00 0.00 O ATOM 0 H ASP A 21 -5.852 -10.009 2.726 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.117 -12.558 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.505 -11.459 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.354 -10.777 0.490 1.00 0.00 H new ATOM 320 N ARG A 22 -5.382 -9.811 -0.391 1.00 0.00 N ATOM 321 CA ARG A 22 -4.819 -9.153 -1.604 1.00 0.00 C ATOM 322 C ARG A 22 -5.587 -7.858 -1.883 1.00 0.00 C ATOM 323 O ARG A 22 -5.722 -7.441 -3.016 1.00 0.00 O ATOM 324 CB ARG A 22 -4.954 -10.095 -2.803 1.00 0.00 C ATOM 325 CG ARG A 22 -3.591 -10.708 -3.131 1.00 0.00 C ATOM 326 CD ARG A 22 -3.776 -12.164 -3.560 1.00 0.00 C ATOM 327 NE ARG A 22 -4.921 -12.263 -4.508 1.00 0.00 N ATOM 328 CZ ARG A 22 -5.885 -13.111 -4.280 1.00 0.00 C ATOM 329 NH1 ARG A 22 -5.621 -14.384 -4.168 1.00 0.00 N ATOM 330 NH2 ARG A 22 -7.113 -12.687 -4.161 1.00 0.00 N ATOM 0 H ARG A 22 -6.164 -9.322 0.044 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.766 -8.923 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.674 -10.883 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.336 -9.549 -3.666 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.108 -10.142 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.937 -10.655 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.866 -12.533 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.958 -12.791 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.951 -11.667 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.661 -14.716 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.375 -15.047 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.319 -11.692 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.867 -13.351 -3.983 1.00 0.00 H new ATOM 344 N GLN A 23 -6.090 -7.218 -0.859 1.00 0.00 N ATOM 345 CA GLN A 23 -6.850 -5.954 -1.069 1.00 0.00 C ATOM 346 C GLN A 23 -6.391 -4.900 -0.060 1.00 0.00 C ATOM 347 O GLN A 23 -6.331 -5.147 1.128 1.00 0.00 O ATOM 348 CB GLN A 23 -8.345 -6.219 -0.870 1.00 0.00 C ATOM 349 CG GLN A 23 -8.553 -7.019 0.418 1.00 0.00 C ATOM 350 CD GLN A 23 -10.052 -7.147 0.700 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.852 -6.433 0.130 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.468 -8.034 1.563 1.00 0.00 N ATOM 0 H GLN A 23 -6.006 -7.518 0.112 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.669 -5.592 -2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.889 -5.276 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.744 -6.770 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.104 -8.008 0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.056 -6.523 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.796 -8.634 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.465 -8.127 1.758 1.00 0.00 H new ATOM 361 N LEU A 24 -6.078 -3.720 -0.521 1.00 0.00 N ATOM 362 CA LEU A 24 -5.639 -2.648 0.412 1.00 0.00 C ATOM 363 C LEU A 24 -6.647 -1.508 0.367 1.00 0.00 C ATOM 364 O LEU A 24 -7.241 -1.241 -0.654 1.00 0.00 O ATOM 365 CB LEU A 24 -4.273 -2.112 -0.017 1.00 0.00 C ATOM 366 CG LEU A 24 -3.171 -2.994 0.566 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.808 -2.472 0.114 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.251 -2.957 2.094 1.00 0.00 C ATOM 0 H LEU A 24 -6.108 -3.453 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.570 -3.055 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.203 -2.096 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.150 -1.085 0.326 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.299 -4.019 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.021 -3.101 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.753 -2.494 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.676 -1.448 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.466 -3.585 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.120 -1.932 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.224 -3.327 2.416 1.00 0.00 H new ATOM 380 N THR A 25 -6.833 -0.817 1.454 1.00 0.00 N ATOM 381 CA THR A 25 -7.793 0.317 1.442 1.00 0.00 C ATOM 382 C THR A 25 -7.104 1.507 0.782 1.00 0.00 C ATOM 383 O THR A 25 -5.938 1.443 0.449 1.00 0.00 O ATOM 384 CB THR A 25 -8.187 0.674 2.878 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.243 1.594 3.413 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.212 -0.596 3.732 1.00 0.00 C ATOM 0 H THR A 25 -6.365 -0.987 2.344 1.00 0.00 H new ATOM 0 HA THR A 25 -8.695 0.049 0.892 1.00 0.00 H new ATOM 0 HB THR A 25 -9.177 1.130 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.495 1.824 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.492 -0.342 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.938 -1.297 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.223 -1.055 3.731 1.00 0.00 H new ATOM 394 N LEU A 26 -7.795 2.591 0.578 1.00 0.00 N ATOM 395 CA LEU A 26 -7.124 3.755 -0.070 1.00 0.00 C ATOM 396 C LEU A 26 -5.952 4.191 0.808 1.00 0.00 C ATOM 397 O LEU A 26 -4.888 4.513 0.322 1.00 0.00 O ATOM 398 CB LEU A 26 -8.101 4.925 -0.250 1.00 0.00 C ATOM 399 CG LEU A 26 -8.033 5.415 -1.699 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.449 5.613 -2.239 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.277 6.745 -1.752 1.00 0.00 C ATOM 0 H LEU A 26 -8.776 2.724 0.825 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.770 3.459 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.115 4.609 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.847 5.735 0.433 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.513 4.675 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.400 5.962 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.988 4.667 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.970 6.352 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.228 7.095 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.797 7.484 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.267 6.605 -1.368 1.00 0.00 H new ATOM 413 N SER A 27 -6.135 4.190 2.100 1.00 0.00 N ATOM 414 CA SER A 27 -5.027 4.596 3.009 1.00 0.00 C ATOM 415 C SER A 27 -4.292 3.353 3.516 1.00 0.00 C ATOM 416 O SER A 27 -3.736 3.350 4.596 1.00 0.00 O ATOM 417 CB SER A 27 -5.602 5.364 4.197 1.00 0.00 C ATOM 418 OG SER A 27 -5.720 6.738 3.857 1.00 0.00 O ATOM 0 H SER A 27 -7.004 3.926 2.565 1.00 0.00 H new ATOM 0 HA SER A 27 -4.328 5.231 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.577 4.960 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.956 5.247 5.067 1.00 0.00 H new ATOM 0 HG SER A 27 -6.091 7.233 4.618 1.00 0.00 H new ATOM 424 N GLY A 28 -4.271 2.304 2.743 1.00 0.00 N ATOM 425 CA GLY A 28 -3.553 1.073 3.179 1.00 0.00 C ATOM 426 C GLY A 28 -2.212 1.044 2.464 1.00 0.00 C ATOM 427 O GLY A 28 -1.164 0.880 3.057 1.00 0.00 O ATOM 0 H GLY A 28 -4.719 2.245 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.411 1.076 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.135 0.184 2.936 1.00 0.00 H new ATOM 431 N ILE A 29 -2.262 1.219 1.180 1.00 0.00 N ATOM 432 CA ILE A 29 -1.035 1.230 0.354 1.00 0.00 C ATOM 433 C ILE A 29 -0.067 2.271 0.885 1.00 0.00 C ATOM 434 O ILE A 29 1.134 2.088 0.889 1.00 0.00 O ATOM 435 CB ILE A 29 -1.436 1.599 -1.057 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.197 1.735 -1.922 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.190 2.921 -1.049 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.626 2.190 -3.304 1.00 0.00 C ATOM 0 H ILE A 29 -3.126 1.358 0.656 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.552 0.253 0.380 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.079 0.816 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.495 2.454 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.330 0.783 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.477 3.183 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.084 2.826 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.550 3.703 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.252 2.294 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.303 1.453 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.136 3.151 -3.229 1.00 0.00 H new ATOM 450 N TYR A 30 -0.593 3.367 1.320 1.00 0.00 N ATOM 451 CA TYR A 30 0.273 4.453 1.845 1.00 0.00 C ATOM 452 C TYR A 30 0.952 3.987 3.129 1.00 0.00 C ATOM 453 O TYR A 30 2.155 4.070 3.267 1.00 0.00 O ATOM 454 CB TYR A 30 -0.589 5.681 2.126 1.00 0.00 C ATOM 455 CG TYR A 30 -1.443 5.953 0.914 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.916 5.742 -0.361 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.755 6.405 1.062 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.697 5.984 -1.493 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.541 6.647 -0.069 1.00 0.00 C ATOM 460 CZ TYR A 30 -3.014 6.436 -1.347 1.00 0.00 C ATOM 461 OH TYR A 30 -3.790 6.681 -2.462 1.00 0.00 O ATOM 0 H TYR A 30 -1.594 3.564 1.337 1.00 0.00 H new ATOM 0 HA TYR A 30 1.039 4.706 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.216 5.511 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.040 6.543 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.099 5.390 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.163 6.568 2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.286 5.823 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.556 6.997 0.045 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.332 7.322 -3.045 1.00 0.00 H new ATOM 471 N ALA A 31 0.199 3.482 4.064 1.00 0.00 N ATOM 472 CA ALA A 31 0.817 2.999 5.328 1.00 0.00 C ATOM 473 C ALA A 31 1.716 1.801 5.017 1.00 0.00 C ATOM 474 O ALA A 31 2.504 1.375 5.838 1.00 0.00 O ATOM 475 CB ALA A 31 -0.279 2.574 6.305 1.00 0.00 C ATOM 0 H ALA A 31 -0.815 3.383 4.008 1.00 0.00 H new ATOM 0 HA ALA A 31 1.408 3.798 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.176 2.220 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.925 3.425 6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.871 1.773 5.862 1.00 0.00 H new ATOM 481 N HIS A 32 1.602 1.251 3.838 1.00 0.00 N ATOM 482 CA HIS A 32 2.445 0.080 3.476 1.00 0.00 C ATOM 483 C HIS A 32 3.865 0.545 3.144 1.00 0.00 C ATOM 484 O HIS A 32 4.814 0.226 3.832 1.00 0.00 O ATOM 485 CB HIS A 32 1.843 -0.616 2.254 1.00 0.00 C ATOM 486 CG HIS A 32 2.793 -1.673 1.763 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.752 -2.977 2.229 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.816 -1.632 0.849 