USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 674 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 91 THR OG1 : rot 93:sc= 1.26 USER MOD Set 1.2: A 93 THR OG1 : rot 87:sc= 0.00407 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -11.3! C(o=-13!,f=-16!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -2.05! C(o=-19!,f=-13!) USER MOD Set 3.1: A 81 ASN : amide:sc= -12! C(o=-22!,f=-27!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -9.29! C(o=-32!,f=-22!) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.923! K(o=-22!,f=-24) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -14.8! C(o=-19!,f=-24!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -3.78! USER MOD Set 5.1: A 36 ASN : amide:sc= -5.57! C(o=-6.1!,f=-7.5!) USER MOD Set 5.2: A 38 TYR OH : rot 100:sc= -0.533 USER MOD Set 6.1: A 12 SER OG : rot 180:sc= -0.656! USER MOD Set 6.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 6 CYS SG : rot -35:sc= -23! USER MOD Set 7.2: A 9 ASN :FLIP amide:sc= -23.2! C(o=-96!,f=-92!) USER MOD Set 7.3: A 11 TYR OH : rot 35:sc= -7.57! USER MOD Set 7.4: A 103 CYS SG : rot 176:sc= -38.8! USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 8 SER OG : rot 62:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -19! C(o=-19!,f=-28!) USER MOD Single : A 24 TYR OH : rot 89:sc= -3.96! USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0.0719 (180deg=-0.052) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 62:sc= 1.03 USER MOD Single : A 40 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-7.5!) USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.109 (180deg=-0.664) USER MOD Single : A 42 TYR OH : rot 54:sc= -3.56! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.462 F(o=-2.1,f=-0.46) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.062 F(o=-0.62,f=-0.062) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 24:sc= 0.558 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00344 USER MOD Single : A 68 TYR OH : rot 0:sc= -5.26! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.3! C(o=-14!,f=-7.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -12.4! C(o=-19!,f=-12!) USER MOD Single : A 104 THR OG1 : rot -71:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -6.370 -14.463 -5.336 1.00 0.00 N ATOM 12 CA CYS A 2 -5.125 -13.731 -5.171 1.00 0.00 C ATOM 13 C CYS A 2 -4.675 -13.232 -6.546 1.00 0.00 C ATOM 14 O CYS A 2 -4.604 -14.007 -7.498 1.00 0.00 O ATOM 15 CB CYS A 2 -4.051 -14.585 -4.495 1.00 0.00 C ATOM 16 SG CYS A 2 -4.509 -16.340 -4.249 1.00 0.00 S ATOM 0 HA CYS A 2 -5.287 -12.879 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.142 -14.542 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.815 -14.146 -3.526 1.00 0.00 H new ATOM 21 N ASP A 3 -4.383 -11.941 -6.606 1.00 0.00 N ATOM 22 CA ASP A 3 -3.942 -11.330 -7.848 1.00 0.00 C ATOM 23 C ASP A 3 -2.660 -10.535 -7.593 1.00 0.00 C ATOM 24 O ASP A 3 -2.031 -10.048 -8.531 1.00 0.00 O ATOM 25 CB ASP A 3 -4.998 -10.365 -8.392 1.00 0.00 C ATOM 26 CG ASP A 3 -5.948 -10.963 -9.431 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.866 -11.697 -9.005 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.733 -10.675 -10.628 1.00 0.00 O ATOM 0 H ASP A 3 -4.443 -11.301 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.772 -12.125 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.588 -9.988 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.491 -9.508 -8.836 1.00 0.00 H new ATOM 33 N TYR A 4 -2.313 -10.427 -6.319 1.00 0.00 N ATOM 34 CA TYR A 4 -1.117 -9.700 -5.929 1.00 0.00 C ATOM 35 C TYR A 4 -0.300 -10.493 -4.907 1.00 0.00 C ATOM 36 O TYR A 4 -0.429 -10.278 -3.703 1.00 0.00 O ATOM 37 CB TYR A 4 -1.605 -8.404 -5.279 1.00 0.00 C ATOM 38 CG TYR A 4 -2.369 -7.479 -6.230 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.691 -6.786 -7.211 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.737 -7.340 -6.107 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.409 -5.916 -8.106 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.455 -6.471 -7.001 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.756 -5.801 -7.956 1.00 0.00 C ATOM 44 OH TYR A 4 -4.435 -4.980 -8.802 1.00 0.00 O ATOM 0 H TYR A 4 -2.839 -10.831 -5.544 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.479 -9.520 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.249 -8.653 -4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.747 -7.866 -4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.621 -6.896 -7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.268 -7.884 -5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.890 -5.368 -8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.525 -6.353 -6.916 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.394 -5.172 -8.745 1.00 0.00 H new ATOM 54 N THR A 5 0.521 -11.395 -5.425 1.00 0.00 N ATOM 55 CA THR A 5 1.358 -12.221 -4.572 1.00 0.00 C ATOM 56 C THR A 5 2.734 -11.578 -4.390 1.00 0.00 C ATOM 57 O THR A 5 3.567 -11.616 -5.296 1.00 0.00 O ATOM 58 CB THR A 5 1.418 -13.622 -5.183 1.00 0.00 C ATOM 59 OG1 THR A 5 0.239 -14.262 -4.702 1.00 0.00 O ATOM 60 CG2 THR A 5 2.560 -14.464 -4.609 1.00 0.00 C ATOM 0 H THR A 5 0.624 -11.572 -6.424 1.00 0.00 H new ATOM 0 HA THR A 5 0.939 -12.305 -3.569 1.00 0.00 H new ATOM 0 HB THR A 5 1.535 -13.541 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.356 -14.495 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.557 -15.448 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.511 -13.971 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.426 -14.573 -3.533 1.00 0.00 H new ATOM 68 N CYS A 6 2.933 -11.000 -3.214 1.00 0.00 N ATOM 69 CA CYS A 6 4.193 -10.350 -2.903 1.00 0.00 C ATOM 70 C CYS A 6 5.196 -11.425 -2.478 1.00 0.00 C ATOM 71 O CYS A 6 5.667 -11.426 -1.342 1.00 0.00 O ATOM 72 CB CYS A 6 4.024 -9.272 -1.830 1.00 0.00 C ATOM 73 SG CYS A 6 3.393 -7.669 -2.447 1.00 0.00 S ATOM 0 H CYS A 6 2.241 -10.969 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 6 4.567 -9.834 -3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.343 -9.644 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.987 -9.106 -1.347 1.00 0.00 H new ATOM 0 HG CYS A 6 3.870 -7.443 -3.635 1.00 0.00 H new ATOM 78 N GLY A 7 5.494 -12.314 -3.414 1.00 0.00 N ATOM 79 CA GLY A 7 6.433 -13.392 -3.151 1.00 0.00 C ATOM 80 C GLY A 7 5.834 -14.417 -2.185 1.00 0.00 C ATOM 81 O GLY A 7 5.803 -15.610 -2.481 1.00 0.00 O ATOM 0 H GLY A 7 5.102 -12.310 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.701 -13.882 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.352 -12.984 -2.730 1.00 0.00 H new ATOM 85 N SER A 8 5.374 -13.913 -1.049 1.00 0.00 N ATOM 86 CA SER A 8 4.779 -14.769 -0.038 1.00 0.00 C ATOM 87 C SER A 8 3.446 -14.180 0.429 1.00 0.00 C ATOM 88 O SER A 8 3.217 -14.024 1.627 1.00 0.00 O ATOM 89 CB SER A 8 5.722 -14.954 1.153 1.00 0.00 C ATOM 90 OG SER A 8 5.686 -13.840 2.040 1.00 0.00 O ATOM 0 H SER A 8 5.402 -12.923 -0.807 1.00 0.00 H new ATOM 0 HA SER A 8 4.601 -15.748 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.448 -15.859 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.740 -15.096 0.791 1.00 0.00 H new ATOM 0 HG SER A 8 4.782 -13.742 2.405 1.00 0.00 H new ATOM 96 N ASN A 9 2.601 -13.869 -0.543 1.00 0.00 N ATOM 97 CA ASN A 9 1.297 -13.300 -0.248 1.00 0.00 C ATOM 98 C ASN A 9 0.260 -13.887 -1.207 1.00 0.00 C ATOM 99 O ASN A 9 0.576 -14.767 -2.006 1.00 0.00 O ATOM 100 CB ASN A 9 1.304 -11.781 -0.431 1.00 0.00 C ATOM 101 CG ASN A 9 2.462 -11.141 0.336 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.665 -11.545 -0.064 1.00 0.00 O flip ATOM 103 ND2 ASN A 9 2.278 -10.335 1.233 1.00 0.00 N flip ATOM 0 H ASN A 9 2.794 -14.000 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 9 1.053 -13.537 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.388 -11.539 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.359 -11.365 -0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.328 -10.067 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.074 -9.929 1.725 1.00 0.00 H new ATOM 110 N CYS A 10 -0.958 -13.376 -1.097 1.00 0.00 N ATOM 111 CA CYS A 10 -2.043 -13.838 -1.945 1.00 0.00 C ATOM 112 C CYS A 10 -3.286 -13.002 -1.634 1.00 0.00 C ATOM 113 O CYS A 10 -4.304 -13.536 -1.196 1.00 0.00 O ATOM 114 CB CYS A 10 -2.303 -15.336 -1.765 1.00 0.00 C ATOM 115 SG CYS A 10 -2.596 -16.256 -3.319 1.00 0.00 S ATOM 0 H CYS A 10 -1.217 -12.646 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.771 -13.706 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.450 -15.780 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.168 -15.465 -1.114 1.00 0.00 H new ATOM 120 N TYR A 11 -3.161 -11.705 -1.872 1.00 0.00 N ATOM 121 CA TYR A 11 -4.262 -10.789 -1.621 1.00 0.00 C ATOM 122 C TYR A 11 -4.547 -9.925 -2.852 1.00 0.00 C ATOM 123 O TYR A 11 -3.885 -8.910 -3.068 1.00 0.00 O ATOM 124 CB TYR A 11 -3.808 -9.887 -0.473 1.00 0.00 C ATOM 125 CG TYR A 11 -2.305 -9.601 -0.463 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.646 -9.330 -1.646 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.607 -9.615 0.727 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.231 -9.060 -1.636 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.192 -9.346 0.737 1.00 0.00 C ATOM 130 CZ TYR A 11 0.425 -9.082 -0.446 1.00 0.00 C ATOM 131 OH TYR A 11 1.762 -8.828 -0.437 1.00 0.00 O ATOM 0 H TYR A 11 -2.315 -11.266 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.173 -11.339 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.347 -8.941 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.085 -10.353 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.191 -9.320 -2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.122 -9.828 1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.297 -8.845 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.366 -9.354 1.662 1.00 0.00 H new ATOM 0 HH TYR A 11 1.972 -8.154 -1.117 1.00 0.00 H new ATOM 141 N SER A 12 -5.530 -10.359 -3.626 1.00 0.00 N ATOM 142 CA SER A 12 -5.909 -9.638 -4.829 1.00 0.00 C ATOM 143 C SER A 12 -6.461 -8.259 -4.460 1.00 0.00 C ATOM 144 O SER A 12 -6.537 -7.912 -3.283 1.00 0.00 O ATOM 145 CB SER A 12 -6.942 -10.423 -5.639 1.00 0.00 C ATOM 146 OG SER A 12 -7.692 -9.580 -6.510 1.00 0.00 O ATOM 0 H SER A 12 -6.076 -11.201 -3.444 1.00 0.00 H new ATOM 0 HA SER A 12 -5.020 -9.514 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.436 -11.190 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.621 -10.937 -4.959 1.00 0.00 H new ATOM 0 HG SER A 12 -8.339 -10.120 -7.010 1.00 0.00 H new ATOM 152 N SER A 13 -6.830 -7.510 -5.490 1.00 0.00 N ATOM 153 CA SER A 13 -7.372 -6.177 -5.288 1.00 0.00 C ATOM 154 C SER A 13 -8.508 -6.224 -4.264 1.00 0.00 C ATOM 155 O SER A 13 -8.893 -5.193 -3.712 1.00 0.00 O ATOM 156 CB SER A 13 -7.869 -5.580 -6.607 1.00 0.00 C ATOM 157 OG SER A 13 -8.596 -6.528 -7.382 1.00 0.00 O ATOM 0 H SER A 13 -6.764 -7.801 -6.465 1.00 0.00 H new ATOM 0 HA SER A 13 -6.576 -5.537 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.504 -4.719 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.018 -5.217 -7.184 1.00 0.00 H new ATOM 0 HG SER A 13 -8.897 -6.108 -8.215 1.00 0.00 H new ATOM 163 N SER A 14 -9.014 -7.427 -4.043 1.00 0.00 N ATOM 164 CA SER A 14 -10.098 -7.621 -3.096 1.00 0.00 C ATOM 165 C SER A 14 -9.543 -7.701 -1.672 1.00 0.00 C ATOM 166 O SER A 14 -10.219 -7.326 -0.716 1.00 0.00 O ATOM 167 CB SER A 14 -10.899 -8.882 -3.425 1.00 0.00 C ATOM 168 OG SER A 14 -12.010 -9.053 -2.550 1.00 0.00 O ATOM 0 H SER A 14 -8.693 -8.278 -4.504 1.00 0.00 H new ATOM 0 HA SER A 14 -10.771 -6.767 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.253 -8.828 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.247 -9.753 -3.358 1.00 0.00 H new ATOM 0 HG SER A 14 -12.496 -9.868 -2.794 1.00 0.00 H new ATOM 174 N ASP A 15 -8.317 -8.195 -1.578 1.00 0.00 N ATOM 175 CA ASP A 15 -7.662 -8.330 -0.288 1.00 0.00 C ATOM 176 C ASP A 15 -7.045 -6.987 0.109 1.00 0.00 C ATOM 177 O ASP A 15 -7.147 -6.570 1.262 1.00 0.00 O ATOM 178 CB ASP A 15 -6.539 -9.368 -0.345 1.00 0.00 C ATOM 179 CG ASP A 15 -6.953 -10.790 0.032 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.881 -11.306 -0.628 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.333 -11.332 0.974 1.00 0.00 O ATOM 0 H ASP A 15 -7.760 -8.507 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.410 -8.649 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.128 -9.381 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.737 -9.050 0.322 1.00 0.00 H new ATOM 186 N VAL A 16 -6.419 -6.347 -0.868 1.00 0.00 N ATOM 187 CA VAL A 16 -5.786 -5.061 -0.634 1.00 0.00 C ATOM 188 C VAL A 16 -6.793 -4.113 0.019 1.00 0.00 C ATOM 189 O VAL A 16 -6.501 -3.507 1.049 1.00 0.00 O ATOM 190 CB VAL A 16 -5.214 -4.514 -1.944 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.676 -3.094 -1.757 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.132 -5.442 -2.500 1.00 0.00 C ATOM 0 H VAL A 16 -6.337 -6.695 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.947 -5.168 0.053 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.025 -4.472 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.275 -2.729 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.483 -2.439 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.886 -3.100 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.742 -5.030 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.322 -5.532 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.559 -6.427 -2.690 1.00 0.00 H new ATOM 202 N SER A 17 -7.957 -4.014 -0.604 1.00 0.00 N ATOM 203 CA SER A 17 -9.009 -3.151 -0.096 1.00 0.00 C ATOM 204 C SER A 17 -8.992 -3.153 1.434 1.00 0.00 C ATOM 205 O SER A 17 -8.902 -2.097 2.059 1.00 0.00 O ATOM 206 CB SER A 17 -10.380 -3.590 -0.613 1.00 0.00 C ATOM 207 OG SER A 17 -11.389 -2.622 -0.339 1.00 0.00 O ATOM 0 H SER A 17 -8.195 -4.518 -1.458 1.00 0.00 H new ATOM 0 HA SER A 17 -8.824 -2.138 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.324 -3.761 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.654 -4.539 -0.153 1.00 0.00 H new ATOM 0 HG SER A 17 -12.249 -2.939 -0.686 1.00 0.00 H new ATOM 213 N THR A 18 -9.083 -4.350 1.994 1.00 0.00 N ATOM 214 CA THR A 18 -9.080 -4.504 3.438 1.00 0.00 C ATOM 215 C THR A 18 -7.923 -3.716 4.056 1.00 0.00 C ATOM 216 O THR A 18 -8.123 -2.943 4.992 1.00 0.00 O ATOM 217 CB THR A 18 -9.035 -5.999 3.756 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.407 -6.378 3.841 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.482 -6.285 5.152 1.00 0.00 C ATOM 0 H THR A 18 -9.159 -5.223 1.473 1.00 0.00 H new ATOM 0 HA THR A 18 -9.987 -4.091 3.881 1.00 0.00 H new ATOM 0 HB THR A 18 -8.423 -6.509 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.470 -7.335 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.472 -7.361 5.326 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.467 -5.896 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.112 -5.803 5.899 1.00 0.00 H new ATOM 227 N ALA A 19 -6.738 -3.940 3.507 1.00 0.00 N ATOM 228 CA ALA A 19 -5.548 -3.262 3.992 1.00 0.00 C ATOM 229 C ALA A 19 -5.706 -1.754 3.784 1.00 0.00 C ATOM 230 O ALA A 19 -5.346 -0.963 4.654 1.00 0.00 O ATOM 231 CB ALA A 19 -4.315 -3.823 3.281 1.00 0.00 C ATOM 0 H ALA A 19 -6.577 -4.582 2.731 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.415 -3.436 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.422 -3.314 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.232 -4.891 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.411 -3.664 2.207 1.00 0.00 H new ATOM 237 N GLN A 20 -6.243 -1.402 2.625 1.00 0.00 N ATOM 238 CA GLN A 20 -6.453 -0.003 2.291 1.00 0.00 C ATOM 239 C GLN A 20 -7.386 0.652 3.311 1.00 0.00 C ATOM 240 O GLN A 20 -7.031 1.655 3.929 1.00 0.00 O ATOM 241 CB GLN A 20 -7.002 0.146 0.872 1.00 0.00 C ATOM 242 CG GLN A 20 -6.258 -0.771 -0.103 1.00 0.00 C ATOM 243 CD GLN A 20 -7.059 -0.966 -1.391 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.268 -2.072 -1.862 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.496 0.167 -1.935 1.00 0.00 N ATOM 0 H GLN A 20 -6.539 -2.061 1.905 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.490 0.507 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.065 -0.093 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.906 1.182 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.283 -0.344 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.077 -1.738 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.286 1.061 -1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.041 0.142 -2.797 1.00 0.00 H new ATOM 254 N ALA A 21 -8.561 0.058 3.458 1.00 0.00 N ATOM 255 CA ALA A 21 -9.549 0.571 4.393 1.00 0.00 C ATOM 256 C ALA A 21 -8.838 1.088 5.645 1.00 0.00 C ATOM 257 O ALA A 21 -9.271 2.068 6.249 1.00 0.00 O ATOM 258 CB ALA A 21 -10.568 -0.524 4.711 1.00 0.00 C ATOM 0 H ALA A 21 -8.852 -0.774 2.945 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.095 1.406 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.309 -0.139 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.065 -0.836 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.057 -1.378 5.155 1.00 0.00 H new ATOM 264 N ALA A 22 -7.759 0.405 5.998 1.00 0.00 N ATOM 265 CA ALA A 22 -6.985 0.783 7.168 1.00 0.00 C ATOM 266 C ALA A 22 -6.216 2.072 6.871 1.00 0.00 C ATOM 267 O ALA A 22 -6.348 3.058 7.595 1.00 0.00 O ATOM 268 CB ALA A 22 -6.058 -0.369 7.562 1.00 0.00 C ATOM 0 H ALA A 22 -7.403 -0.407 5.495 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.642 0.978 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.478 -0.085 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.653 -1.253 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.382 -0.591 6.736 1.00 0.00 H new ATOM 274 N GLY A 23 -5.430 2.023 5.806 1.00 0.00 N ATOM 275 CA GLY A 23 -4.641 3.175 5.405 1.00 0.00 C ATOM 276 C GLY A 23 -5.531 4.400 5.187 1.00 0.00 C ATOM 277 O GLY A 23 -5.179 5.508 5.589 1.00 0.00 O ATOM 0 H GLY A 23 -5.323 1.203 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.896 3.394 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.099 2.947 4.487 1.00 0.00 H new ATOM 281 N TYR A 24 -6.668 4.161 4.548 1.00 0.00 N ATOM 282 CA TYR A 24 -7.610 5.231 4.272 1.00 0.00 C ATOM 283 C TYR A 24 -8.231 5.762 5.565 1.00 0.00 C ATOM 284 O TYR A 24 -8.066 6.934 5.903 1.00 0.00 O ATOM 285 CB TYR A 24 -8.710 4.611 3.409 1.00 0.00 C ATOM 286 CG TYR A 24 -9.411 5.608 2.482 1.00 0.00 C ATOM 287 CD1 TYR A 24 -10.522 6.296 2.924 1.00 0.00 C ATOM 288 CD2 TYR A 24 -8.930 5.818 1.206 1.00 0.00 C ATOM 289 CE1 TYR A 24 -11.181 7.234 2.052 1.00 0.00 C ATOM 290 CE2 TYR A 24 -9.589 6.756 0.334 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.681 7.418 0.800 1.00 0.00 C ATOM 292 OH TYR A 24 -11.303 8.304 -0.024 1.00 0.00 O ATOM 0 H TYR A 24 -6.957 3.242 4.214 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.111 6.064 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.278 3.812 2.806 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.453 4.152 4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -10.897 6.131 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.060 5.279 0.861 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.052 7.779 2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.224 6.929 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.925 9.198 0.111 1.00 0.00 H new ATOM 302 N LYS A 25 -8.934 4.875 6.255 1.00 0.00 N ATOM 303 CA LYS A 25 -9.580 5.240 7.504 1.00 0.00 C ATOM 304 C LYS A 25 -8.665 6.178 8.293 1.00 0.00 C ATOM 305 O LYS A 25 -9.035 7.316 8.579 1.00 0.00 O ATOM 306 CB LYS A 25 -9.991 3.986 8.280 1.00 0.00 C ATOM 307 CG LYS A 25 -10.701 4.357 9.584 1.00 0.00 C ATOM 308 CD LYS A 25 -12.083 4.952 9.307 1.00 0.00 C ATOM 309 CE LYS A 25 -12.891 5.088 10.598 1.00 0.00 C ATOM 310 NZ LYS A 25 -12.255 6.066 11.508 1.00 0.00 N ATOM 0 H LYS A 25 -9.070 3.904 5.972 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.504 5.785 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.649 3.373 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.109 3.385 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.802 3.472 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.097 5.075 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.974 5.930 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.621 4.318 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.907 5.406 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.965 4.119 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.966 6.439 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.496 5.599 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.855 6.849 10.952 1.00 0.00 H new ATOM 324 N LEU A 26 -7.487 5.667 8.620 1.00 0.00 N ATOM 325 CA LEU A 26 -6.517 6.445 9.370 1.00 0.00 C ATOM 326 C LEU A 26 -6.158 7.705 8.579 1.00 0.00 C ATOM 327 O LEU A 26 -5.884 8.753 9.162 1.00 0.00 O ATOM 328 CB LEU A 26 -5.306 5.585 9.736 1.00 0.00 C ATOM 329 CG LEU A 26 -4.148 6.311 10.423 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.206 6.123 11.940 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.803 5.873 9.842 1.00 0.00 C ATOM 0 H LEU A 26 -7.183 4.724 8.379 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.944 6.773 10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.642 4.780 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.928 5.120 8.826 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.250 7.378 10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.372 6.649 12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.145 6.525 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.143 5.061 12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.997 6.405 10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.677 4.800 9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.775 6.102 8.777 1.00 0.00 H new ATOM 343 N HIS A 27 -6.173 7.562 7.261 1.00 0.00 N ATOM 344 CA HIS A 27 -5.854 8.674 6.383 1.00 0.00 C ATOM 345 C HIS A 27 -6.947 9.739 6.487 1.00 0.00 C ATOM 346 O HIS A 27 -6.658 10.909 6.732 1.00 0.00 O ATOM 347 CB HIS A 27 -5.632 8.189 4.950 1.00 0.00 C ATOM 348 CG HIS A 27 -5.536 9.301 3.933 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.572 10.293 3.994 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.293 9.568 2.830 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.751 11.113 2.969 