USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 569 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 66 GLN : amide:sc= 0.586 K(o=1.3,f=-7.5!) USER MOD Set 1.2: A 115 TYR OH : rot -121:sc= 0.72 USER MOD Set 2.1: A 114 ASN : amide:sc= -0.0333 K(o=0.096,f=-0.41) USER MOD Set 2.2: A 116 SER OG : rot 180:sc= 0.129 USER MOD Set 3.1: A 98 ASN : amide:sc= 0.905 K(o=1.7,f=-1.7!) USER MOD Set 3.2: A 100 TYR OH : rot 112:sc= 0.758 USER MOD Set 4.1: A 89 ASN :FLIP amide:sc= 1.14 F(o=0.9,f=2.3) USER MOD Set 4.2: A 93 TYR OH : rot 93:sc= 1.2 USER MOD Set 5.1: A 61 ASN : amide:sc= -4.51! C(o=-5.5!,f=-7.5!) USER MOD Set 5.2: A 73 GLN : amide:sc= -1.04 K(o=-5.5,f=-8!) USER MOD Set 6.1: A 57 TYR OH : rot -108:sc= 0.811 USER MOD Set 6.2: A 106 ASN : amide:sc= 0.954 K(o=1.8,f=-2.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.631 F(o=-1.6,f=-0.63) USER MOD Single : A 48 THR OG1 : rot -40:sc= 1.41 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 1.03 K(o=1,f=-0.29) USER MOD Single : A 54 SER OG : rot 69:sc= 0.509 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 69 THR OG1 : rot 70:sc= -1.44! USER MOD Single : A 74 SER OG : rot 80:sc= -1.12 USER MOD Single : A 87 TYR OH : rot 111:sc= 1.21 USER MOD Single : A 92 LYS NZ :NH3+ 135:sc= 0.731 (180deg=-0.45) USER MOD Single : A 94 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00921 USER MOD Single : A 117 HIS : no HE2:sc= 0.891 K(o=0.89,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 0.031 12.186 -6.382 1.00 0.00 N ATOM 2 CA TYR A 44 -0.358 11.270 -5.269 1.00 0.00 C ATOM 3 C TYR A 44 -1.857 10.969 -5.299 1.00 0.00 C ATOM 4 O TYR A 44 -2.601 11.584 -6.064 1.00 0.00 O ATOM 5 CB TYR A 44 0.031 11.925 -3.936 1.00 0.00 C ATOM 6 CG TYR A 44 1.498 12.279 -3.843 1.00 0.00 C ATOM 7 CD1 TYR A 44 2.450 11.308 -3.560 1.00 0.00 C ATOM 8 CD2 TYR A 44 1.931 13.583 -4.046 1.00 0.00 C ATOM 9 CE1 TYR A 44 3.792 11.629 -3.481 1.00 0.00 C ATOM 10 CE2 TYR A 44 3.271 13.908 -3.970 1.00 0.00 C ATOM 11 CZ TYR A 44 4.196 12.929 -3.688 1.00 0.00 C ATOM 12 OH TYR A 44 5.530 13.250 -3.614 1.00 0.00 O ATOM 0 HA TYR A 44 0.166 10.322 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.562 12.829 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.224 11.249 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.137 10.287 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.208 14.355 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.521 10.864 -3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.592 14.927 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 44 5.646 14.208 -3.786 1.00 0.00 H new ATOM 22 N CYS A 45 -2.292 10.020 -4.470 1.00 0.00 N ATOM 23 CA CYS A 45 -3.706 9.639 -4.409 1.00 0.00 C ATOM 24 C CYS A 45 -4.375 10.192 -3.150 1.00 0.00 C ATOM 25 O CYS A 45 -3.749 10.288 -2.095 1.00 0.00 O ATOM 26 CB CYS A 45 -3.851 8.114 -4.444 1.00 0.00 C ATOM 27 SG CYS A 45 -2.644 7.274 -5.522 1.00 0.00 S ATOM 0 H CYS A 45 -1.688 9.501 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.202 10.068 -5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.747 7.727 -3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.857 7.863 -4.780 1.00 0.00 H new ATOM 32 N HIS A 46 -5.654 10.548 -3.274 1.00 0.00 N ATOM 33 CA HIS A 46 -6.414 11.088 -2.143 1.00 0.00 C ATOM 34 C HIS A 46 -6.889 9.969 -1.209 1.00 0.00 C ATOM 35 O HIS A 46 -6.364 8.854 -1.232 1.00 0.00 O ATOM 36 CB HIS A 46 -7.617 11.903 -2.643 1.00 0.00 C ATOM 37 CG HIS A 46 -7.858 13.170 -1.877 1.00 0.00 C ATOM 38 ND1 HIS A 46 -9.010 13.740 -1.452 1.00 0.00 N flip ATOM 39 CD2 HIS A 46 -6.844 14.006 -1.464 1.00 0.00 C flip ATOM 40 CE1 HIS A 46 -8.673 14.900 -0.795 1.00 0.00 C flip ATOM 41 NE2 HIS A 46 -7.361 15.036 -0.816 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.185 10.473 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.751 11.744 -1.580 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.464 12.150 -3.694 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.511 11.282 -2.588 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.791 13.845 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.369 15.587 -0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.835 15.806 -0.402 1.00 0.00 H new ATOM 50 N ARG A 47 -7.883 10.288 -0.386 