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.724 -3.662 1.601 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.403 -2.890 0.748 1.00 0.00 N ATOM 0 H HIS A 32 0.960 1.564 3.110 1.00 0.00 H new ATOM 0 HA HIS A 32 2.480 -0.612 4.317 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.884 -1.065 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.651 0.111 1.465 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.103 -3.350 2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.119 -0.757 0.293 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.931 -4.709 1.766 1.00 0.00 H new ATOM 498 N ILE A 33 4.014 1.285 2.080 1.00 0.00 N ATOM 499 CA ILE A 33 5.368 1.764 1.674 1.00 0.00 C ATOM 500 C ILE A 33 5.974 2.656 2.761 1.00 0.00 C ATOM 501 O ILE A 33 7.163 2.631 3.000 1.00 0.00 O ATOM 502 CB ILE A 33 5.247 2.572 0.386 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.196 3.663 0.575 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.829 1.651 -0.763 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.878 4.956 1.027 1.00 0.00 C ATOM 0 H ILE A 33 3.252 1.581 1.470 1.00 0.00 H new ATOM 0 HA ILE A 33 6.014 0.899 1.524 1.00 0.00 H new ATOM 0 HB ILE A 33 6.209 3.026 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.658 3.830 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.460 3.349 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.743 2.231 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.579 0.871 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.867 1.194 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.128 5.735 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.396 4.784 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.597 5.272 0.271 1.00 0.00 H new ATOM 517 N THR A 34 5.180 3.455 3.413 1.00 0.00 N ATOM 518 CA THR A 34 5.745 4.347 4.466 1.00 0.00 C ATOM 519 C THR A 34 6.455 3.496 5.519 1.00 0.00 C ATOM 520 O THR A 34 7.383 3.939 6.166 1.00 0.00 O ATOM 521 CB THR A 34 4.621 5.145 5.131 1.00 0.00 C ATOM 522 OG1 THR A 34 3.441 4.356 5.175 1.00 0.00 O ATOM 523 CG2 THR A 34 4.358 6.421 4.330 1.00 0.00 C ATOM 0 H THR A 34 4.173 3.531 3.266 1.00 0.00 H new ATOM 0 HA THR A 34 6.454 5.039 4.010 1.00 0.00 H new ATOM 0 HB THR A 34 4.915 5.411 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.924 4.495 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.557 6.989 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.264 7.026 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.064 6.159 3.314 1.00 0.00 H new ATOM 531 N LYS A 35 6.031 2.276 5.692 1.00 0.00 N ATOM 532 CA LYS A 35 6.687 1.398 6.700 1.00 0.00 C ATOM 533 C LYS A 35 7.892 0.695 6.067 1.00 0.00 C ATOM 534 O LYS A 35 8.827 0.318 6.744 1.00 0.00 O ATOM 535 CB LYS A 35 5.686 0.349 7.191 1.00 0.00 C ATOM 536 CG LYS A 35 5.575 0.422 8.715 1.00 0.00 C ATOM 537 CD LYS A 35 5.294 -0.974 9.275 1.00 0.00 C ATOM 538 CE LYS A 35 6.369 -1.339 10.300 1.00 0.00 C ATOM 539 NZ LYS A 35 5.794 -1.263 11.672 1.00 0.00 N ATOM 0 H LYS A 35 5.259 1.849 5.180 1.00 0.00 H new ATOM 0 HA LYS A 35 7.024 2.004 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.710 0.521 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.008 -0.647 6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.499 0.816 9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.776 1.107 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.309 -0.999 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.283 -1.706 8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.744 -2.344 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.217 -0.660 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.525 -1.511 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.456 -0.296 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.999 -1.928 11.752 1.00 0.00 H new ATOM 553 N HIS A 36 7.874 0.505 4.773 1.00 0.00 N ATOM 554 CA HIS A 36 9.017 -0.184 4.105 1.00 0.00 C ATOM 555 C HIS A 36 9.857 0.826 3.318 1.00 0.00 C ATOM 556 O HIS A 36 11.012 1.049 3.615 1.00 0.00 O ATOM 557 CB HIS A 36 8.476 -1.246 3.146 1.00 0.00 C ATOM 558 CG HIS A 36 7.930 -2.401 3.937 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.754 -3.311 4.582 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.645 -2.805 4.201 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.962 -4.209 5.197 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.667 -3.947 4.997 1.00 0.00 N ATOM 0 H HIS A 36 7.119 0.796 4.152 1.00 0.00 H new ATOM 0 HA HIS A 36 9.643 -0.652 4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.694 -0.820 2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.269 -1.589 2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.752 -2.312 3.845 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.329 -5.040 5.781 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.867 -4.471 5.351 1.00 0.00 H new ATOM 570 N TYR A 37 9.288 1.427 2.306 1.00 0.00 N ATOM 571 CA TYR A 37 10.057 2.410 1.489 1.00 0.00 C ATOM 572 C TYR A 37 10.136 3.754 2.230 1.00 0.00 C ATOM 573 O TYR A 37 9.131 4.407 2.425 1.00 0.00 O ATOM 574 CB TYR A 37 9.343 2.614 0.149 1.00 0.00 C ATOM 575 CG TYR A 37 9.020 1.272 -0.458 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.843 0.173 -0.194 1.00 0.00 C ATOM 577 CD2 TYR A 37 7.897 1.126 -1.282 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.546 -1.076 -0.754 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.599 -0.123 -1.843 1.00 0.00 C ATOM 580 CZ TYR A 37 8.424 -1.224 -1.579 1.00 0.00 C ATOM 581 OH TYR A 37 8.130 -2.454 -2.131 1.00 0.00 O ATOM 0 H TYR A 37 8.323 1.279 2.010 1.00 0.00 H new ATOM 0 HA TYR A 37 11.065 2.032 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.428 3.188 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.975 3.189 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.708 0.287 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.261 1.975 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.182 -1.925 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.733 -0.237 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 37 7.424 -2.888 -1.607 1.00 0.00 H new ATOM 591 N PRO A 38 11.334 4.127 2.620 1.00 0.00 N ATOM 592 CA PRO A 38 11.576 5.389 3.342 1.00 0.00 C ATOM 593 C PRO A 38 11.612 6.563 2.359 1.00 0.00 C ATOM 594 O PRO A 38 11.370 7.698 2.721 1.00 0.00 O ATOM 595 CB PRO A 38 12.950 5.178 3.982 1.00 0.00 C ATOM 596 CG PRO A 38 13.657 4.084 3.147 1.00 0.00 C ATOM 597 CD PRO A 38 12.553 3.328 2.384 1.00 0.00 C ATOM 0 HA PRO A 38 10.801 5.622 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.527 6.103 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.851 4.869 5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.372 4.527 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.216 3.406 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.782 3.256 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.439 2.309 2.755 1.00 0.00 H new ATOM 605 N TYR A 39 11.908 6.296 1.117 1.00 0.00 N ATOM 606 CA TYR A 39 11.958 7.392 0.109 1.00 0.00 C ATOM 607 C TYR A 39 10.585 8.066 0.044 1.00 0.00 C ATOM 608 O TYR A 39 10.462 9.217 -0.326 1.00 0.00 O ATOM 609 CB TYR A 39 12.326 6.802 -1.261 1.00 0.00 C ATOM 610 CG TYR A 39 11.866 7.724 -2.369 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.670 8.796 -2.772 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.628 7.507 -2.987 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.239 9.650 -3.795 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.197 8.361 -4.009 1.00 0.00 C ATOM 615 CZ TYR A 39 11.001 9.432 -4.413 1.00 0.00 C ATOM 616 OH TYR A 39 10.575 10.275 -5.420 1.00 0.00 O ATOM 0 H TYR A 39 12.118 5.365 0.756 1.00 0.00 H new ATOM 0 HA TYR A 39 12.709 8.131 0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.404 6.656 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.864 5.822 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.624 8.965 -2.294 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.006 6.681 -2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.861 10.476 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.243 8.193 -4.486 1.00 0.00 H new ATOM 0 HH TYR A 39 9.696 9.983 -5.741 1.00 0.00 H new ATOM 626 N TYR A 40 9.552 7.356 0.405 1.00 0.00 N ATOM 627 CA TYR A 40 8.188 7.951 0.371 1.00 0.00 C ATOM 628 C TYR A 40 7.917 8.669 1.694 1.00 0.00 C ATOM 629 O TYR A 40 7.188 8.184 2.536 1.00 0.00 O ATOM 630 CB TYR A 40 7.154 6.842 0.168 1.00 0.00 C ATOM 631 CG TYR A 40 6.823 6.727 -1.300 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.018 7.695 -1.911 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.323 5.656 -2.050 1.00 0.00 C ATOM 634 CE1 TYR A 40 5.712 7.595 -3.273 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.017 5.556 -3.413 1.00 0.00 C ATOM 636 CZ TYR A 40 6.211 6.524 -4.024 1.00 0.00 C ATOM 637 OH TYR A 40 5.912 6.424 -5.368 1.00 0.00 O ATOM 0 H TYR A 40 9.595 6.388 0.723 1.00 0.00 H new ATOM 0 HA TYR A 40 8.119 8.664 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.544 5.894 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.252 7.062 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.632 8.520 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.944 4.908 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.092 8.343 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.403 4.731 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 40 6.516 5.778 -5.790 1.00 0.00 H new ATOM 647 N ARG A 41 8.504 9.819 1.888 1.00 0.00 N ATOM 648 CA ARG A 41 8.285 10.560 3.160 1.00 0.00 C ATOM 649 C ARG A 41 8.201 12.063 2.878 1.00 0.00 C ATOM 650 O ARG A 41 7.265 12.727 3.278 1.00 0.00 O ATOM 651 CB ARG A 41 9.450 10.287 4.112 1.00 0.00 C ATOM 652 CG ARG A 41 9.160 10.924 5.472 1.00 0.00 C ATOM 653 CD ARG A 41 10.354 10.702 6.401 1.00 0.00 C ATOM 654 NE ARG A 41 9.885 10.671 7.815 1.00 0.00 N ATOM 655 CZ ARG A 41 10.525 9.954 8.696 1.00 0.00 C ATOM 656 NH1 ARG A 41 11.761 10.243 9.001 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.930 8.947 9.274 1.00 0.00 N ATOM 0 H ARG A 41 9.125 10.276 1.220 1.00 0.00 H new ATOM 0 HA ARG A 41 7.352 10.227 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.596 9.213 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.374 10.692 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.971 11.991 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.261 10.487 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.853 