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.818 10.663 2.250 1.00 0.00 N ATOM 0 H HIS A 27 -6.401 6.692 6.781 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.917 9.133 6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.716 7.599 4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.450 7.525 4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.136 8.987 2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.156 11.985 2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.190 11.097 1.405 1.00 0.00 H new ATOM 361 N GLU A 28 -8.180 9.296 6.292 1.00 0.00 N ATOM 362 CA GLU A 28 -9.319 10.197 6.359 1.00 0.00 C ATOM 363 C GLU A 28 -9.340 10.925 7.705 1.00 0.00 C ATOM 364 O GLU A 28 -9.862 12.034 7.807 1.00 0.00 O ATOM 365 CB GLU A 28 -10.629 9.443 6.124 1.00 0.00 C ATOM 366 CG GLU A 28 -10.377 7.943 5.959 1.00 0.00 C ATOM 367 CD GLU A 28 -11.695 7.169 5.895 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.746 7.824 6.064 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.622 5.940 5.677 1.00 0.00 O ATOM 0 H GLU A 28 -8.416 8.325 6.088 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.218 10.939 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.305 9.612 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.122 9.833 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.802 7.765 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.777 7.578 6.792 1.00 0.00 H new ATOM 376 N ASP A 29 -8.767 10.271 8.705 1.00 0.00 N ATOM 377 CA ASP A 29 -8.714 10.842 10.040 1.00 0.00 C ATOM 378 C ASP A 29 -7.455 11.701 10.172 1.00 0.00 C ATOM 379 O ASP A 29 -7.355 12.526 11.080 1.00 0.00 O ATOM 380 CB ASP A 29 -8.653 9.746 11.106 1.00 0.00 C ATOM 381 CG ASP A 29 -10.005 9.149 11.498 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.757 8.786 10.568 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.258 9.070 12.720 1.00 0.00 O ATOM 0 H ASP A 29 -8.335 9.351 8.617 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.614 11.439 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.010 8.944 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.181 10.155 11.999 1.00 0.00 H new ATOM 388 N GLY A 30 -6.527 11.480 9.254 1.00 0.00 N ATOM 389 CA GLY A 30 -5.279 12.224 9.256 1.00 0.00 C ATOM 390 C GLY A 30 -4.330 11.701 10.336 1.00 0.00 C ATOM 391 O GLY A 30 -3.426 12.412 10.773 1.00 0.00 O ATOM 0 H GLY A 30 -6.614 10.796 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.803 12.144 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.482 13.281 9.426 1.00 0.00 H new ATOM 395 N GLU A 31 -4.569 10.460 10.737 1.00 0.00 N ATOM 396 CA GLU A 31 -3.747 9.832 11.758 1.00 0.00 C ATOM 397 C GLU A 31 -2.688 8.936 11.111 1.00 0.00 C ATOM 398 O GLU A 31 -2.676 8.765 9.894 1.00 0.00 O ATOM 399 CB GLU A 31 -4.608 9.040 12.744 1.00 0.00 C ATOM 400 CG GLU A 31 -5.372 9.977 13.682 1.00 0.00 C ATOM 401 CD GLU A 31 -4.428 10.627 14.696 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.572 9.888 15.228 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.585 11.847 14.917 1.00 0.00 O ATOM 0 H GLU A 31 -5.320 9.873 10.373 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.237 10.615 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.313 8.415 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.976 8.371 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.874 10.750 13.100 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.147 9.419 14.207 1.00 0.00 H new ATOM 410 N THR A 32 -1.827 8.388 11.955 1.00 0.00 N ATOM 411 CA THR A 32 -0.768 7.514 11.481 1.00 0.00 C ATOM 412 C THR A 32 -0.757 6.208 12.278 1.00 0.00 C ATOM 413 O THR A 32 -1.473 6.075 13.269 1.00 0.00 O ATOM 414 CB THR A 32 0.552 8.285 11.560 1.00 0.00 C ATOM 415 OG1 THR A 32 0.567 8.812 12.883 1.00 0.00 O ATOM 416 CG2 THR A 32 0.560 9.524 10.664 1.00 0.00 C ATOM 0 H THR A 32 -1.841 8.532 12.965 1.00 0.00 H new ATOM 0 HA THR A 32 -0.930 7.223 10.443 1.00 0.00 H new ATOM 0 HB THR A 32 1.374 7.628 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.390 9.326 13.021 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.519 10.034 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.408 9.224 9.627 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.241 10.198 10.968 1.00 0.00 H new ATOM 424 N VAL A 33 0.061 5.276 11.814 1.00 0.00 N ATOM 425 CA VAL A 33 0.175 3.985 12.470 1.00 0.00 C ATOM 426 C VAL A 33 1.643 3.714 12.803 1.00 0.00 C ATOM 427 O VAL A 33 2.521 3.919 11.967 1.00 0.00 O ATOM 428 CB VAL A 33 -0.450 2.896 11.596 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.758 3.382 10.966 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.532 2.423 10.522 1.00 0.00 C ATOM 0 H VAL A 33 0.652 5.389 10.990 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.377 3.985 13.410 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.682 2.045 12.237 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.182 2.589 10.350 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.464 3.647 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.560 4.257 10.346 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.062 1.649 9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.809 3.264 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.425 2.018 10.998 1.00 0.00 H new ATOM 440 N GLY A 34 1.865 3.256 14.027 1.00 0.00 N ATOM 441 CA GLY A 34 3.211 2.955 14.481 1.00 0.00 C ATOM 442 C GLY A 34 3.983 4.237 14.799 1.00 0.00 C ATOM 443 O GLY A 34 3.384 5.266 15.107 1.00 0.00 O ATOM 0 H GLY A 34 1.134 3.086 14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.166 2.324 15.368 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.739 2.389 13.714 1.00 0.00 H new ATOM 447 N SER A 35 5.301 4.134 14.712 1.00 0.00 N ATOM 448 CA SER A 35 6.161 5.273 14.987 1.00 0.00 C ATOM 449 C SER A 35 6.454 6.031 13.690 1.00 0.00 C ATOM 450 O SER A 35 6.925 7.167 13.725 1.00 0.00 O ATOM 451 CB SER A 35 7.467 4.830 15.649 1.00 0.00 C ATOM 452 OG SER A 35 7.920 5.773 16.617 1.00 0.00 O ATOM 0 H SER A 35 5.795 3.279 14.455 1.00 0.00 H new ATOM 0 HA SER A 35 5.641 5.935 15.679 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.321 3.861 16.127 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.234 4.697 14.886 1.00 0.00 H new ATOM 0 HG SER A 35 8.755 5.454 17.019 1.00 0.00 H new ATOM 458 N ASN A 36 6.162 5.373 12.578 1.00 0.00 N ATOM 459 CA ASN A 36 6.388 5.971 11.273 1.00 0.00 C ATOM 460 C ASN A 36 5.257 6.954 10.965 1.00 0.00 C ATOM 461 O ASN A 36 4.586 7.439 11.875 1.00 0.00 O ATOM 462 CB ASN A 36 6.402 4.907 10.175 1.00 0.00 C ATOM 463 CG ASN A 36 7.822 4.672 9.655 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.779 5.298 10.083 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.906 3.738 8.713 1.00 0.00 N ATOM 0 H ASN A 36 5.771 4.431 12.554 1.00 0.00 H new ATOM 0 HA ASN A 36 7.353 6.477 11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.994 3.974 10.563 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.757 5.219 9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.811 3.507 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.066 3.252 8.400 1.00 0.00 H new ATOM 472 N SER A 37 5.082 7.220 9.679 1.00 0.00 N ATOM 473 CA SER A 37 4.044 8.137 9.239 1.00 0.00 C ATOM 474 C SER A 37 3.198 7.483 8.144 1.00 0.00 C ATOM 475 O SER A 37 3.015 8.055 7.071 1.00 0.00 O ATOM 476 CB SER A 37 4.647 9.448 8.732 1.00 0.00 C ATOM 477 OG SER A 37 5.193 9.314 7.423 1.00 0.00 O ATOM 0 H SER A 37 5.641 6.817 8.928 1.00 0.00 H new ATOM 0 HA SER A 37 3.407 8.368 10.093 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.879 10.222 8.727 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.427 9.777 9.418 1.00 0.00 H new ATOM 0 HG SER A 37 4.481 9.071 6.795 1.00 0.00 H new ATOM 483 N TYR A 38 2.704 6.293 8.454 1.00 0.00 N ATOM 484 CA TYR A 38 1.882 5.556 7.510 1.00 0.00 C ATOM 485 C TYR A 38 0.405 5.615 7.906 1.00 0.00 C ATOM 486 O TYR A 38 0.074 5.580 9.090 1.00 0.00 O ATOM 487 CB TYR A 38 2.358 4.103 7.580 1.00 0.00 C ATOM 488 CG TYR A 38 3.768 3.884 7.029 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.798 4.718 7.415 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.011 2.853 6.145 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.126 4.511 6.896 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.339 2.645 5.626 1.00 0.00 C ATOM 493 CZ TYR A 38 6.330 3.486 6.027 1.00 0.00 C ATOM 494 OH TYR A 38 7.583 3.290 5.537 1.00 0.00 O ATOM 0 H TYR A 38 2.857 5.821 9.345 1.00 0.00 H new ATOM 0 HA TYR A 38 1.975 5.979 6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.329 3.771 8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.660 3.476 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.608 5.526 8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.205 2.201 5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.941 5.156 7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.543 1.840 4.935 1.00 0.00 H new ATOM 0 HH TYR A 38 8.018 2.564 6.032 1.00 0.00 H new ATOM 504 N PRO A 39 -0.466 5.705 6.865 1.00 0.00 N ATOM 505 CA PRO A 39 0.009 5.742 5.492 1.00 0.00 C ATOM 506 C PRO A 39 0.608 7.108 5.155 1.00 0.00 C ATOM 507 O PRO A 39 0.862 7.916 6.047 1.00 0.00 O ATOM 508 CB PRO A 39 -1.207 5.401 4.647 1.00 0.00 C ATOM 509 CG PRO A 39 -2.416 5.644 5.536 1.00 0.00 C ATOM 510 CD PRO A 39 -1.921 5.776 6.968 1.00 0.00 C ATOM 0 HA PRO A 39 0.817 5.035 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.248 6.024 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.171 4.364 4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.941 6.548 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.124 4.820 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.241 6.718 7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.313 4.977 7.598 1.00 0.00 H new ATOM 518 N HIS A 40 0.818 7.324 3.866 1.00 0.00 N ATOM 519 CA HIS A 40 1.384 8.579 3.399 1.00 0.00 C ATOM 520 C HIS A 40 1.498 8.555 1.873 1.00 0.00 C ATOM 521 O HIS A 40 1.422 7.492 1.259 1.00 0.00 O ATOM 522 CB HIS A 40 2.719 8.864 4.089 1.00 0.00 C ATOM 523 CG HIS A 40 3.827 7.915 3.698 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.513 8.016 2.500 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.362 6.848 4.359 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.416 7.048 2.452 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.320 6.325 3.606 1.00 0.00 N ATOM 0 H HIS A 40 0.607 6.651 3.129 1.00 0.00 H new ATOM 0 HA HIS A 40 0.721 9.402 3.666 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.027 9.883 3.854 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.576 8.815 5.168 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.351 8.717 1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.057 6.490 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.107 6.863 1.642 1.00 0.00 H new ATOM 536 N LYS A 41 1.680 9.738 1.307 1.00 0.00 N ATOM 537 CA LYS A 41 1.806 9.867 -0.135 1.00 0.00 C ATOM 538 C LYS A 41 2.838 8.858 -0.644 1.00 0.00 C ATOM 539 O LYS A 41 3.720 8.437 0.103 1.00 0.00 O ATOM 540 CB LYS A 41 2.120 11.314 -0.519 1.00 0.00 C ATOM 541 CG LYS A 41 2.144 11.485 -2.040 1.00 0.00 C ATOM 542 CD LYS A 41 3.554 11.269 -2.593 1.00 0.00 C ATOM 543 CE LYS A 41 4.418 12.516 -2.393 1.00 0.00 C