9.766 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.086 11.499 6.267 1.00 0.00 H new ATOM 0 HE ARG A 41 9.065 11.210 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.227 11.030 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.261 9.681 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.964 8.721 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.431 8.386 9.963 1.00 0.00 H new ATOM 671 N THR A 42 9.176 12.607 2.202 1.00 0.00 N ATOM 672 CA THR A 42 9.152 14.068 1.906 1.00 0.00 C ATOM 673 C THR A 42 8.721 14.297 0.456 1.00 0.00 C ATOM 674 O THR A 42 9.130 15.247 -0.181 1.00 0.00 O ATOM 675 CB THR A 42 10.549 14.655 2.116 1.00 0.00 C ATOM 676 OG1 THR A 42 11.495 13.895 1.377 1.00 0.00 O ATOM 677 CG2 THR A 42 10.904 14.611 3.602 1.00 0.00 C ATOM 0 H THR A 42 9.987 12.104 1.842 1.00 0.00 H new ATOM 0 HA THR A 42 8.444 14.556 2.575 1.00 0.00 H new ATOM 0 HB THR A 42 10.565 15.689 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.391 14.270 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.899 15.029 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.177 15.194 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.889 13.578 3.949 1.00 0.00 H new ATOM 685 N ALA A 43 7.898 13.435 -0.070 1.00 0.00 N ATOM 686 CA ALA A 43 7.440 13.604 -1.477 1.00 0.00 C ATOM 687 C ALA A 43 6.106 12.880 -1.660 1.00 0.00 C ATOM 688 O ALA A 43 6.026 11.858 -2.314 1.00 0.00 O ATOM 689 CB ALA A 43 8.483 13.011 -2.427 1.00 0.00 C ATOM 0 H ALA A 43 7.522 12.620 0.414 1.00 0.00 H new ATOM 0 HA ALA A 43 7.313 14.664 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.149 13.134 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.434 13.526 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.610 11.950 -2.211 1.00 0.00 H new ATOM 695 N ASP A 44 5.060 13.398 -1.078 1.00 0.00 N ATOM 696 CA ASP A 44 3.731 12.737 -1.206 1.00 0.00 C ATOM 697 C ASP A 44 2.803 13.602 -2.063 1.00 0.00 C ATOM 698 O ASP A 44 1.599 13.448 -2.041 1.00 0.00 O ATOM 699 CB ASP A 44 3.121 12.554 0.186 1.00 0.00 C ATOM 700 CG ASP A 44 1.768 11.853 0.066 1.00 0.00 C ATOM 701 OD1 ASP A 44 1.473 11.360 -1.009 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.051 11.819 1.053 1.00 0.00 O ATOM 0 H ASP A 44 5.068 14.251 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 44 3.854 11.764 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.792 11.967 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.998 13.523 0.670 1.00 0.00 H new ATOM 707 N LYS A 45 3.354 14.512 -2.817 1.00 0.00 N ATOM 708 CA LYS A 45 2.504 15.386 -3.672 1.00 0.00 C ATOM 709 C LYS A 45 2.322 14.747 -5.052 1.00 0.00 C ATOM 710 O LYS A 45 1.775 15.350 -5.955 1.00 0.00 O ATOM 711 CB LYS A 45 3.178 16.749 -3.832 1.00 0.00 C ATOM 712 CG LYS A 45 4.631 16.549 -4.263 1.00 0.00 C ATOM 713 CD LYS A 45 5.209 17.878 -4.752 1.00 0.00 C ATOM 714 CE LYS A 45 6.729 17.758 -4.865 1.00 0.00 C ATOM 715 NZ LYS A 45 7.175 18.276 -6.191 1.00 0.00 N ATOM 0 H LYS A 45 4.357 14.688 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 45 1.529 15.509 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.646 17.345 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.138 17.299 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.220 16.170 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.686 15.803 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.781 18.140 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.946 18.678 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.209 18.320 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.031 16.717 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.209 18.194 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.728 17.722 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.900 19.275 -6.284 1.00 0.00 H new ATOM 729 N GLY A 46 2.782 13.538 -5.233 1.00 0.00 N ATOM 730 CA GLY A 46 2.635 12.886 -6.568 1.00 0.00 C ATOM 731 C GLY A 46 1.866 11.557 -6.461 1.00 0.00 C ATOM 732 O GLY A 46 0.952 11.304 -7.218 1.00 0.00 O ATOM 0 H GLY A 46 3.250 12.977 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.111 13.558 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.621 12.705 -6.997 1.00 0.00 H new ATOM 736 N TRP A 47 2.258 10.690 -5.567 1.00 0.00 N ATOM 737 CA TRP A 47 1.581 9.358 -5.454 1.00 0.00 C ATOM 738 C TRP A 47 0.321 9.392 -4.575 1.00 0.00 C ATOM 739 O TRP A 47 -0.498 8.504 -4.664 1.00 0.00 O ATOM 740 CB TRP A 47 2.567 8.354 -4.859 1.00 0.00 C ATOM 741 CG TRP A 47 2.716 8.585 -3.384 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.995 9.776 -2.797 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.602 7.619 -2.301 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.080 9.591 -1.430 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.846 8.283 -1.075 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.323 6.243 -2.264 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.815 7.607 0.142 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.291 5.560 -1.039 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.539 6.240 0.162 1.00 0.00 C ATOM 0 H TRP A 47 3.020 10.844 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 47 1.267 9.070 -6.457 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.217 7.338 -5.042 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.536 8.451 -5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.129 10.715 -3.313 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.291 10.335 -0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.132 5.708 -3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.003 8.137 1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.074 4.502 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.516 5.706 1.101 1.00 0.00 H new ATOM 760 N GLN A 48 0.168 10.361 -3.708 1.00 0.00 N ATOM 761 CA GLN A 48 -1.042 10.385 -2.811 1.00 0.00 C ATOM 762 C GLN A 48 -2.320 9.919 -3.552 1.00 0.00 C ATOM 763 O GLN A 48 -2.522 8.740 -3.760 1.00 0.00 O ATOM 764 CB GLN A 48 -1.256 11.784 -2.160 1.00 0.00 C ATOM 765 CG GLN A 48 -1.253 12.979 -3.157 1.00 0.00 C ATOM 766 CD GLN A 48 -0.566 12.633 -4.475 1.00 0.00 C ATOM 767 OE1 GLN A 48 0.620 12.819 -4.610 1.00 0.00 O ATOM 768 NE2 GLN A 48 -1.262 12.159 -5.467 1.00 0.00 N ATOM 0 H GLN A 48 0.820 11.134 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.847 9.674 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.206 11.778 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.474 11.947 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.280 13.286 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.748 13.830 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.264 12.000 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.806 11.946 -6.354 1.00 0.00 H new ATOM 777 N ASN A 49 -3.202 10.808 -3.922 1.00 0.00 N ATOM 778 CA ASN A 49 -4.451 10.375 -4.619 1.00 0.00 C ATOM 779 C ASN A 49 -4.113 9.732 -5.967 1.00 0.00 C ATOM 780 O ASN A 49 -4.970 9.184 -6.632 1.00 0.00 O ATOM 781 CB ASN A 49 -5.350 11.592 -4.851 1.00 0.00 C ATOM 782 CG ASN A 49 -4.708 12.508 -5.894 1.00 0.00 C ATOM 783 OD1 ASN A 49 -4.562 12.132 -7.041 1.00 0.00 O ATOM 784 ND2 ASN A 49 -4.317 13.703 -5.544 1.00 0.00 N ATOM 0 H ASN A 49 -3.114 11.813 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.967 9.644 -3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.335 11.271 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.496 12.133 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.889 14.322 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.440 14.018 -4.582 1.00 0.00 H new ATOM 791 N SER A 50 -2.878 9.789 -6.380 1.00 0.00 N ATOM 792 CA SER A 50 -2.505 9.176 -7.683 1.00 0.00 C ATOM 793 C SER A 50 -2.554 7.654 -7.558 1.00 0.00 C ATOM 794 O SER A 50 -2.738 6.952 -8.526 1.00 0.00 O ATOM 795 CB SER A 50 -1.093 9.611 -8.065 1.00 0.00 C ATOM 796 OG SER A 50 -0.925 9.493 -9.473 1.00 0.00 O ATOM 0 H SER A 50 -2.113 10.233 -5.872 1.00 0.00 H new ATOM 0 HA SER A 50 -3.204 9.501 -8.453 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.921 10.641 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.358 8.994 -7.547 1.00 0.00 H new ATOM 0 HG SER A 50 -0.051 9.094 -9.666 1.00 0.00 H new ATOM 802 N ILE A 51 -2.392 7.143 -6.368 1.00 0.00 N ATOM 803 CA ILE A 51 -2.431 5.666 -6.173 1.00 0.00 C ATOM 804 C ILE A 51 -3.863 5.166 -6.405 1.00 0.00 C ATOM 805 O ILE A 51 -4.098 4.295 -7.218 1.00 0.00 O ATOM 806 CB ILE A 51 -1.937 5.346 -4.745 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.660 4.518 -4.842 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.977 4.549 -3.942 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.313 5.173 -5.822 1.00 0.00 C ATOM 0 H ILE A 51 -2.234 7.687 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.780 5.158 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.761 6.291 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.197 4.432 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.897 3.507 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.588 4.346 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.897 5.128 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.184 3.607 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.223 4.576 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.150 5.236 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.561 6.175 -5.473 1.00 0.00 H new ATOM 821 N ARG A 52 -4.821 5.712 -5.704 1.00 0.00 N ATOM 822 CA ARG A 52 -6.227 5.264 -5.903 1.00 0.00 C ATOM 823 C ARG A 52 -6.594 5.447 -7.374 1.00 0.00 C ATOM 824 O ARG A 52 -7.294 4.646 -7.959 1.00 0.00 O ATOM 825 CB ARG A 52 -7.167 6.106 -5.035 1.00 0.00 C ATOM 826 CG ARG A 52 -8.616 5.872 -5.473 1.00 0.00 C ATOM 827 CD ARG A 52 -9.147 7.120 -6.183 1.00 0.00 C ATOM 828 NE ARG A 52 -10.431 6.796 -6.865 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.520 6.881 -8.164 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.119 5.890 -8.912 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.012 7.957 -8.714 1.00 0.00 N ATOM 0 H ARG A 52 -4.691 6.445 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.324 4.216 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.046 5.839 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.915 7.162 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.670 5.011 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.236 5.643 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.298 7.924 