ATOM 544 NZ LYS A 41 3.880 13.650 -3.178 1.00 0.00 N ATOM 0 H LYS A 41 1.743 10.617 1.821 1.00 0.00 H new ATOM 0 HA LYS A 41 0.860 9.631 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.373 11.979 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.084 11.604 -0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.456 10.776 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.795 12.484 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.017 10.417 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.499 11.026 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.448 12.779 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.443 12.308 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.649 14.315 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.465 13.294 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.148 14.139 -2.624 1.00 0.00 H new ATOM 558 N TYR A 42 2.695 8.501 -1.912 1.00 0.00 N ATOM 559 CA TYR A 42 3.603 7.550 -2.529 1.00 0.00 C ATOM 560 C TYR A 42 3.774 7.843 -4.020 1.00 0.00 C ATOM 561 O TYR A 42 4.851 7.640 -4.578 1.00 0.00 O ATOM 562 CB TYR A 42 2.951 6.175 -2.363 1.00 0.00 C ATOM 563 CG TYR A 42 3.561 5.087 -3.249 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.371 5.122 -4.616 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.302 4.069 -2.681 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.946 4.097 -5.449 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.875 3.045 -3.515 1.00 0.00 C ATOM 568 CZ TYR A 42 4.669 3.109 -4.857 1.00 0.00 C ATOM 569 OH TYR A 42 5.211 2.142 -5.645 1.00 0.00 O ATOM 0 H TYR A 42 1.963 8.854 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 42 4.588 7.604 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.033 5.869 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.888 6.259 -2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.792 5.918 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.451 4.041 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.806 4.113 -6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.456 2.243 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 42 5.756 2.558 -6.346 1.00 0.00 H new ATOM 579 N ASN A 43 2.694 8.317 -4.625 1.00 0.00 N ATOM 580 CA ASN A 43 2.711 8.641 -6.042 1.00 0.00 C ATOM 581 C ASN A 43 3.191 7.423 -6.834 1.00 0.00 C ATOM 582 O ASN A 43 2.404 6.531 -7.146 1.00 0.00 O ATOM 583 CB ASN A 43 3.669 9.799 -6.330 1.00 0.00 C ATOM 584 CG ASN A 43 2.924 11.135 -6.344 1.00 0.00 C ATOM 585 OD1 ASN A 43 1.947 11.219 -5.445 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.217 12.031 -7.120 1.00 0.00 N flip ATOM 0 H ASN A 43 1.802 8.484 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 43 1.701 8.926 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.453 9.824 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.158 9.641 -7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.979 11.901 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.700 12.910 -7.103 1.00 0.00 H new ATOM 593 N ASN A 44 4.481 7.423 -7.135 1.00 0.00 N ATOM 594 CA ASN A 44 5.076 6.329 -7.884 1.00 0.00 C ATOM 595 C ASN A 44 6.303 6.841 -8.640 1.00 0.00 C ATOM 596 O ASN A 44 6.545 8.047 -8.693 1.00 0.00 O ATOM 597 CB ASN A 44 4.090 5.765 -8.910 1.00 0.00 C ATOM 598 CG ASN A 44 4.015 6.660 -10.148 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.834 6.295 -11.130 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 3.263 7.619 -10.208 1.00 0.00 N flip ATOM 0 H ASN A 44 5.132 8.164 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 44 5.350 5.546 -7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.397 4.761 -9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.101 5.678 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.660 7.844 -9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.238 8.195 -11.049 1.00 0.00 H new ATOM 607 N TYR A 45 7.046 5.901 -9.206 1.00 0.00 N ATOM 608 CA TYR A 45 8.241 6.243 -9.956 1.00 0.00 C ATOM 609 C TYR A 45 8.953 4.984 -10.456 1.00 0.00 C ATOM 610 O TYR A 45 9.327 4.901 -11.625 1.00 0.00 O ATOM 611 CB TYR A 45 9.159 6.978 -8.977 1.00 0.00 C ATOM 612 CG TYR A 45 9.087 8.502 -9.080 1.00 0.00 C ATOM 613 CD1 TYR A 45 8.207 9.092 -9.965 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.902 9.286 -8.290 1.00 0.00 C ATOM 615 CE1 TYR A 45 8.139 10.528 -10.063 1.00 0.00 C ATOM 616 CE2 TYR A 45 9.834 10.722 -8.388 1.00 0.00 C ATOM 617 CZ TYR A 45 8.957 11.271 -9.270 1.00 0.00 C ATOM 618 OH TYR A 45 8.893 12.627 -9.362 1.00 0.00 O ATOM 0 H TYR A 45 6.843 4.903 -9.160 1.00 0.00 H new ATOM 0 HA TYR A 45 7.987 6.849 -10.826 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.901 6.680 -7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.187 6.661 -9.151 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.570 8.478 -10.584 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.591 8.824 -7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.455 11.003 -10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.465 11.348 -7.775 1.00 0.00 H new ATOM 0 HH TYR A 45 9.532 13.028 -8.737 1.00 0.00 H new ATOM 628 N GLU A 46 9.119 4.035 -9.546 1.00 0.00 N ATOM 629 CA GLU A 46 9.779 2.785 -9.879 1.00 0.00 C ATOM 630 C GLU A 46 9.233 2.232 -11.198 1.00 0.00 C ATOM 631 O GLU A 46 9.863 1.385 -11.829 1.00 0.00 O ATOM 632 CB GLU A 46 9.623 1.764 -8.750 1.00 0.00 C ATOM 633 CG GLU A 46 10.244 2.284 -7.452 1.00 0.00 C ATOM 634 CD GLU A 46 11.124 1.217 -6.798 1.00 0.00 C ATOM 635 OE1 GLU A 46 11.386 0.202 -7.480 1.00 0.00 O ATOM 636 OE2 GLU A 46 11.515 1.439 -5.633 1.00 0.00 O ATOM 0 H GLU A 46 8.807 4.107 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 46 10.844 2.981 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.566 1.550 -8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.099 0.826 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.839 3.173 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.455 2.583 -6.762 1.00 0.00 H new ATOM 643 N GLY A 47 8.066 2.734 -11.574 1.00 0.00 N ATOM 644 CA GLY A 47 7.428 2.301 -12.806 1.00 0.00 C ATOM 645 C GLY A 47 6.136 1.534 -12.514 1.00 0.00 C ATOM 646 O GLY A 47 5.966 0.402 -12.963 1.00 0.00 O ATOM 0 H GLY A 47 7.546 3.436 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.208 3.167 -13.430 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.112 1.667 -13.371 1.00 0.00 H new ATOM 650 N PHE A 48 5.257 2.184 -11.764 1.00 0.00 N ATOM 651 CA PHE A 48 3.986 1.578 -11.407 1.00 0.00 C ATOM 652 C PHE A 48 2.853 2.126 -12.279 1.00 0.00 C ATOM 653 O PHE A 48 2.758 3.333 -12.492 1.00 0.00 O ATOM 654 CB PHE A 48 3.711 1.944 -9.947 1.00 0.00 C ATOM 655 CG PHE A 48 4.669 1.287 -8.951 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.488 -0.012 -8.589 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.700 2.001 -8.427 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.376 -0.622 -7.664 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.589 1.392 -7.502 1.00 0.00 C ATOM 660 CZ PHE A 48 6.409 0.093 -7.140 1.00 0.00 C ATOM 0 H PHE A 48 5.401 3.124 -11.394 1.00 0.00 H new ATOM 0 HA PHE A 48 4.034 0.499 -11.555 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.774 3.027 -9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.690 1.657 -9.697 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.669 -0.579 -9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.843 3.032 -8.714 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.232 -1.653 -7.376 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.408 1.960 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.085 -0.371 -6.437 1.00 0.00 H new ATOM 670 N ASP A 49 2.025 1.210 -12.760 1.00 0.00 N ATOM 671 CA ASP A 49 0.903 1.587 -13.603 1.00 0.00 C ATOM 672 C ASP A 49 -0.353 1.729 -12.741 1.00 0.00 C ATOM 673 O ASP A 49 -1.296 0.950 -12.878 1.00 0.00 O ATOM 674 CB ASP A 49 0.630 0.518 -14.664 1.00 0.00 C ATOM 675 CG ASP A 49 1.858 -0.276 -15.113 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.890 0.377 -15.379 1.00 0.00 O ATOM 677 OD2 ASP A 49 1.736 -1.518 -15.181 1.00 0.00 O ATOM 0 H ASP A 49 2.108 0.209 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 49 1.150 2.529 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.112 -0.179 -14.274 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.188 0.998 -15.537 1.00 0.00 H new ATOM 682 N PHE A 50 -0.325 2.729 -11.872 1.00 0.00 N ATOM 683 CA PHE A 50 -1.450 2.983 -10.988 1.00 0.00 C ATOM 684 C PHE A 50 -2.652 3.517 -11.768 1.00 0.00 C ATOM 685 O PHE A 50 -2.753 4.718 -12.015 1.00 0.00 O ATOM 686 CB PHE A 50 -0.997 4.043 -9.982 1.00 0.00 C ATOM 687 CG PHE A 50 0.026 3.539 -8.963 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.406 2.233 -8.970 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.555 4.396 -8.049 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.356 1.765 -8.025 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.505 3.928 -7.104 1.00 0.00 C ATOM 692 CZ PHE A 50 1.886 2.622 -7.111 1.00 0.00 C ATOM 0 H PHE A 50 0.459 3.373 -11.761 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.753 2.058 -10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.568 4.885 -10.526 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.870 4.419 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.015 1.552 -9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.252 5.433 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.658 0.728 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.926 4.609 -6.379 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.609 2.266 -6.392 1.00 0.00 H new ATOM 702 N SER A 51 -3.534 2.599 -12.136 1.00 0.00 N ATOM 703 CA SER A 51 -4.725 2.963 -12.885 1.00 0.00 C ATOM 704 C SER A 51 -5.709 3.701 -11.976 1.00 0.00 C ATOM 705 O SER A 51 -6.920 3.628 -12.177 1.00 0.00 O ATOM 706 CB SER A 51 -5.390 1.727 -13.495 1.00 0.00 C ATOM 707 OG SER A 51 -5.865 0.828 -12.496 1.00 0.00 O ATOM 0 H SER A 51 -3.448 1.604 -11.929 1.00 0.00 H new ATOM 0 HA SER A 51 -4.429 3.623 -13.700 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.221 2.038 -14.128 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.676 1.211 -14.137 1.00 0.00 H new ATOM 0 HG SER A 51 -6.284 0.053 -12.926 1.00 0.00 H new ATOM 713 N VAL A 52 -5.152 4.396 -10.995 1.00 0.00 N ATOM 714 CA VAL A 52 -5.965 5.147 -10.054 1.00 0.00 C ATOM 715 C VAL A 52 -5.559 6.622 -10.100 1.00 0.00 C ATOM 716 O VAL A 52 -4.466 6.955 -10.557 1.00 0.00 O ATOM 717 CB VAL A 52 -5.846 4.538 -8.656 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.241 3.059 -8.667 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.434 4.724 -8.095 1.00 0.00 C ATOM 0 H VAL A 52 -4.147 4.455 -10.832 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.018 5.090 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.539 5.065 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.148 2.650 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.273 2.960 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.584 2.512 -9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.377 4.282 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.714 4.235 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.204 5.788 -8.033 1.00 0.00 H new ATOM 729 N SER A 53 -6.460 7.466 -9.620 1.00 0.00 N ATOM 730 CA SER A 53 -6.210 8.897 -9.601 1.00 0.00 C ATOM 731 C SER A 53 -5.526 9.291 -8.290 1.00 0.00 C ATOM 732 O SER A 53 -5.901 8.811 -7.221 1.00 0.00 O ATOM 733 CB SER A 53 -7.508 9.686 -9.779 1.00 0.00 C ATOM 734 OG SER A 53 -7.267 11.021 -10.215 1.00 0.00 O ATOM 0 H SER A 53 -7.365 7.186 -9.241 1.00 0.00 H new ATOM 0 HA SER A 53 -5.552 9.140 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.145 9.178 -10.503 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.052 9.706 -8.835 1.00 0.00 H new ATOM 0 HG SER A 53 -8.121 11.491 -10.318 1.00 0.00 H new ATOM 740 N SER A 54 -4.532 10.159 -8.416 1.00 0.00 N ATOM 741 CA SER A 54 -3.793 10.623 -7.253 1.00 0.00 C ATOM 742 C SER A 54 -4.715 11.421 -6.329 1.00 0.00 C ATOM 743 O SER A 54 -5.843 11.742 -6.700 1.00 0.00 O ATOM 744 CB SER A 54 -2.592 11.475 -7.669 1.00 0.00 C ATOM 745 OG SER A 54 -2.906 12.864 -7.696 1.00 0.00 O ATOM 0 H SER A 54 -4.221 10.553 -9.304 1.00 0.00 H new ATOM 0 HA SER A 54 -3.419 9.751 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.768 11.303 -6.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.250 11.162 -8.655 1.00 0.00 H new ATOM 0 HG SER A 54 -2.113 13.373 -7.964 1.00 0.00 H new ATOM 751 N PRO A 55 -4.187 11.726 -5.114 1.00 0.00 N ATOM 752 CA PRO A 55 -2.843 11.306 -4.756 1.00 0.00 C ATOM 753 C PRO A 55 -2.802 9.810 -4.438 1.00 0.00 C ATOM 754 O PRO A 55 -3.828 9.210 -4.126 1.00 0.00 O ATOM 755 CB PRO A 55 -2.463 12.177 -3.569 1.00 0.00 C ATOM 756 CG PRO A 55 -3.769 12.721 -3.016 1.00 0.00 C ATOM 757 CD PRO A 55 -4.853 12.474 -4.052 1.00 0.00 C ATOM 0 HA PRO A 55 -2.131 11.433 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.931 11.598 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.801 12.987 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.020 12.229 -2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.679 13.786 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.683 11.908 -3.629 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.264 13.412 -4.426 1.00 0.00 H new ATOM 765 N TYR A 56 -1.603 9.251 -4.528 1.00 0.00 N ATOM 766 CA TYR A 56 -1.415 7.837 -4.253 1.00 0.00 C ATOM 767 C TYR A 56 -0.864 7.621 -2.843 1.00 0.00 C ATOM 768 O TYR A 56 0.240 8.063 -2.529 1.00 0.00 O ATOM 769 CB TYR A 56 -0.384 7.344 -5.271 1.00 0.00 C ATOM 770 CG TYR A 56 -0.879 7.369 -6.719 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.202 7.097 -7.002 1.00 0.00 C ATOM 772 CD2 TYR A 56 -0.001 7.664 -7.743 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.667 7.120 -8.364 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.467 7.687 -9.105 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.776 7.414 -9.349 1.00 0.00 C ATOM 776 OH TYR A 56 -2.216 7.437 -10.635 1.00 0.00 O ATOM 0 H TYR A 56 -0.753 9.752 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.362 7.303 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.512 7.960 -5.193 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.093 6.325 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.889 6.867 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.034 7.877 -7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.700 6.909 -8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.209 7.916 -9.915 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.182 7.604 -10.647 1.00 0.00 H new ATOM 786 N TYR A 57 -1.659 6.942 -2.029 1.00 0.00 N ATOM 787 CA TYR A 57 -1.265 6.661 -0.659 1.00 0.00 C ATOM 788 C TYR A 57 -0.703 5.244 -0.529 1.00 0.00 C ATOM 789 O TYR A 57 -1.308 4.287 -1.008 1.00 0.00 O ATOM 790 CB TYR A 57 -2.543 6.770 0.177 1.00 0.00 C ATOM 791 CG TYR A 57 -3.270 8.108 0.032 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.575 9.231 -0.366 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.621 8.190 0.300 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.260 10.490 -0.503 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.306 9.450 0.164 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.592 10.537 -0.231 1.00 0.00 C ATOM 797 OH TYR A 57 -5.238 11.727 -0.359 1.00 0.00 O ATOM 0 H TYR A 57 -2.575 6.578 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.491 7.355 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.222 5.967 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.292 6.616 1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.517 9.166 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.165 7.310 0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.728 11.377 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.363 9.529 0.371 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.947 12.335 0.352 1.00 0.00 H new ATOM 807 N GLU A 58 0.448 5.156 0.122 1.00 0.00 N ATOM 808 CA GLU A 58 1.099 3.873 0.321 1.00 0.00 C ATOM 809 C GLU A 58 0.855 3.370 1.746 1.00 0.00 C ATOM 810 O GLU A 58 1.061 4.104 2.711 1.00 0.00 O ATOM 811 CB GLU A 58 2.595 3.965 0.020 1.00 0.00 C ATOM 812 CG GLU A 58 3.268 5.021 0.899 1.00 0.00 C ATOM 813 CD GLU A 58 4.772 5.087 0.624 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.489 4.228 1.181 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.171 5.995 -0.137 1.00 0.00 O ATOM 0 H GLU A 58 0.946 5.953 0.518 1.00 0.00 H new ATOM 0 HA GLU A 58 0.666 3.155 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.063 2.995 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.743 4.213 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.817 5.996 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.097 4.787 1.950 1.00 0.00 H new ATOM 822 N TRP A 59 0.422 2.121 1.832 1.00 0.00 N ATOM 823 CA TRP A 59 0.150 1.511 3.123 1.00 0.00 C ATOM 824 C TRP A 59 0.629 0.060 3.070 1.00 0.00 C ATOM 825 O TRP A 59 0.550 -0.587 2.027 1.00 0.00 O ATOM 826 CB TRP A 59 -1.331 1.639 3.487 1.00 0.00 C ATOM 827 CG TRP A 59 -1.772 0.723 4.631 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.340 -0.488 4.546 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.656 0.995 6.042 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.599 -1.014 5.795 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.170 -0.084 6.734 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.135 2.115 6.714 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.211 -0.149 8.132 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.185 2.034 8.111 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.698 0.956 8.822 1.00 0.00 C ATOM 0 H TRP A 59 0.253 1.515 1.029 1.00 0.00 H new ATOM 0 HA TRP A 59 0.691 2.027 3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.539 2.673 3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.932 1.417 2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.567 -0.989 3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.027 -1.919 5.993 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.729 2.970 6.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.617 -1.005 8.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.797 2.869 8.676 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.701 0.970 9.902 1.00 0.00 H new ATOM 846 N PRO A 60 1.129 -0.422 4.240 1.00 0.00 N ATOM 847 CA PRO A 60 1.621 -1.786 4.337 1.00 0.00 C ATOM 848 C PRO A 60 0.464 -2.786 4.379 1.00 0.00 C ATOM 849 O PRO A 60 -0.545 -2.546 5.041 1.00 0.00 O ATOM 850 CB PRO A 60 2.472 -1.808 5.597 1.00 0.00 C ATOM 851 CG PRO A 60 2.050 -0.593 6.406 1.00 0.00 C ATOM 852 CD PRO A 60 1.238 0.314 5.495 1.00 0.00 C ATOM 0 HA PRO A 60 2.210 -2.083 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.312 -2.727 6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.533 -1.765 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.458 -0.896 7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.924 -0.066 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.255 0.523 5.918 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.733 1.274 5.349 1.00 0.00 H new ATOM 860 N ILE A 61 0.648 -3.886 3.664 1.00 0.00 N ATOM 861 CA ILE A 61 -0.369 -4.923 3.612 1.00 0.00 C ATOM 862 C ILE A 61 0.152 -6.178 4.315 1.00 0.00 C ATOM 863 O ILE A 61 1.097 -6.810 3.844 1.00 0.00 O ATOM 864 CB ILE A 61 -0.812 -5.166 2.167 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.032 -6.088 2.116 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.346 -5.700 1.322 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.372 -6.468 0.674 1.00 0.00 C ATOM 0 H ILE A 61 1.486 -4.082 3.116 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.264 -4.606 4.147 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.112 -4.211 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.836 -6.989 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.887 -5.592 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.005 -5.864 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.160 -4.975 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.699 -6.642 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.243 -7.124 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.591 -5.566 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.524 -6.985 0.225 1.00 0.00 H new ATOM 879 N LEU A 62 -0.486 -6.501 5.430 1.00 0.00 N ATOM 880 CA LEU A 62 -0.099 -7.669 6.202 1.00 0.00 C ATOM 881 C LEU A 62 -0.748 -8.915 5.596 1.00 0.00 C ATOM 882 O LEU A 62 -1.966 -8.969 5.434 1.00 0.00 O ATOM 883 CB LEU A 62 -0.426 -7.465 7.683 1.00 0.00 C ATOM 884 CG LEU A 62 0.199 -6.235 8.344 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.384 -6.008 9.741 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.725 -6.342 8.370 1.00 0.00 C ATOM 0 H LEU A 62 -1.269 -5.974 5.817 1.00 0.00 H new ATOM 0 HA LEU A 62 0.980 -7.816 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.509 -7.400 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.104 -8.351 8.231 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.052 -5.360 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.077 -5.128 10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.461 -5.855 9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.184 -6.879 10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.144 -5.455 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.018 -7.228 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.102 -6.420 7.350 1.00 0.00 H new ATOM 898 N SER A 63 0.095 -9.886 5.276 1.00 0.00 N ATOM 899 CA SER A 63 -0.381 -11.128 4.690 1.00 0.00 C ATOM 900 C SER A 63 -1.469 -11.740 5.575 1.00 0.00 C ATOM 901 O SER A 63 -2.271 -12.549 5.110 1.00 0.00 O ATOM 902 CB SER A 63 0.767 -12.121 4.496 1.00 0.00 C ATOM 903 OG SER A 63 1.260 -12.616 5.738 1.00 0.00 O ATOM 0 H SER A 63 1.105 -9.838 5.411 1.00 0.00 H new ATOM 0 HA SER A 63 -0.802 -10.905 3.709 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.425 -12.955 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.577 -11.636 3.951 1.00 0.00 H new ATOM 0 HG SER A 63 1.990 -13.248 5.572 1.00 0.00 H new ATOM 909 N SER A 64 -1.461 -11.332 6.836 1.00 0.00 N ATOM 910 CA SER A 64 -2.437 -11.830 7.790 1.00 0.00 C ATOM 911 C SER A 64 -3.786 -11.145 7.565 1.00 0.00 C ATOM 912 O SER A 64 -4.813 -11.612 8.054 1.00 0.00 O ATOM 913 CB SER A 64 -1.964 -11.611 9.227 1.00 0.00 C ATOM 914 OG SER A 64 -0.542 -11.607 9.327 1.00 0.00 O ATOM 0 H SER A 64 -0.794 -10.662 7.219 1.00 0.00 H new ATOM 0 HA SER A 64 -2.551 -12.903 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.356 -10.664 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.370 -12.395 9.866 1.00 0.00 H new ATOM 0 HG SER A 64 -0.280 -11.463 10.260 1.00 0.00 H new ATOM 920 N GLY A 65 -3.740 -10.048 6.822 1.00 0.00 N ATOM 921 CA GLY A 65 -4.946 -9.294 6.527 1.00 0.00 C ATOM 922 C GLY A 65 -5.332 -8.393 7.701 1.00 0.00 C ATOM 923 O GLY A 65 -6.515 -8.180 7.963 1.00 0.00 O ATOM 0 H GLY A 65 -2.887 -9.664 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.790 -8.688 5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.763 -9.981 6.307 1.00 0.00 H new ATOM 927 N ASP A 66 -4.311 -7.887 8.378 1.00 0.00 N ATOM 928 CA ASP A 66 -4.528 -7.015 9.519 1.00 0.00 C ATOM 929 C ASP A 66 -4.114 -5.589 9.151 1.00 0.00 C ATOM 930 O ASP A 66 -3.706 -5.330 8.019 1.00 0.00 O ATOM 931 CB ASP A 66 -3.688 -7.456 10.718 1.00 0.00 C ATOM 932 CG ASP A 66 -4.242 -8.658 11.487 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.775 -9.566 10.815 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.119 -8.641 12.731 1.00 0.00 O ATOM 0 H ASP A 66 -3.331 -8.065 8.158 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.585 -7.062 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.684 -7.698 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.594 -6.616 11.406 1.00 0.00 H new ATOM 939 N VAL A 67 -4.230 -4.701 10.128 1.00 0.00 N ATOM 940 CA VAL A 67 -3.872 -3.309 9.921 1.00 0.00 C ATOM 941 C VAL A 67 -2.504 -3.039 10.552 1.00 0.00 C ATOM 942 O VAL A 67 -2.394 -2.910 11.771 1.00 0.00 O ATOM 943 CB VAL A 67 -4.973 -2.399 10.469 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.470 -0.962 10.625 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.218 -2.449 9.581 1.00 0.00 C ATOM 0 H VAL A 67 -4.567 -4.919 11.066 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.788 -3.091 8.856 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.250 -2.767 11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.272 -0.336 11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.627 -0.945 11.315 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.152 -0.580 9.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.985 -1.793 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.961 -2.119 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.596 -3.470 9.542 1.00 0.00 H new ATOM 955 N TYR A 68 -1.497 -2.962 9.695 1.00 0.00 N ATOM 956 CA TYR A 68 -0.142 -2.709 10.153 1.00 0.00 C ATOM 957 C TYR A 68 -0.121 -1.629 11.235 1.00 0.00 C ATOM 958 O TYR A 68 -0.908 -0.685 11.191 1.00 0.00 O ATOM 959 CB TYR A 68 0.629 -2.205 8.932 1.00 0.00 C ATOM 960 CG TYR A 68 2.146 -2.155 9.130 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.856 -3.323 9.316 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.802 -0.941 9.123 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.283 -3.276 9.502 1.00 0.00 C ATOM 964 CE2 TYR A 68 4.229 -0.893 9.310 1.00 0.00 C ATOM 965 CZ TYR A 68 4.899 -2.064 9.490 1.00 0.00 C ATOM 966 OH TYR A 68 6.247 -2.019 9.667 1.00 0.00 O ATOM 0 H TYR A 68 -1.593 -3.070 8.685 1.00 0.00 H new ATOM 0 HA TYR A 68 0.293 -3.613 10.579 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.405 -2.850 8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.273 -1.207 8.677 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.342 -4.273 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.245 -0.027 8.977 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.851 -4.183 9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.755 0.050 9.307 1.00 0.00 H new ATOM 0 HH TYR A 68 6.592 -2.929 9.785 1.00 0.00 H new ATOM 976 N SER A 69 0.788 -1.804 12.184 1.00 0.00 N ATOM 977 CA SER A 69 0.921 -0.856 13.277 1.00 0.00 C ATOM 978 C SER A 69 2.063 0.121 12.986 1.00 0.00 C ATOM 979 O SER A 69 2.676 0.656 13.907 1.00 0.00 O ATOM 980 CB SER A 69 1.165 -1.577 14.604 1.00 0.00 C ATOM 981 OG SER A 69 2.469 -2.144 14.672 1.00 0.00 O ATOM 0 H SER A 69 1.439 -2.588 12.218 1.00 0.00 H new ATOM 0 HA SER A 69 -0.012 -0.299 13.363 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.032 -0.875 15.427 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.421 -2.363 14.731 1.00 0.00 H new ATOM 0 HG SER A 69 2.586 -2.594 15.535 1.00 0.00 H new ATOM 987 N GLY A 70 2.313 0.323 11.700 1.00 0.00 N ATOM 988 CA GLY A 70 3.369 1.225 11.277 1.00 0.00 C ATOM 989 C GLY A 70 4.746 0.669 11.644 1.00 0.00 C ATOM 990 O GLY A 70 4.862 -0.168 12.538 1.00 0.00 O ATOM 0 H GLY A 70 1.802 -0.123 10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.311 1.379 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.230 2.199 11.746 1.00 0.00 H new ATOM 994 N GLY A 71 5.754 1.157 10.937 1.00 0.00 N ATOM 995 CA GLY A 71 7.119 0.720 11.178 1.00 0.00 C ATOM 996 C GLY A 71 7.844 0.435 9.862 1.00 0.00 C ATOM 997 O GLY A 71 7.862 1.277 8.966 1.00 0.00 O ATOM 0 H GLY A 71 5.653 1.851 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.657 1.487 11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.113 -0.178 11.796 1.00 0.00 H new ATOM 1001 N SER A 72 8.424 -0.753 9.787 1.00 0.00 N ATOM 1002 CA SER A 72 9.149 -1.159 8.595 1.00 0.00 C ATOM 1003 C SER A 72 8.481 -2.385 7.968 1.00 0.00 C ATOM 1004 O SER A 72 9.003 -3.494 8.058 1.00 0.00 O ATOM 1005 CB SER A 72 10.614 -1.461 8.917 1.00 0.00 C ATOM 1006 OG SER A 72 11.496 -0.937 7.929 1.00 0.00 O ATOM 0 H SER A 72 8.407 -1.448 10.533 1.00 0.00 H new ATOM 0 HA SER A 72 9.124 -0.334 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.866 -1.038 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.754 -2.539 8.993 1.00 0.00 H new ATOM 0 HG SER A 72 12.422 -1.149 8.171 1.00 0.00 H new ATOM 1012 N PRO A 73 7.305 -2.135 7.331 1.00 0.00 N ATOM 1013 CA PRO A 73 6.561 -3.205 6.689 1.00 0.00 C ATOM 1014 C PRO A 73 7.224 -3.624 5.375 1.00 0.00 C ATOM 1015 O PRO A 73 6.690 -4.454 4.643 1.00 0.00 O ATOM 1016 CB PRO A 73 5.160 -2.648 6.496 1.00 0.00 C ATOM 1017 CG PRO A 73 5.293 -1.138 6.608 1.00 0.00 C ATOM 1018 CD PRO A 73 6.658 -0.833 7.205 1.00 0.00 C ATOM 0 HA PRO A 73 6.535 -4.116 7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.757 -2.934 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.477 -3.037 7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.192 -0.672 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.502 -0.731 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.232 -0.166 6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.566 -0.341 8.173 1.00 0.00 H new ATOM 1026 N GLY A 74 8.381 -3.031 5.118 1.00 0.00 N ATOM 1027 CA GLY A 74 9.123 -3.331 3.906 1.00 0.00 C ATOM 1028 C GLY A 74 8.914 -4.786 3.482 1.00 0.00 C ATOM 1029 O GLY A 74 9.359 -5.706 4.167 1.00 0.00 O ATOM 0 H GLY A 74 8.823 -2.344 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.802 -2.665 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.184 -3.145 4.070 1.00 0.00 H new ATOM 1033 N ALA A 75 8.236 -4.949 2.355 1.00 0.00 N ATOM 1034 CA ALA A 75 7.963 -6.277 1.832 1.00 0.00 C ATOM 1035 C ALA A 75 6.601 -6.275 1.135 1.00 0.00 C ATOM 1036 O ALA A 75 6.501 -6.618 -0.042 1.00 0.00 O ATOM 1037 CB ALA A 75 8.035 -7.298 2.968 1.00 0.00 C ATOM 0 H ALA A 75 7.868 -4.184 1.790 1.00 0.00 H new ATOM 0 HA ALA A 75 8.712 -6.560 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.830 -8.294 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.031 -7.280 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.295 -7.049 3.729 1.00 0.00 H new ATOM 1043 N ASP A 76 5.585 -5.884 1.891 1.00 0.00 N ATOM 1044 CA ASP A 76 4.233 -5.833 1.361 1.00 0.00 C ATOM 1045 C ASP A 76 3.611 -4.476 1.694 1.00 0.00 C ATOM 1046 O ASP A 76 3.513 -4.104 2.861 1.00 0.00 O ATOM 1047 CB ASP A 76 3.356 -6.921 1.982 1.00 0.00 C ATOM 1048 CG ASP A 76 3.849 -8.353 1.764 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.335 -8.621 0.645 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.730 -9.146 2.723 1.00 0.00 O ATOM 0 H ASP A 76 5.671 -5.599 2.867 1.00 0.00 H new ATOM 0 HA ASP A 76 4.287 -5.986 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.281 -6.738 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.350 -6.833 1.572 1.00 0.00 H new ATOM 1055 N ARG A 77 3.206 -3.773 0.645 1.00 0.00 N ATOM 1056 CA ARG A 77 2.596 -2.465 0.812 1.00 0.00 C ATOM 1057 C ARG A 77 1.562 -2.218 -0.288 1.00 0.00 C ATOM 1058 O ARG A 77 1.790 -2.559 -1.448 1.00 0.00 O ATOM 1059 CB ARG A 77 3.651 -1.356 0.770 1.00 0.00 C ATOM 1060 CG ARG A 77 4.776 -1.633 1.768 1.00 0.00 C ATOM 1061 CD ARG A 77 4.494 -0.962 3.113 1.00 0.00 C ATOM 1062 NE ARG A 77 5.415 0.179 3.313 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.687 0.056 3.715 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.197 -1.158 3.963 1.00 0.00 N ATOM 1065 NH2 ARG A 77 7.449 1.147 3.870 1.00 0.00 N ATOM 0 H ARG A 77 3.289 -4.085 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 77 2.107 -2.449 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.063 -1.279 -0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.185 -0.397 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.884 -2.708 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.721 -1.268 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.461 -0.616 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.615 -1.683 3.921 1.00 0.00 H new ATOM 0 HE ARG A 77 5.059 1.118 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.617 -1.989 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.165 -1.252 4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.061 2.071 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.417 1.053 4.176 1.00 0.00 H new ATOM 1079 N VAL A 78 0.447 -1.627 0.114 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.623 -1.330 -0.823 1.00 0.00 C ATOM 1081 C VAL A 78 -0.713 0.184 -1.026 1.00 0.00 C ATOM 1082 O VAL A 78 -0.733 0.943 -0.059 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.935 -1.946 -0.332 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.997 -3.439 -0.663 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.125 -1.707 1.167 1.00 0.00 C ATOM 0 H VAL A 78 0.261 -1.346 1.077 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.413 -1.776 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.754 -1.453 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.939 -3.853 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.929 -3.576 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.167 -3.954 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.065 -2.155 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.299 -2.160 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.147 -0.635 1.365 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.762 0.577 -2.291 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.849 1.987 -2.632 1.00 0.00 C ATOM 1097 C VAL A 79 -2.270 2.308 -3.097 1.00 0.00 C ATOM 1098 O VAL A 79 -2.865 1.547 -3.859 1.00 0.00 O ATOM 1099 CB VAL A 79 0.214 2.338 -3.675 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.033 3.770 -4.183 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.622 2.130 -3.114 1.00 0.00 C ATOM 0 H VAL A 79 -0.743 -0.056 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.646 