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.417 7.476 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.241 6.508 -6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.736 5.049 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.189 5.957 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.327 8.731 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.082 8.024 -9.729 1.00 0.00 H new ATOM 845 N HIS A 53 -6.114 6.500 -7.971 1.00 0.00 N ATOM 846 CA HIS A 53 -6.416 6.755 -9.405 1.00 0.00 C ATOM 847 C HIS A 53 -5.595 5.793 -10.265 1.00 0.00 C ATOM 848 O HIS A 53 -5.961 5.464 -11.376 1.00 0.00 O ATOM 849 CB HIS A 53 -6.038 8.197 -9.739 1.00 0.00 C ATOM 850 CG HIS A 53 -6.813 8.656 -10.943 1.00 0.00 C ATOM 851 ND1 HIS A 53 -6.390 9.709 -11.738 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.989 8.215 -11.499 1.00 0.00 C ATOM 853 CE1 HIS A 53 -7.297 9.866 -12.720 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.292 8.980 -12.622 1.00 0.00 N ATOM 0 H HIS A 53 -5.521 7.200 -7.524 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.477 6.601 -9.602 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.250 8.845 -8.889 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.968 8.267 -9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.588 7.399 -11.122 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.229 10.617 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.100 8.885 -13.237 1.00 0.00 H new ATOM 862 N ASN A 54 -4.489 5.334 -9.748 1.00 0.00 N ATOM 863 CA ASN A 54 -3.634 4.385 -10.513 1.00 0.00 C ATOM 864 C ASN A 54 -4.336 3.033 -10.585 1.00 0.00 C ATOM 865 O ASN A 54 -4.238 2.317 -11.562 1.00 0.00 O ATOM 866 CB ASN A 54 -2.295 4.210 -9.790 1.00 0.00 C ATOM 867 CG ASN A 54 -1.308 5.281 -10.257 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.090 5.450 -11.440 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.697 6.018 -9.369 1.00 0.00 N ATOM 0 H ASN A 54 -4.139 5.578 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.462 4.774 -11.517 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.441 4.283 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.890 3.218 -9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.037 6.735 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.880 5.876 -8.376 1.00 0.00 H new ATOM 876 N LEU A 55 -5.032 2.678 -9.542 1.00 0.00 N ATOM 877 CA LEU A 55 -5.733 1.370 -9.521 1.00 0.00 C ATOM 878 C LEU A 55 -6.888 1.379 -10.525 1.00 0.00 C ATOM 879 O LEU A 55 -7.424 0.346 -10.874 1.00 0.00 O ATOM 880 CB LEU A 55 -6.276 1.120 -8.117 1.00 0.00 C ATOM 881 CG LEU A 55 -5.159 1.316 -7.098 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.745 1.248 -5.688 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.119 0.211 -7.277 1.00 0.00 C ATOM 0 H LEU A 55 -5.145 3.242 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.035 0.579 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.099 1.803 -7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.675 0.108 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.687 2.287 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.949 1.388 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.492 2.032 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.212 0.275 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.317 0.345 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.590 -0.760 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.708 0.258 -8.285 1.00 0.00 H new ATOM 895 N SER A 56 -7.270 2.532 -10.999 1.00 0.00 N ATOM 896 CA SER A 56 -8.384 2.591 -11.986 1.00 0.00 C ATOM 897 C SER A 56 -7.808 2.396 -13.385 1.00 0.00 C ATOM 898 O SER A 56 -8.269 1.573 -14.151 1.00 0.00 O ATOM 899 CB SER A 56 -9.076 3.953 -11.902 1.00 0.00 C ATOM 900 OG SER A 56 -10.203 3.855 -11.043 1.00 0.00 O ATOM 0 H SER A 56 -6.861 3.432 -10.747 1.00 0.00 H new ATOM 0 HA SER A 56 -9.112 1.809 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.382 4.704 -11.525 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.388 4.277 -12.895 1.00 0.00 H new ATOM 0 HG SER A 56 -10.888 4.495 -11.328 1.00 0.00 H new ATOM 906 N LEU A 57 -6.797 3.147 -13.720 1.00 0.00 N ATOM 907 CA LEU A 57 -6.180 3.010 -15.064 1.00 0.00 C ATOM 908 C LEU A 57 -5.048 1.981 -15.009 1.00 0.00 C ATOM 909 O LEU A 57 -4.185 1.953 -15.863 1.00 0.00 O ATOM 910 CB LEU A 57 -5.621 4.364 -15.505 1.00 0.00 C ATOM 911 CG LEU A 57 -4.700 4.919 -14.417 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.297 5.121 -14.989 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.247 6.260 -13.924 1.00 0.00 C ATOM 0 H LEU A 57 -6.371 3.852 -13.118 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.934 2.676 -15.777 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.071 4.255 -16.440 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.437 5.061 -15.695 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.655 4.215 -13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.641 5.516 -14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.907 4.166 -15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.341 5.825 -15.820 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.592 6.657 -13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.292 6.963 -14.756 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.247 6.117 -13.516 1.00 0.00 H new ATOM 925 N ASN A 58 -5.039 1.132 -14.014 1.00 0.00 N ATOM 926 CA ASN A 58 -3.952 0.113 -13.928 1.00 0.00 C ATOM 927 C ASN A 58 -4.375 -1.155 -14.671 1.00 0.00 C ATOM 928 O ASN A 58 -5.522 -1.322 -15.037 1.00 0.00 O ATOM 929 CB ASN A 58 -3.646 -0.235 -12.468 1.00 0.00 C ATOM 930 CG ASN A 58 -2.352 0.459 -12.039 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.572 -0.092 -11.288 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.088 1.656 -12.489 1.00 0.00 N ATOM 0 H ASN A 58 -5.730 1.100 -13.264 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.054 0.529 -14.385 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.470 0.080 -11.828 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.548 -1.314 -12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.228 2.127 -12.210 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.742 2.120 -13.120 1.00 0.00 H new ATOM 939 N ARG A 59 -3.451 -2.045 -14.905 1.00 0.00 N ATOM 940 CA ARG A 59 -3.782 -3.300 -15.635 1.00 0.00 C ATOM 941 C ARG A 59 -4.179 -4.409 -14.650 1.00 0.00 C ATOM 942 O ARG A 59 -4.796 -5.384 -15.027 1.00 0.00 O ATOM 943 CB ARG A 59 -2.557 -3.743 -16.443 1.00 0.00 C ATOM 944 CG ARG A 59 -2.720 -5.202 -16.872 1.00 0.00 C ATOM 945 CD ARG A 59 -1.591 -5.579 -17.833 1.00 0.00 C ATOM 946 NE ARG A 59 -1.893 -5.044 -19.190 1.00 0.00 N ATOM 947 CZ ARG A 59 -1.300 -5.549 -20.237 1.00 0.00 C ATOM 948 NH1 ARG A 59 -0.009 -5.742 -20.226 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.998 -5.860 -21.295 1.00 0.00 N ATOM 0 H ARG A 59 -2.476 -1.956 -14.620 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.624 -3.114 -16.302 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.439 -3.107 -17.321 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.654 -3.629 -15.843 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.701 -5.854 -15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.687 -5.345 -17.355 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.644 -5.176 -17.474 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.481 -6.663 -17.874 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.563 -4.283 -19.301 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.536 -5.498 -19.399 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.455 -6.137 -21.044 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.007 -5.708 -21.303 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.535 -6.255 -22.114 1.00 0.00 H new ATOM 963 N TYR A 60 -3.817 -4.290 -13.401 1.00 0.00 N ATOM 964 CA TYR A 60 -4.172 -5.370 -12.432 1.00 0.00 C ATOM 965 C TYR A 60 -4.645 -4.784 -11.102 1.00 0.00 C ATOM 966 O TYR A 60 -4.088 -5.068 -10.065 1.00 0.00 O ATOM 967 CB TYR A 60 -2.947 -6.250 -12.166 1.00 0.00 C ATOM 968 CG TYR A 60 -1.677 -5.450 -12.360 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.529 -4.189 -11.764 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.648 -5.976 -13.143 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.347 -3.461 -11.961 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.531 -5.251 -13.337 1.00 0.00 C ATOM 973 CZ TYR A 60 0.682 -3.993 -12.747 1.00 0.00 C ATOM 974 OH TYR A 60 1.845 -3.277 -12.938 1.00 0.00 O ATOM 0 H TYR A 60 -3.298 -3.503 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.978 -5.959 -12.870 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.986 -6.643 -11.150 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.952 -7.107 -12.840 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.322 -3.780 -11.156 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.763 -6.947 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.230 -2.489 -11.506 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.325 -5.663 -13.942 1.00 0.00 H new ATOM 0 HH TYR A 60 2.455 -3.790 -13.507 1.00 0.00 H new ATOM 984 N PHE A 61 -5.674 -3.992 -11.104 1.00 0.00 N ATOM 985 CA PHE A 61 -6.157 -3.433 -9.812 1.00 0.00 C ATOM 986 C PHE A 61 -7.663 -3.209 -9.885 1.00 0.00 C ATOM 987 O PHE A 61 -8.140 -2.220 -10.404 1.00 0.00 O ATOM 988 CB PHE A 61 -5.432 -2.127 -9.513 1.00 0.00 C ATOM 989 CG PHE A 61 -4.048 -2.451 -9.000 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.884 -3.172 -7.810 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.925 -2.044 -9.722 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.602 -3.476 -7.352 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.647 -2.349 -9.266 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.481 -3.066 -8.079 1.00 0.00 C ATOM 0 H PHE A 61 -6.198 -3.708 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.947 -4.137 -9.006 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.368 -1.515 -10.413 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.984 -1.549 -8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.749 -3.492 -7.248 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.049 -1.489 -10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.475 -4.030 -6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.783 -2.031 -9.830 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.489 -3.303 -7.724 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.408 -4.143 -9.372 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.895 -4.029 -9.402 1.00 0.00 C ATOM 1006 C ILE A 62 -10.402 -3.444 -8.081 1.00 0.00 C ATOM 1007 O ILE A 62 -9.639 -3.180 -7.172 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.502 -5.420 -9.605 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.322 -6.243 -8.326 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.795 -6.122 -10.766 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.882 -7.651 -8.539 1.00 0.00 C ATOM 0 H ILE A 62 -8.050 -4.989 -8.929 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.189 -3.372 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.564 -5.325 -9.