2.605 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 79 0.087 1.664 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.801 3.993 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.951 3.872 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.120 4.466 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.359 2.387 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.764 2.768 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.748 1.087 -2.824 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.775 3.436 -2.619 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.116 3.868 -2.976 1.00 0.00 C ATOM 1113 C PHE A 80 -4.209 5.394 -3.010 1.00 0.00 C ATOM 1114 O PHE A 80 -3.190 6.083 -3.023 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.059 3.334 -1.896 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.859 3.978 -0.522 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.713 3.750 0.175 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.827 4.778 0.001 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.529 4.348 1.450 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.641 5.375 1.276 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.496 5.148 1.973 1.00 0.00 C ATOM 0 H PHE A 80 -2.279 4.064 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.377 3.494 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.089 3.495 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.918 2.257 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.944 3.115 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.736 4.959 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.620 4.167 2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.409 6.010 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.355 5.603 2.942 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.442 5.879 -3.026 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.683 7.312 -3.058 1.00 0.00 C ATOM 1133 C ASN A 81 -6.751 7.669 -2.023 1.00 0.00 C ATOM 1134 O ASN A 81 -7.111 6.843 -1.186 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.189 7.755 -4.432 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.720 6.792 -5.525 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.906 7.123 -6.372 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.277 5.586 -5.460 1.00 0.00 N ATOM 0 H ASN A 81 -6.285 5.305 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.742 7.817 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.278 7.801 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.829 8.761 -4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.029 4.872 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.952 5.375 -4.725 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.229 8.901 -2.114 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.249 9.378 -1.195 1.00 0.00 C ATOM 1147 C GLU A 82 -9.644 9.069 -1.744 1.00 0.00 C ATOM 1148 O GLU A 82 -10.606 9.769 -1.435 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.086 10.875 -0.925 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.023 11.335 0.195 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.752 10.562 1.487 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.089 9.358 1.510 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.216 11.192 2.423 1.00 0.00 O ATOM 0 H GLU A 82 -6.929 9.584 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.129 8.855 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.053 11.088 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.297 11.437 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.889 12.402 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.059 11.189 -0.110 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.708 8.018 -2.549 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.968 7.607 -3.142 1.00 0.00 C ATOM 1162 C ASN A 83 -11.386 6.255 -2.559 1.00 0.00 C ATOM 1163 O ASN A 83 -12.573 5.940 -2.500 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.836 7.446 -4.658 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.369 7.495 -5.089 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.790 6.301 -5.178 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.800 8.549 -5.326 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.908 7.440 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.710 8.375 -2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.278 6.499 -4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.393 8.236 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.304 9.432 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.821 8.547 -5.612 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.386 5.492 -2.141 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.634 4.183 -1.564 1.00 0.00 C ATOM 1176 C ASN A 84 -10.236 3.102 -2.572 1.00 0.00 C ATOM 1177 O ASN A 84 -10.712 1.970 -2.495 1.00 0.00 O ATOM 1178 CB ASN A 84 -12.117 3.998 -1.235 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.909 3.593 -2.478 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.337 3.950 -3.624 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.969 2.994 -2.403 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.402 5.756 -2.191 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.048 4.102 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.229 3.236 -0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.521 4.925 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.353 2.750 -1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.471 2.737 -3.253 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.366 3.489 -3.492 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.898 2.567 -4.515 1.00 0.00 C ATOM 1190 C GLN A 85 -7.534 1.993 -4.126 1.00 0.00 C ATOM 1191 O GLN A 85 -7.047 2.232 -3.023 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.836 3.251 -5.882 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.235 3.634 -6.367 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.159 4.551 -7.590 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.723 4.279 -8.637 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.433 5.649 -7.399 1.00 0.00 N ATOM 0 H GLN A 85 -8.972 4.428 -3.552 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.609 1.744 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.212 4.143 -5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.366 2.584 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.796 2.734 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.777 4.135 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.987 5.815 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.322 6.325 -8.155 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.957 1.244 -5.055 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.659 0.634 -4.825 1.00 0.00 C ATOM 1207 C LEU A 86 -4.762 0.879 -6.040 1.00 0.00 C ATOM 1208 O LEU A 86 -5.154 0.599 -7.171 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.819 -0.845 -4.466 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.537 -1.679 -4.471 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.112 -2.022 -5.900 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.422 -0.975 -3.695 1.00 0.00 C ATOM 0 H LEU A 86 -7.365 1.046 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.167 1.095 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.268 -0.911 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.524 -1.294 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.740 -2.620 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.198 -2.615 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.902 -2.593 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.933 -1.102 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.522 -1.589 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.212 -0.009 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.737 -0.824 -2.662 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.575 1.398 -5.762 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.618 1.683 -6.819 1.00 0.00 C ATOM 1226 C ALA A 87 -2.054 0.367 -7.359 1.00 0.00 C ATOM 1227 O ALA A 87 -1.803 0.241 -8.557 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.526 2.609 -6.282 1.00 0.00 C ATOM 0 H ALA A 87 -3.254 1.628 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.103 2.198 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.808 2.823 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.976 3.541 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.015 2.124 -5.450 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.872 -0.579 -6.450 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.341 -1.880 -6.821 1.00 0.00 C ATOM 1236 C GLY A 88 -0.906 -2.668 -5.583 1.00 0.00 C ATOM 1237 O GLY A 88 -1.561 -2.608 -4.543 1.00 0.00 O ATOM 0 H GLY A 88 -2.083 -0.471 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.097 -2.443 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.492 -1.752 -7.492 1.00 0.00 H new ATOM 1241 N VAL A 89 0.196 -3.387 -5.736 1.00 0.00 N ATOM 1242 CA VAL A 89 0.726 -4.185 -4.644 1.00 0.00 C ATOM 1243 C VAL A 89 2.252 -4.228 -4.743 1.00 0.00 C ATOM 1244 O VAL A 89 2.811 -5.117 -5.384 1.00 0.00 O ATOM 1245 CB VAL A 89 0.086 -5.574 -4.653 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.721 -6.478 -3.592 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.428 -5.482 -4.458 1.00 0.00 C ATOM 0 H VAL A 89 0.736 -3.434 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 89 0.476 -3.733 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 89 0.272 -6.021 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.248 -7.459 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.787 -6.583 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.581 -6.035 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.858 -6.484 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.643 -5.005 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.864 -4.892 -5.264 1.00 0.00 H new ATOM 1257 N ILE A 90 2.884 -3.257 -4.098 1.00 0.00 N ATOM 1258 CA ILE A 90 4.334 -3.174 -4.107 1.00 0.00 C ATOM 1259 C ILE A 90 4.900 -4.094 -3.022 1.00 0.00 C ATOM 1260 O ILE A 90 4.168 -4.546 -2.143 1.00 0.00 O ATOM 1261 CB ILE A 90 4.787 -1.719 -3.976 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.557 -1.197 -2.556 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.111 -0.837 -5.028 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.006 0.229 -2.579 1.00 0.00 C ATOM 0 H ILE A 90 2.418 -2.522 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 90 4.730 -3.523 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 90 5.860 -1.678 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.860 -1.852 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.494 -1.220 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.451 0.192 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.371 -1.195 -6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.030 -0.879 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.852 0.576 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.716 0.885 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.057 0.244 -3.115 1.00 0.00 H new ATOM 1276 N