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.266 -6.297 -8.062 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.834 -5.759 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.227 -7.112 -10.910 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.920 -5.535 -11.676 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.733 -6.219 -10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.753 -8.235 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.943 -7.588 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.350 -8.134 -9.358 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.689 -3.244 -7.970 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.257 -2.682 -6.713 1.00 0.00 C ATOM 1025 C LYS A 63 -13.299 -3.652 -6.150 1.00 0.00 C ATOM 1026 O LYS A 63 -14.225 -4.045 -6.832 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.927 -1.339 -7.014 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.969 -0.196 -6.674 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.723 0.892 -5.909 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.815 0.506 -4.432 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.649 1.074 -3.698 1.00 0.00 N ATOM 0 H LYS A 63 -12.372 -3.447 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.459 -2.537 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.208 -1.290 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.845 -1.242 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.140 -0.569 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.541 0.217 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.210 1.848 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.722 1.019 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.745 0.880 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.830 -0.579 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.890 1.178 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.834 0.436 -3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.409 2.005 -4.095 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.160 -4.043 -4.912 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.150 -4.989 -4.317 1.00 0.00 C ATOM 1047 C VAL A 64 -15.244 -4.190 -3.593 1.00 0.00 C ATOM 1048 O VAL A 64 -14.963 -3.489 -2.642 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.449 -5.908 -3.313 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.737 -7.035 -4.063 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.425 -5.104 -2.510 1.00 0.00 C ATOM 0 H VAL A 64 -12.408 -3.750 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.595 -5.591 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.189 -6.333 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.238 -7.689 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.466 -7.610 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.999 -6.610 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.927 -5.760 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.686 -4.677 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.932 -4.302 -1.974 1.00 0.00 H new ATOM 1061 N PRO A 65 -16.460 -4.317 -4.065 1.00 0.00 N ATOM 1062 CA PRO A 65 -17.615 -3.612 -3.477 1.00 0.00 C ATOM 1063 C PRO A 65 -18.082 -4.323 -2.202 1.00 0.00 C ATOM 1064 O PRO A 65 -17.630 -5.404 -1.881 1.00 0.00 O ATOM 1065 CB PRO A 65 -18.682 -3.698 -4.570 1.00 0.00 C ATOM 1066 CG PRO A 65 -18.299 -4.903 -5.460 1.00 0.00 C ATOM 1067 CD PRO A 65 -16.801 -5.168 -5.222 1.00 0.00 C ATOM 0 HA PRO A 65 -17.389 -2.586 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -19.672 -3.835 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.714 -2.778 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.893 -5.780 -5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.492 -4.685 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.612 -6.221 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.207 -4.906 -6.097 1.00 0.00 H new ATOM 1075 N ARG A 66 -18.986 -3.723 -1.477 1.00 0.00 N ATOM 1076 CA ARG A 66 -19.485 -4.363 -0.226 1.00 0.00 C ATOM 1077 C ARG A 66 -21.012 -4.443 -0.269 1.00 0.00 C ATOM 1078 O ARG A 66 -21.583 -5.496 -0.472 1.00 0.00 O ATOM 1079 CB ARG A 66 -19.054 -3.528 0.983 1.00 0.00 C ATOM 1080 CG ARG A 66 -17.733 -4.069 1.530 1.00 0.00 C ATOM 1081 CD ARG A 66 -16.583 -3.626 0.625 1.00 0.00 C ATOM 1082 NE ARG A 66 -15.286 -4.012 1.247 1.00 0.00 N ATOM 1083 CZ ARG A 66 -15.018 -3.653 2.472 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -14.734 -2.409 2.741 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -15.036 -4.540 3.430 1.00 0.00 N ATOM 0 H ARG A 66 -19.401 -2.817 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.069 -5.367 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.940 -2.483 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.822 -3.564 1.756 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.572 -3.705 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.768 -5.157 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.680 -4.089 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.620 -2.547 0.474 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.607 -4.557 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.721 -1.716 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.525 -2.129 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.259 -5.513 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.827 -4.260 4.388 1.00 0.00 H new ATOM 1099 N SER A 67 -21.678 -3.338 -0.077 1.00 0.00 N ATOM 1100 CA SER A 67 -23.167 -3.352 -0.106 1.00 0.00 C ATOM 1101 C SER A 67 -23.652 -3.215 -1.549 1.00 0.00 C ATOM 1102 O SER A 67 -22.869 -3.206 -2.479 1.00 0.00 O ATOM 1103 CB SER A 67 -23.702 -2.184 0.722 1.00 0.00 C ATOM 1104 OG SER A 67 -22.847 -1.970 1.837 1.00 0.00 O ATOM 0 H SER A 67 -21.255 -2.426 0.099 1.00 0.00 H new ATOM 0 HA SER A 67 -23.529 -4.292 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 -23.754 -1.283 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 67 -24.715 -2.398 1.062 1.00 0.00 H new ATOM 0 HG SER A 67 -23.186 -1.220 2.370 1.00 0.00 H new ATOM 1110 N GLN A 68 -24.937 -3.109 -1.745 1.00 0.00 N ATOM 1111 CA GLN A 68 -25.468 -2.972 -3.130 1.00 0.00 C ATOM 1112 C GLN A 68 -26.130 -1.602 -3.288 1.00 0.00 C ATOM 1113 O GLN A 68 -27.078 -1.442 -4.030 1.00 0.00 O ATOM 1114 CB GLN A 68 -26.502 -4.068 -3.389 1.00 0.00 C ATOM 1115 CG GLN A 68 -25.814 -5.282 -4.018 1.00 0.00 C ATOM 1116 CD GLN A 68 -25.228 -4.889 -5.376 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -25.589 -3.872 -5.936 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -24.332 -5.658 -5.934 1.00 0.00 N ATOM 0 H GLN A 68 -25.641 -3.111 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 68 -24.650 -3.066 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -26.986 -4.354 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -27.283 -3.696 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -25.024 -5.647 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -26.529 -6.096 -4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -24.029 -6.511 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.935 -5.405 -6.839 1.00 0.00 H new ATOM 1127 N GLU A 69 -25.636 -0.611 -2.597 1.00 0.00 N ATOM 1128 CA GLU A 69 -26.239 0.747 -2.709 1.00 0.00 C ATOM 1129 C GLU A 69 -25.592 1.501 -3.872 1.00 0.00 C ATOM 1130 O GLU A 69 -26.252 2.201 -4.614 1.00 0.00 O ATOM 1131 CB GLU A 69 -26.007 1.520 -1.408 1.00 0.00 C ATOM 1132 CG GLU A 69 -27.121 2.553 -1.226 1.00 0.00 C ATOM 1133 CD GLU A 69 -26.824 3.414 0.004 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -26.001 3.006 0.806 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -27.428 4.468 0.123 1.00 0.00 O ATOM 0 H GLU A 69 -24.842 -0.683 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 69 -27.310 0.652 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.991 0.833 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -25.037 2.016 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.197 3.182 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.081 2.051 -1.108 1.00 0.00 H new ATOM 1142 N GLU A 70 -24.304 1.368 -4.036 1.00 0.00 N ATOM 1143 CA GLU A 70 -23.620 2.081 -5.151 1.00 0.00 C ATOM 1144 C GLU A 70 -23.590 1.181 -6.389 1.00 0.00 C ATOM 1145 O GLU A 70 -23.535 -0.027 -6.274 1.00 0.00 O ATOM 1146 CB GLU A 70 -22.188 2.425 -4.732 1.00 0.00 C ATOM 1147 CG GLU A 70 -22.219 3.278 -3.463 1.00 0.00 C ATOM 1148 CD GLU A 70 -21.093 4.311 -3.514 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -21.064 5.081 -4.460 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -20.277 4.314 -2.607 1.00 0.00 O ATOM 0 H GLU A 70 -23.697 0.798 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 70 -24.160 2.999 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -21.620 1.512 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.683 2.964 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.183 3.779 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.106 2.644 -2.583 1.00 0.00 H new ATOM 1157 N PRO A 71 -23.630 1.802 -7.539 1.00 0.00 N ATOM 1158 CA PRO A 71 -23.613 1.088 -8.828 1.00 0.00 C ATOM 1159 C PRO A 71 -22.193 0.624 -9.162 1.00 0.00 C ATOM 1160 O PRO A 71 -21.973 -0.508 -9.544 1.00 0.00 O ATOM 1161 CB PRO A 71 -24.097 2.142 -9.829 1.00 0.00 C ATOM 1162 CG PRO A 71 -23.821 3.519 -9.179 1.00 0.00 C ATOM 1163 CD PRO A 71 -23.696 3.274 -7.663 1.00 0.00 C ATOM 0 HA PRO A 71 -24.232 0.191 -8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -23.570 2.048 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -25.159 2.018 -10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -22.906 3.959 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -24.630 4.217 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -22.804 3.749 -7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -24.550 3.682 -7.122 1.00 0.00 H new ATOM 1171 N GLY A 72 -21.225 1.489 -9.017 1.00 0.00 N ATOM 1172 CA GLY A 72 -19.821 1.096 -9.324 1.00 0.00 C ATOM 1173 C GLY A 72 -18.866 1.896 -8.435 1.00 0.00 C ATOM 1174 O GLY A 72 -18.143 2.754 -8.900 1.00 0.00 O ATOM 0 H GLY A 72 -21.347 2.451 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.685 0.028 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -19.600 1.283 -10.375 1.00 0.00 H new ATOM 1178 N LYS A 73 -18.859 1.623 -7.159 1.00 0.00 N ATOM 1179 CA LYS A 73 -17.953 2.369 -6.241 1.00 0.00 C ATOM 1180 C LYS A 73 -17.994 1.727 -4.852 1.00 0.00 C ATOM 1181 O LYS A 73 -18.972 1.830 -4.139 1.00 0.00 O ATOM 1182 CB LYS A 73 -18.414 3.825 -6.144 1.00 0.00 C ATOM 1183 CG LYS A 73 -17.195 4.749 -6.178 1.00 0.00 C ATOM 1184 CD LYS A 73 -17.041 5.340 -7.581 1.00 0.00 C ATOM 1185 CE LYS A 73 -17.420 6.822 -7.555 1.00 0.00 C ATOM 1186 NZ LYS A 73 -16.917 7.484 -8.792 1.00 0.00 N ATOM 0 H LYS A 73 -19.442 0.915 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 73 -16.934 2.335 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.086 4.061 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.975 3.979 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.311 5.548 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.297 4.194 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.014 5.222 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.677 4.803 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.502 6.931 -7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.994 7.302 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.174 8.492 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.882 7.391 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.343 7.032 -9.626 1.00 0.00 H new ATOM 1200 N GLY A 74 -16.940 1.060 -4.464 1.00 0.00 N ATOM 1201 CA GLY A 74 -16.921 0.408 -3.123 1.00 0.00 C ATOM 1202 C GLY A 74 -16.017 1.204 -2.178 1.00 0.00 C ATOM 1203 O GLY A 74 -16.060 2.418 -2.139 1.00 0.00 O ATOM 0 H GLY A 74 -16.092 0.939 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.932 0.356 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.560 -0.617 -3.211 1.00 0.00 H new ATOM 1207 N SER A 75 -15.198 0.533 -1.415 1.00 0.00 N ATOM 1208 CA SER A 75 -14.296 1.257 -0.476 1.00 0.00 C ATOM 1209 C SER A 75 -13.069 0.395 -0.165 1.00 0.00 C ATOM 1210 O SER A 75 -12.418 0.571 0.846 1.00 0.00 O ATOM 1211 CB SER A 75 -15.047 1.563 0.820 1.00 0.00 C ATOM 1212 OG SER A 75 -15.467 0.344 1.418 1.00 0.00 O ATOM 0 H SER A 75 -15.115 -0.484 -1.401 1.00 0.00 H new ATOM 0 HA SER A 75 -13.971 2.189 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.403 2.115 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.910 2.196 0.613 1.00 0.00 H new ATOM 0 HG SER A 75 -15.947 0.536 2.250 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.743 -0.531 -1.024 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.552 -1.392 -0.770 1.00 0.00 C ATOM 1220 C PHE A 76 -10.872 -1.731 -2.098 1.00 0.00 C ATOM 1221 O PHE A 76 -11.493 -2.224 -3.019 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.981 -2.681 -0.069 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.959 -3.036 0.985 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.602 -3.111 0.645 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.365 -3.289 2.300 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.652 -3.439 1.620 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.415 -3.617 3.275 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.059 -3.692 2.934 1.00 0.00 C ATOM 0 H PHE A 76 -13.247 -0.729 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.852 -0.854 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.962 -2.552 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.071 -3.491 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.288 -2.916 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.411 -3.231 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.606 -3.497 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.728 -3.812 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.327 -3.945 3.686 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.602 -1.459 -2.202 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.868 -1.747 -3.469 1.00 0.00 C ATOM 1240 C TRP A 77 -8.353 -3.190 -3.475 1.00 0.00 C ATOM 1241 O TRP A 77 -8.210 -3.818 -2.444 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.689 -0.784 -3.589 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.130 0.435 -4.325 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.265 1.668 -3.787 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.500 0.555 -5.725 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.691 2.540 -4.771 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.850 1.899 -5.985 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.562 -0.367 -6.785 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.247 2.315 -7.255 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.960 0.049 -8.063 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.302 1.386 -8.296 1.00 0.00 C ATOM 0 H TRP A 77 -9.036 -1.047 -1.460 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.546 -1.617 -4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.322 -0.514 -2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.864 -1.263 -4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.072 1.929 -2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -8.866 3.533 -4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.302 -1.401 -6.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.510 3.347 -7.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.003 -0.666 -8.872 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.609 1.700 -9.283 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.074 -3.719 -4.639 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.570 -5.120 -4.730 1.00 0.00 C ATOM 1264 C ARG A 78 -6.883 -5.333 -6.086 1.00 0.00 C ATOM 1265 O ARG A 78 -7.217 -4.696 -7.062 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.750 -6.086 -4.603 1.00 0.00 C ATOM 1267 CG ARG A 78 -8.247 -7.462 -4.164 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.423 -8.439 -4.100 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.202 -9.542 -5.076 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.189 -10.331 -5.404 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.328 -9.825 -5.788 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.034 -11.625 -5.351 1.00 0.00 N ATOM 0 H ARG A 78 -8.174 -3.238 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.854 -5.303 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.469 -5.703 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.271 -6.166 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.495 -7.827 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.766 -7.391 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.520 -8.844 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.354 -7.920 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.279 -9.681 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.448 -8.813 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.099 -10.441 -6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.142 -12.020 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.805 -12.242 -5.607 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.935 -6.232 -6.156 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.240 -6.494 -7.456 1.00 0.00 C ATOM 1288 C ILE A 79 -5.725 -7.832 -8.013 1.00 0.00 C ATOM 1289 O ILE A 79 -6.131 -8.708 -7.274 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.725 -6.554 -7.230 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.012 -6.956 -8.524 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.410 -7.589 -6.163 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.871 -5.978 -8.805 1.00 0.00 C ATOM 0 H ILE A 79 -5.611 -6.797 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.464 -5.693 -8.161 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.382 -5.569 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.622 -7.970 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.717 -6.956 -9.355 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.333 -7.631 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.904 -7.313 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.767 -8.566 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.364 -6.265 -9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.273 -4.970 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.161 -6.000 -7.978 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.691 -8.007 -9.306 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.155 -9.299 -9.884 1.00 0.00 C ATOM 1307 C ASP A 80 -5.322 -10.439 -9.278 1.00 0.00 C ATOM 1308 O ASP A 80 -4.118 -10.323 -9.160 1.00 0.00 O ATOM 1309 CB ASP A 80 -5.968 -9.276 -11.402 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.323 -9.460 -12.088 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.174 -8.600 -11.919 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.489 -10.457 -12.772 1.00 0.00 O ATOM 0 H ASP A 80 -5.365 -7.317 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.210 -9.451 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.519 -8.332 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.284 -10.068 -11.707 1.00 0.00 H new ATOM 1317 N PRO A 81 -5.992 -11.498 -8.890 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.343 -12.666 -8.266 1.00 0.00 C ATOM 1319 C PRO A 81 -4.669 -13.553 -9.317 1.00 0.00 C ATOM 1320 O PRO A 81 -3.520 -13.923 -9.184 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.504 -13.408 -7.603 1.00 0.00 C ATOM 1322 CG PRO A 81 -7.787 -12.964 -8.344 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.455 -11.630 -9.037 1.00 0.00 C ATOM 0 HA PRO A 81 -4.557 -12.384 -7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.367 -14.487 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.565 -13.165 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.092 -13.714 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.615 -12.842 -7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.750 -11.642 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.979 -10.797 -8.568 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.378 -13.911 -10.350 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.774 -14.785 -11.394 1.00 0.00 C ATOM 1333 C ALA A 82 -3.636 -14.042 -12.090 1.00 0.00 C ATOM 1334 O ALA A 82 -2.837 -14.632 -12.790 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.840 -15.173 -12.420 1.00 0.00 C ATOM 0 H ALA A 82 -6.346 -13.638 -10.517 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.381 -15.687 -10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.395 -15.812 -13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.647 -15.710 -11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.239 -14.273 -12.888 1.00 0.00 H new ATOM 1341 N SER A 83 -3.536 -12.760 -11.887 1.00 0.00 N ATOM 1342 CA SER A 83 -2.432 -11.999 -12.519 1.00 0.00 C ATOM 1343 C SER A 83 -1.490 -11.538 -11.418 1.00 0.00 C ATOM 1344 O SER A 83 -0.444 -11.002 -11.680 1.00 0.00 O ATOM 1345 CB SER A 83 -2.988 -10.784 -13.263 1.00 0.00 C ATOM 1346 OG SER A 83 -3.092 -11.090 -14.648 1.00 0.00 O ATOM 0 H SER A 83 -4.172 -12.209 -11.311 1.00 0.00 H new ATOM 0 HA SER A 83 -1.905 -12.629 -13.235 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.966 -10.514 -12.864 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.335 -9.923 -13.117 1.00 0.00 H new ATOM 0 HG SER A 83 -3.450 -10.314 -15.128 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.859 -11.744 -10.183 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.988 -11.313 -9.062 1.00 0.00 C ATOM 1354 C GLU A 84 0.373 -11.991 -9.164 1.00 0.00 C ATOM 1355 O GLU A 84 1.394 -11.351 -9.046 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.648 -11.690 -7.734 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.820 -11.135 -6.574 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.246 -12.292 -5.756 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -0.975 -12.836 -4.943 1.00 0.00 O ATOM 1360 OE2 GLU A 84 0.913 -12.616 -5.956 1.00 0.00 O ATOM 0 H GLU A 84 -2.731 -12.195 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.850 -10.233 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.662 -11.291 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.728 -12.774 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.013 -10.510 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.441 -10.501 -5.941 1.00 0.00 H new ATOM 1367 N ALA A 85 0.404 -13.275 -9.378 1.00 0.00 N ATOM 1368 CA ALA A 85 1.719 -13.974 -9.474 1.00 0.00 C ATOM 1369 C ALA A 85 2.554 -13.364 -10.606 1.00 0.00 C ATOM 1370 O ALA A 85 3.756 -13.531 -10.655 1.00 0.00 O ATOM 1371 CB ALA A 85 1.490 -15.461 -9.745 1.00 0.00 C ATOM 0 H ALA A 85 -0.417 -13.870 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 85 2.257 -13.856 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.451 -15.970 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.908 -15.894 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.947 -15.581 -10.683 1.00 0.00 H new ATOM 1377 N LYS A 86 1.933 -12.659 -11.512 1.00 0.00 N ATOM 1378 CA LYS A 86 2.706 -12.043 -12.631 1.00 0.00 C ATOM 1379 C LYS A 86 3.117 -10.618 -12.248 1.00 0.00 C ATOM 1380 O LYS A 86 4.281 -10.271 -12.274 1.00 0.00 O ATOM 1381 CB LYS A 86 1.845 -12.007 -13.895 1.00 0.00 C ATOM 1382 CG LYS A 86 2.647 -11.381 -15.039 1.00 0.00 C ATOM 1383 CD LYS A 86 1.701 -11.005 -16.181 1.00 0.00 C ATOM 1384 CE LYS A 86 2.020 -9.589 -16.664 1.00 0.00 C ATOM 1385 NZ LYS A 86 2.811 -9.659 -17.925 1.00 0.00 N ATOM 0 H LYS A 86 0.928 -12.483 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 86 3.599 -12.638 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.533 -13.016 -14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.938 -11.430 -13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.176 -10.496 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.402 -12.082 -15.394 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.807 -11.713 -17.003 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.666 -11.061 -15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.097 -9.034 -16.832 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.581 -9.051 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.028 -8.696 -18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.698 -10.173 -17.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.260 -10.157 -18.653 1.00 0.00 H new ATOM 1399 N LEU A 87 2.172 -9.786 -11.896 1.00 0.00 N ATOM 1400 CA LEU A 87 2.513 -8.388 -11.516 1.00 0.00 C ATOM 1401 C LEU A 87 3.593 -8.410 -10.455 1.00 0.00 C ATOM 1402 O LEU A 87 4.640 -7.815 -10.599 1.00 0.00 O ATOM 1403 CB LEU A 87 1.284 -7.657 -10.954 1.00 0.00 C ATOM 1404 CG LEU A 87 0.337 -8.630 -10.236 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.130 -8.175 -8.793 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.022 -8.639 -10.945 1.00 0.00 C ATOM 0 H LEU A 87 1.179 -10.017 -11.856 1.00 0.00 H new ATOM 0 HA LEU A 87 2.860 -7.863 -12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.606 -6.880 -10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.752 -7.159 -11.765 1.00 0.00 H new ATOM 0 HG LEU A 87 0.774 -9.628 -10.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.542 -8.867 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.089 -8.157 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.305 -7.176 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.694 -9.330 -10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.449 -7.636 -10.926 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.891 -8.957 -11.979 1.00 0.00 H new ATOM 1418 N VAL A 88 3.338 -9.092 -9.391 1.00 0.00 N ATOM 1419 CA VAL A 88 4.329 -9.172 -8.301 1.00 0.00 C ATOM 1420 C VAL A 88 5.714 -9.475 -8.870 1.00 0.00 C ATOM 1421 O VAL A 88 6.719 -9.034 -8.352 1.00 0.00 O ATOM 1422 CB VAL A 88 3.932 -10.299 -7.387 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.615 -9.966 -6.685 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.772 -11.566 -8.226 1.00 0.00 C ATOM 0 H VAL A 88 2.473 -9.606 -9.226 1.00 0.00 H new ATOM 0 HA VAL A 88 4.360 -8.223 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 88 4.698 -10.449 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.336 -10.788 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.735 -9.055 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.833 -9.817 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.484 -12.396 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.001 -11.408 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.717 -11.799 -8.717 1.00 0.00 H new ATOM 1434 N GLU A 89 5.781 -10.233 -9.928 1.00 0.00 N ATOM 1435 CA GLU A 89 7.110 -10.563 -10.514 1.00 0.00 C ATOM 1436 C GLU A 89 7.848 -9.254 -10.778 1.00 0.00 C ATOM 1437 O GLU A 89 8.982 -9.074 -10.382 1.00 0.00 O ATOM 1438 CB GLU A 89 6.917 -11.323 -11.830 1.00 0.00 C ATOM 1439 CG GLU A 89 8.090 -12.281 -12.046 1.00 0.00 C ATOM 1440 CD GLU A 89 7.668 -13.393 -13.010 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.190 -13.069 -14.085 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.831 -14.549 -12.657 1.00 0.00 O ATOM 0 H GLU A 89 4.978 -10.637 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 89 7.683 -11.188 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.980 -11.879 -11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.850 -10.621 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.946 -11.740 -12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.404 -12.710 -11.094 1.00 0.00 H new ATOM 1449 N GLN A 90 7.197 -8.323 -11.416 1.00 0.00 N ATOM 1450 CA GLN A 90 7.843 -7.011 -11.673 1.00 0.00 C ATOM 1451 C GLN A 90 7.793 -6.191 -10.380 1.00 0.00 C ATOM 1452 O GLN A 90 8.493 -5.210 -10.223 1.00 0.00 O ATOM 1453 CB GLN A 90 7.082 -6.276 -12.781 1.00 0.00 C ATOM 1454 CG GLN A 90 8.070 -5.513 -13.665 1.00 0.00 C ATOM 1455 CD GLN A 90 7.607 -5.577 -15.122 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.384 -4.559 -15.746 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.453 -6.740 -15.693 1.00 0.00 N ATOM 0 H GLN A 90 6.245 -8.416 -11.770 1.00 0.00 H new ATOM 0 HA GLN A 90 8.877 -7.152 -11.988 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.517 -6.989 -13.382 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.361 -5.585 -12.344 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.139 -4.475 -13.340 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.067 -5.944 -13.570 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.640 -7.594 -15.168 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.145 -6.795 -16.664 1.00 0.00 H new ATOM 1466 N ALA A 91 6.966 -6.596 -9.448 1.00 0.00 N ATOM 1467 CA ALA A 91 6.859 -5.858 -8.159 1.00 0.00 C ATOM 1468 C ALA A 91 8.117 -6.104 -7.321 1.00 0.00 C ATOM 1469 O ALA A 91 8.982 -5.257 -7.229 1.00 0.00 O ATOM 1470 CB ALA A 91 5.619 -6.323 -7.395 1.00 0.00 C ATOM 0 H ALA A 91 6.358 -7.411 -9.529 1.00 0.00 H new ATOM 0 HA ALA A 91 6.768 -4.791 -8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.547 -5.779 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.729 -6.131 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.696 -7.391 -7.192 1.00 0.00 H new ATOM 1476 N PHE A 92 8.232 -7.253 -6.712 1.00 0.00 N ATOM 1477 CA PHE A 92 9.440 -7.542 -5.889 1.00 0.00 C ATOM 1478 C PHE A 92 10.691 -7.083 -6.644 1.00 0.00 C ATOM 1479 O PHE A 92 11.576 -6.468 -6.083 1.00 0.00 O ATOM 1480 CB PHE A 92 9.531 -9.047 -5.623 1.00 0.00 C ATOM 1481 CG PHE A 92 8.170 -9.577 -5.237 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.244 -8.738 -4.608 1.00 0.00 C ATOM 1483 CD2 PHE A 92 7.837 -10.909 -5.510 1.00 0.00 C ATOM 1484 CE1 PHE A 92 5.982 -9.231 -4.250 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.576 -11.402 -5.153 1.00 0.00 C ATOM 1486 CZ PHE A 92 5.649 -10.563 -4.522 1.00 0.00 C ATOM 0 H PHE A 92 7.542 -8.003 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 92 9.369 -7.010 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.894 -9.562 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.248 -9.243 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.502 -7.710 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.552 -11.556 -5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 92 5.267 -8.584 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.318 -12.429 -5.364 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.677 -10.944 -4.245 1.00 0.00 H new