THR A 91 6.197 -4.343 -3.121 1.00 0.00 N ATOM 1277 CA THR A 91 6.869 -5.201 -2.160 1.00 0.00 C ATOM 1278 C THR A 91 8.385 -5.008 -2.242 1.00 0.00 C ATOM 1279 O THR A 91 8.910 -4.626 -3.286 1.00 0.00 O ATOM 1280 CB THR A 91 6.425 -6.642 -2.420 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.480 -7.433 -1.881 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.419 -6.993 -3.910 1.00 0.00 C ATOM 0 H THR A 91 6.801 -3.966 -3.852 1.00 0.00 H new ATOM 0 HA THR A 91 6.594 -4.941 -1.138 1.00 0.00 H new ATOM 0 HB THR A 91 5.428 -6.795 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.268 -7.673 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.097 -8.026 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.733 -6.330 -4.437 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.423 -6.873 -4.316 1.00 0.00 H new ATOM 1290 N HIS A 92 9.045 -5.281 -1.125 1.00 0.00 N ATOM 1291 CA HIS A 92 10.490 -5.142 -1.058 1.00 0.00 C ATOM 1292 C HIS A 92 11.153 -6.353 -1.717 1.00 0.00 C ATOM 1293 O HIS A 92 12.372 -6.389 -1.874 1.00 0.00 O ATOM 1294 CB HIS A 92 10.948 -4.928 0.386 1.00 0.00 C ATOM 1295 CG HIS A 92 10.623 -3.560 0.936 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.535 -2.804 1.652 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.480 -2.820 0.868 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.955 -1.663 1.996 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.681 -1.674 1.508 1.00 0.00 N ATOM 0 H HIS A 92 8.606 -5.597 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 92 10.800 -4.256 -1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.483 -5.683 1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.025 -5.084 0.442 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.565 -3.116 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.411 -0.865 2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.996 -0.926 1.617 1.00 0.00 H new ATOM 1308 N THR A 93 10.321 -7.317 -2.084 1.00 0.00 N ATOM 1309 CA THR A 93 10.811 -8.526 -2.723 1.00 0.00 C ATOM 1310 C THR A 93 12.016 -8.210 -3.610 1.00 0.00 C ATOM 1311 O THR A 93 11.858 -7.862 -4.778 1.00 0.00 O ATOM 1312 CB THR A 93 9.647 -9.164 -3.484 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.076 -10.073 -2.546 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.119 -10.060 -4.631 1.00 0.00 C ATOM 0 H THR A 93 9.310 -7.285 -1.951 1.00 0.00 H new ATOM 0 HA THR A 93 11.169 -9.245 -1.986 1.00 0.00 H new ATOM 0 HB THR A 93 8.998 -8.382 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.420 -9.601 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.254 -10.488 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.699 -9.469 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.740 -10.863 -4.234 1.00 0.00 H new ATOM 1322 N GLY A 94 13.196 -8.343 -3.020 1.00 0.00 N ATOM 1323 CA GLY A 94 14.428 -8.076 -3.743 1.00 0.00 C ATOM 1324 C GLY A 94 14.266 -6.875 -4.677 1.00 0.00 C ATOM 1325 O GLY A 94 14.805 -6.868 -5.783 1.00 0.00 O ATOM 0 H GLY A 94 13.324 -8.632 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.235 -7.885 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.712 -8.955 -4.321 1.00 0.00 H new ATOM 1329 N ALA A 95 13.522 -5.888 -4.199 1.00 0.00 N ATOM 1330 CA ALA A 95 13.282 -4.685 -4.977 1.00 0.00 C ATOM 1331 C ALA A 95 14.621 -4.026 -5.313 1.00 0.00 C ATOM 1332 O ALA A 95 14.691 -3.165 -6.190 1.00 0.00 O ATOM 1333 CB ALA A 95 12.351 -3.752 -4.202 1.00 0.00 C ATOM 0 H ALA A 95 13.077 -5.897 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 95 12.788 -4.928 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.171 -2.850 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.404 -4.257 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.813 -3.483 -3.252 1.00 0.00 H new ATOM 1339 N SER A 96 15.652 -4.454 -4.599 1.00 0.00 N ATOM 1340 CA SER A 96 16.985 -3.916 -4.810 1.00 0.00 C ATOM 1341 C SER A 96 17.272 -2.815 -3.788 1.00 0.00 C ATOM 1342 O SER A 96 17.842 -1.780 -4.129 1.00 0.00 O ATOM 1343 CB SER A 96 17.140 -3.374 -6.232 1.00 0.00 C ATOM 1344 OG SER A 96 18.504 -3.339 -6.643 1.00 0.00 O ATOM 0 H SER A 96 15.591 -5.168 -3.873 1.00 0.00 H new ATOM 0 HA SER A 96 17.706 -4.723 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.569 -3.996 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.719 -2.370 -6.285 1.00 0.00 H new ATOM 0 HG SER A 96 18.562 -2.989 -7.556 1.00 0.00 H new ATOM 1350 N GLY A 97 16.864 -3.075 -2.555 1.00 0.00 N ATOM 1351 CA GLY A 97 17.071 -2.118 -1.480 1.00 0.00 C ATOM 1352 C GLY A 97 15.745 -1.752 -0.810 1.00 0.00 C ATOM 1353 O GLY A 97 14.964 -2.631 -0.448 1.00 0.00 O ATOM 0 H GLY A 97 16.391 -3.934 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.753 -2.538 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.544 -1.219 -1.875 1.00 0.00 H new ATOM 1357 N ASN A 98 15.532 -0.452 -0.665 1.00 0.00 N ATOM 1358 CA ASN A 98 14.314 0.041 -0.044 1.00 0.00 C ATOM 1359 C ASN A 98 13.291 0.374 -1.132 1.00 0.00 C ATOM 1360 O ASN A 98 12.219 0.902 -0.840 1.00 0.00 O ATOM 1361 CB ASN A 98 14.583 1.316 0.758 1.00 0.00 C ATOM 1362 CG ASN A 98 13.285 1.885 1.334 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.341 0.973 1.545 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 13.149 3.074 1.571 1.00 0.00 N flip ATOM 0 H ASN A 98 16.182 0.274 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 98 13.938 -0.734 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.281 1.100 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.058 2.059 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.915 3.722 1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.270 3.420 1.955 1.00 0.00 H new ATOM 1371 N ASN A 99 13.659 0.050 -2.364 1.00 0.00 N ATOM 1372 CA ASN A 99 12.786 0.308 -3.496 1.00 0.00 C ATOM 1373 C ASN A 99 11.588 -0.642 -3.439 1.00 0.00 C ATOM 1374 O ASN A 99 11.650 -1.686 -2.792 1.00 0.00 O ATOM 1375 CB ASN A 99 13.516 0.069 -4.819 1.00 0.00 C ATOM 1376 CG ASN A 99 14.674 -0.914 -4.637 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.416 -1.901 -3.783 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.731 -0.785 -5.232 1.00 0.00 N flip ATOM 0 H ASN A 99 14.549 -0.388 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 99 12.464 1.348 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.817 -0.320 -5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.895 1.015 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.863 -0.003 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.483 -1.459 -5.088 1.00 0.00 H new ATOM 1385 N PHE A 100 10.525 -0.246 -4.124 1.00 0.00 N ATOM 1386 CA PHE A 100 9.315 -1.049 -4.158 1.00 0.00 C ATOM 1387 C PHE A 100 9.072 -1.613 -5.560 1.00 0.00 C ATOM 1388 O PHE A 100 9.675 -1.158 -6.530 1.00 0.00 O ATOM 1389 CB PHE A 100 8.154 -0.126 -3.785 1.00 0.00 C ATOM 1390 CG PHE A 100 7.957 0.047 -2.277 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.721 -1.039 -1.494 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.017 1.287 -1.721 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.537 -0.879 -0.095 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.835 1.447 -0.322 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.599 0.361 0.461 1.00 0.00 C ATOM 0 H PHE A 100 10.477 0.621 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 100 9.405 -1.888 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.323 0.853 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.235 -0.521 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.673 -2.023 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.203 2.150 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.348 -1.741 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.884 2.431 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.461 0.483 1.525 1.00 0.00 H new ATOM 1405 N VAL A 101 8.187 -2.597 -5.622 1.00 0.00 N ATOM 1406 CA VAL A 101 7.856 -3.229 -6.887 1.00 0.00 C ATOM 1407 C VAL A 101 6.528 -3.975 -6.749 1.00 0.00 C ATOM 1408 O VAL A 101 6.314 -4.692 -5.773 1.00 0.00 O ATOM 1409 CB VAL A 101 9.006 -4.132 -7.338 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.277 -3.318 -7.587 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.257 -5.246 -6.321 1.00 0.00 C ATOM 0 H VAL A 101 7.689 -2.972 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 101 7.726 -2.478 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 101 8.718 -4.598 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.079 -3.984 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.089 -2.578 -8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.571 -2.812 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.079 -5.874 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.514 -4.807 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.357 -5.852 -6.216 1.00 0.00 H new ATOM 1421 N GLU A 102 5.669 -3.780 -7.740 1.00 0.00 N ATOM 1422 CA GLU A 102 4.368 -4.426 -7.740 1.00 0.00 C ATOM 1423 C GLU A 102 4.529 -5.945 -7.636 1.00 0.00 C ATOM 1424 O GLU A 102 5.219 -6.556 -8.449 1.00 0.00 O ATOM 1425 CB GLU A 102 3.566 -4.044 -8.986 1.00 0.00 C ATOM 1426 CG GLU A 102 4.496 -3.626 -10.128 1.00 0.00 C ATOM 1427 CD GLU A 102 3.801 -3.779 -11.484 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.655 -3.292 -11.593 1.00 0.00 O ATOM 1429 OE2 GLU A 102 4.432 -4.382 -12.379 1.00 0.00 O ATOM 0 H GLU A 102 5.849 -3.184 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 102 3.812 -4.079 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.953 -4.888 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.885 -3.227 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.806 -2.590 -9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.400 -4.235 -10.108 1.00 0.00 H new ATOM 1436 N CYS A 103 3.880 -6.508 -6.628 1.00 0.00 N ATOM 1437 CA CYS A 103 3.942 -7.943 -6.407 1.00 0.00 C ATOM 1438 C CYS A 103 3.509 -8.647 -7.695 1.00 0.00 C ATOM 1439 O CYS A 103 3.408 -8.017 -8.747 1.00 0.00 O ATOM 1440 CB CYS A 103 3.090 -8.369 -5.210 1.00 0.00 C ATOM 1441 SG CYS A 103 3.518 -7.546 -3.632 1.00 0.00 S ATOM 0 H CYS A 103 3.309 -5.997 -5.955 1.00 0.00 H new ATOM 0 HA CYS A 103 4.964 -8.231 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.043 -8.167 -5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.186 -9.447 -5.079 1.00 0.00 H new ATOM 0 HG CYS A 103 2.676 -7.909 -2.711 1.00 0.00 H new ATOM 1446 N THR A 104 3.264 -9.943 -7.569 1.00 0.00 N ATOM 1447 CA THR A 104 2.844 -10.739 -8.710 1.00 0.00 C ATOM 1448 C THR A 104 1.398 -11.206 -8.531 1.00 0.00 C ATOM 1449 O THR A 104 0.500 -10.739 -9.228 1.00 0.00 O ATOM 1450 CB THR A 104 3.839 -11.890 -8.876 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.616 -12.709 -7.731 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.292 -11.433 -8.729 1.00 0.00 C ATOM 0 H THR A 104 3.348 -10.462 -6.695 1.00 0.00 H new ATOM 0 HA THR A 104 2.851 -10.150 -9.627 1.00 0.00 H new ATOM 0 HB THR A 104 3.700 -12.352 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.952 -12.252 -6.932 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.957 -12.288 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.516 -10.683 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.439 -11.002 -7.739 1.00 0.00 H new