ATOM 1496 N ARG A 93 10.769 -7.376 -7.914 1.00 0.00 N ATOM 1497 CA ARG A 93 11.961 -6.956 -8.705 1.00 0.00 C ATOM 1498 C ARG A 93 11.959 -5.433 -8.851 1.00 0.00 C ATOM 1499 O ARG A 93 11.140 -4.748 -8.272 1.00 0.00 O ATOM 1500 CB ARG A 93 11.907 -7.600 -10.093 1.00 0.00 C ATOM 1501 CG ARG A 93 12.935 -8.730 -10.173 1.00 0.00 C ATOM 1502 CD ARG A 93 14.004 -8.377 -11.210 1.00 0.00 C ATOM 1503 NE ARG A 93 15.302 -8.130 -10.522 1.00 0.00 N ATOM 1504 CZ ARG A 93 16.403 -8.646 -10.998 1.00 0.00 C ATOM 1505 NH1 ARG A 93 16.998 -8.086 -12.016 1.00 0.00 N ATOM 1506 NH2 ARG A 93 16.907 -9.722 -10.458 1.00 0.00 N ATOM 0 H ARG A 93 10.059 -7.888 -8.438 1.00 0.00 H new ATOM 0 HA ARG A 93 12.869 -7.274 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.907 -7.989 -10.286 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.112 -6.853 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.397 -8.885 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.444 -9.664 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.110 -9.189 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.703 -7.492 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 93 15.331 -7.557 -9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.603 -7.246 -12.439 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.858 -8.488 -12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.441 -10.160 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 93 17.767 -10.125 -10.830 1.00 0.00 H new ATOM 1520 N LYS A 94 12.866 -4.897 -9.619 1.00 0.00 N ATOM 1521 CA LYS A 94 12.905 -3.418 -9.796 1.00 0.00 C ATOM 1522 C LYS A 94 12.257 -3.047 -11.130 1.00 0.00 C ATOM 1523 O LYS A 94 11.808 -3.897 -11.873 1.00 0.00 O ATOM 1524 CB LYS A 94 14.357 -2.937 -9.785 1.00 0.00 C ATOM 1525 CG LYS A 94 14.693 -2.363 -8.408 1.00 0.00 C ATOM 1526 CD LYS A 94 15.917 -3.082 -7.839 1.00 0.00 C ATOM 1527 CE LYS A 94 17.113 -2.128 -7.844 1.00 0.00 C ATOM 1528 NZ LYS A 94 17.544 -1.864 -6.442 1.00 0.00 N ATOM 0 H LYS A 94 13.580 -5.416 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 94 12.360 -2.942 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.027 -3.764 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.506 -2.178 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.890 -1.294 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.843 -2.482 -7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.713 -3.423 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.141 -3.968 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.935 -2.562 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.844 -1.193 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.357 -1.215 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.759 -1.433 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.817 -2.759 -5.988 1.00 0.00 H new ATOM 1542 N ARG A 95 12.201 -1.780 -11.437 1.00 0.00 N ATOM 1543 CA ARG A 95 11.579 -1.351 -12.721 1.00 0.00 C ATOM 1544 C ARG A 95 12.615 -1.426 -13.844 1.00 0.00 C ATOM 1545 O ARG A 95 13.151 -0.425 -14.276 1.00 0.00 O ATOM 1546 CB ARG A 95 11.077 0.088 -12.584 1.00 0.00 C ATOM 1547 CG ARG A 95 9.623 0.165 -13.051 1.00 0.00 C ATOM 1548 CD ARG A 95 9.376 1.514 -13.728 1.00 0.00 C ATOM 1549 NE ARG A 95 8.234 1.393 -14.679 1.00 0.00 N ATOM 1550 CZ ARG A 95 8.128 2.223 -15.680 1.00 0.00 C ATOM 1551 NH1 ARG A 95 8.968 2.155 -16.676 1.00 0.00 N ATOM 1552 NH2 ARG A 95 7.181 3.121 -15.685 1.00 0.00 N ATOM 0 H ARG A 95 12.559 -1.024 -10.854 1.00 0.00 H new ATOM 0 HA ARG A 95 10.743 -2.009 -12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.155 0.415 -11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.697 0.759 -13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.409 -0.647 -13.746 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.950 0.043 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.159 2.275 -12.978 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.272 1.836 -14.259 1.00 0.00 H new ATOM 0 HE ARG A 95 7.536 0.661 -14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.708 1.453 -16.672 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.885 2.804 -17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.524 3.174 -14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.098 3.770 -16.467 1.00 0.00 H new ATOM 1566 N ARG A 96 12.898 -2.606 -14.327 1.00 0.00 N ATOM 1567 CA ARG A 96 13.895 -2.741 -15.426 1.00 0.00 C ATOM 1568 C ARG A 96 13.164 -3.010 -16.743 1.00 0.00 C ATOM 1569 O ARG A 96 13.412 -3.992 -17.413 1.00 0.00 O ATOM 1570 CB ARG A 96 14.840 -3.906 -15.118 1.00 0.00 C ATOM 1571 CG ARG A 96 16.290 -3.432 -15.238 1.00 0.00 C ATOM 1572 CD ARG A 96 16.883 -3.933 -16.555 1.00 0.00 C ATOM 1573 NE ARG A 96 16.738 -2.878 -17.598 1.00 0.00 N ATOM 1574 CZ ARG A 96 16.934 -3.170 -18.855 1.00 0.00 C ATOM 1575 NH1 ARG A 96 17.895 -3.985 -19.195 1.00 0.00 N ATOM 1576 NH2 ARG A 96 16.168 -2.647 -19.774 1.00 0.00 N ATOM 0 H ARG A 96 12.482 -3.481 -14.008 1.00 0.00 H new ATOM 0 HA ARG A 96 14.472 -1.820 -15.511 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.652 -4.285 -14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.657 -4.729 -15.809 1.00 0.00 H new ATOM 0 HG2 ARG A 96 16.332 -2.344 -15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.876 -3.804 -14.398 1.00 0.00 H new ATOM 0 HD2 ARG A 96 17.935 -4.184 -16.420 1.00 0.00 H new ATOM 0 HD3 ARG A 96 16.376 -4.844 -16.871 1.00 0.00 H new ATOM 0 HE ARG A 96 16.485 -1.927 -17.329 1.00 0.00 H new ATOM 0 HH11 ARG A 96 18.494 -4.395 -18.478 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.047 -4.212 -20.178 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.416 -2.010 -19.510 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.321 -2.875 -20.756 1.00 0.00 H new ATOM 1590 N GLN A 97 12.263 -2.143 -17.118 1.00 0.00 N ATOM 1591 CA GLN A 97 11.515 -2.348 -18.391 1.00 0.00 C ATOM 1592 C GLN A 97 10.915 -1.017 -18.850 1.00 0.00 C ATOM 1593 O GLN A 97 10.639 -0.142 -18.052 1.00 0.00 O ATOM 1594 CB GLN A 97 10.393 -3.364 -18.165 1.00 0.00 C ATOM 1595 CG GLN A 97 10.812 -4.722 -18.731 1.00 0.00 C ATOM 1596 CD GLN A 97 10.176 -4.922 -20.108 1.00 0.00 C ATOM 1597 OE1 GLN A 97 10.487 -4.210 -21.043 1.00 0.00 O ATOM 1598 NE2 GLN A 97 9.294 -5.869 -20.274 1.00 0.00 N ATOM 0 H GLN A 97 12.013 -1.302 -16.598 1.00 0.00 H new ATOM 0 HA GLN A 97 12.195 -2.722 -19.156 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.178 -3.453 -17.100 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.477 -3.024 -18.648 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.898 -4.775 -18.810 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.502 -5.520 -18.056 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.033 -6.466 -19.489 1.00 0.00 H new ATOM 0 HE22 GLN A 97 8.865 -6.012 -21.188 1.00 0.00 H new ATOM 1607 N ARG A 98 10.708 -0.858 -20.128 1.00 0.00 N ATOM 1608 CA ARG A 98 10.125 0.417 -20.635 1.00 0.00 C ATOM 1609 C ARG A 98 8.605 0.274 -20.738 1.00 0.00 C ATOM 1610 O ARG A 98 8.092 -0.352 -21.645 1.00 0.00 O ATOM 1611 CB ARG A 98 10.704 0.731 -22.016 1.00 0.00 C ATOM 1612 CG ARG A 98 12.208 0.988 -21.893 1.00 0.00 C ATOM 1613 CD ARG A 98 12.519 2.420 -22.336 1.00 0.00 C ATOM 1614 NE ARG A 98 13.995 2.600 -22.429 1.00 0.00 N ATOM 1615 CZ ARG A 98 14.512 3.797 -22.371 1.00 0.00 C ATOM 1616 NH1 ARG A 98 13.834 4.822 -22.811 1.00 0.00 N ATOM 1617 NH2 ARG A 98 15.706 3.968 -21.875 1.00 0.00 N ATOM 0 H ARG A 98 10.917 -1.555 -20.843 1.00 0.00 H new ATOM 0 HA ARG A 98 10.369 1.228 -19.948 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.521 -0.101 -22.696 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.209 1.605 -22.440 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.531 0.836 -20.863 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.761 0.278 -22.508 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.055 2.622 -23.301 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.099 3.132 -21.625 1.00 0.00 H new ATOM 0 HE ARG A 98 14.602 1.787 -22.538 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.901 4.687 -23.200 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.237 5.758 -22.766 1.00 0.00 H new ATOM 0 HH21 ARG A 98 16.236 3.166 -21.533 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.110 4.903 -21.830 1.00 0.00 H new ATOM 1631 N GLY A 99 7.881 0.848 -19.817 1.00 0.00 N ATOM 1632 CA GLY A 99 6.396 0.743 -19.863 1.00 0.00 C ATOM 1633 C GLY A 99 5.855 1.654 -20.967 1.00 0.00 C ATOM 1634 O GLY A 99 6.392 1.713 -22.056 1.00 0.00 O ATOM 0 H GLY A 99 8.254 1.385 -19.034 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.099 -0.289 -20.050 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.970 1.028 -18.901 1.00 0.00 H new ATOM 1638 N VAL A 100 4.796 2.366 -20.696 1.00 0.00 N ATOM 1639 CA VAL A 100 4.224 3.273 -21.730 1.00 0.00 C ATOM 1640 C VAL A 100 4.477 4.727 -21.329 1.00 0.00 C ATOM 1641 O VAL A 100 4.789 5.564 -22.153 1.00 0.00 O ATOM 1642 CB VAL A 100 2.718 3.033 -21.845 1.00 0.00 C ATOM 1643 CG1 VAL A 100 2.058 3.274 -20.487 1.00 0.00 C ATOM 1644 CG2 VAL A 100 2.128 3.998 -22.877 1.00 0.00 C ATOM 0 H VAL A 100 4.302 2.359 -19.803 1.00 0.00 H new ATOM 0 HA VAL A 100 4.698 3.071 -22.690 1.00 0.00 H new ATOM 0 HB VAL A 100 2.536 2.005 -22.160 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.985 3.103 -20.569 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.480 2.589 -19.751 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.239 4.302 -20.172 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.054 3.829 -22.961 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.310 5.025 -22.561 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.599 3.828 -23.845 1.00 0.00 H new ATOM 1654 N SER A 101 4.346 5.036 -20.067 1.00 0.00 N ATOM 1655 CA SER A 101 4.580 6.436 -19.615 1.00 0.00 C ATOM 1656 C SER A 101 5.877 6.502 -18.806 1.00 0.00 C ATOM 1657 O SER A 101 6.871 5.972 -19.275 1.00 0.00 O ATOM 1658 CB SER A 101 3.412 6.893 -18.739 1.00 0.00 C ATOM 1659 OG SER A 101 2.189 6.466 -19.324 1.00 0.00 O ATOM 1660 OXT SER A 101 5.854 7.080 -17.733 1.00 0.00 O ATOM 0 H SER A 101 4.087 4.379 -19.331 1.00 0.00 H new ATOM 0 HA SER A 101 4.659 7.088 -20.485 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.512 6.479 -17.735 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.421 7.978 -18.639 1.00 0.00 H new ATOM 0 HG SER A 101 1.439 6.756 -18.763 1.00 0.00 H new TER 1666 SER A 101