1.00 0.00 N ATOM 51 CA ARG A 47 -8.446 9.342 0.569 1.00 0.00 C ATOM 52 C ARG A 47 -9.829 9.814 1.015 1.00 0.00 C ATOM 53 O ARG A 47 -10.194 10.963 0.771 1.00 0.00 O ATOM 54 CB ARG A 47 -7.515 9.213 1.782 1.00 0.00 C ATOM 55 CG ARG A 47 -7.042 10.555 2.327 1.00 0.00 C ATOM 56 CD ARG A 47 -6.218 10.395 3.599 1.00 0.00 C ATOM 57 NE ARG A 47 -4.773 10.481 3.342 1.00 0.00 N ATOM 58 CZ ARG A 47 -3.985 9.431 3.114 1.00 0.00 C ATOM 59 NH1 ARG A 47 -4.488 8.216 3.049 1.00 0.00 N ATOM 60 NH2 ARG A 47 -2.689 9.600 2.947 1.00 0.00 N ATOM 0 H ARG A 47 -8.320 11.209 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.544 8.367 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.033 8.671 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.647 8.616 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.445 11.064 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.905 11.188 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.504 11.166 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.446 9.433 4.059 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.345 11.407 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.490 8.072 3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.876 7.419 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.287 10.536 2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.088 8.795 2.773 1.00 0.00 H new ATOM 74 N THR A 48 -10.585 8.934 1.672 1.00 0.00 N ATOM 75 CA THR A 48 -11.930 9.273 2.168 1.00 0.00 C ATOM 76 C THR A 48 -12.762 10.028 1.119 1.00 0.00 C ATOM 77 O THR A 48 -13.374 11.054 1.423 1.00 0.00 O ATOM 78 CB THR A 48 -11.809 10.112 3.452 1.00 0.00 C ATOM 79 OG1 THR A 48 -13.074 10.311 4.059 1.00 0.00 O ATOM 80 CG2 THR A 48 -11.187 11.478 3.232 1.00 0.00 C ATOM 0 H THR A 48 -10.293 7.978 1.876 1.00 0.00 H new ATOM 0 HA THR A 48 -12.451 8.340 2.382 1.00 0.00 H new ATOM 0 HB THR A 48 -11.151 9.531 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.746 10.482 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.135 12.011 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.182 11.359 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.797 12.047 2.530 1.00 0.00 H new ATOM 88 N THR A 49 -12.786 9.527 -0.117 1.00 0.00 N ATOM 89 CA THR A 49 -13.550 10.187 -1.181 1.00 0.00 C ATOM 90 C THR A 49 -13.842 9.258 -2.363 1.00 0.00 C ATOM 91 O THR A 49 -12.951 8.575 -2.868 1.00 0.00 O ATOM 92 CB THR A 49 -12.800 11.433 -1.670 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.476 12.029 -2.762 1.00 0.00 O ATOM 94 CG2 THR A 49 -11.380 11.152 -2.118 1.00 0.00 C ATOM 0 H THR A 49 -12.295 8.681 -0.405 1.00 0.00 H new ATOM 0 HA THR A 49 -14.511 10.474 -0.753 1.00 0.00 H new ATOM 0 HB THR A 49 -12.766 12.098 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.983 12.823 -3.058 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.913 12.079 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.811 10.737 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.393 10.437 -2.941 1.00 0.00 H new ATOM 102 N ILE A 50 -15.103 9.253 -2.796 1.00 0.00 N ATOM 103 CA ILE A 50 -15.544 8.432 -3.920 1.00 0.00 C ATOM 104 C ILE A 50 -16.425 9.248 -4.877 1.00 0.00 C ATOM 105 O ILE A 50 -16.661 10.436 -4.649 1.00 0.00 O ATOM 106 CB ILE A 50 -16.303 7.179 -3.423 1.00 0.00 C ATOM 107 CG1 ILE A 50 -16.058 5.992 -4.358 1.00 0.00 C ATOM 108 CG2 ILE A 50 -17.795 7.450 -3.284 1.00 0.00 C ATOM 109 CD1 ILE A 50 -15.146 4.943 -3.770 1.00 0.00 C ATOM 0 H ILE A 50 -15.844 9.816 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.658 8.102 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.916 6.929 -2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -17.014 5.532 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.626 6.357 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -18.297 6.549 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -17.953 8.256 -2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.204 7.740 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.016 4.131 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.177 5.388 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.586 4.551 -2.853 1.00 0.00 H new ATOM 121 N GLY A 51 -16.904 8.600 -5.947 1.00 0.00 N ATOM 122 CA GLY A 51 -17.752 9.268 -6.934 1.00 0.00 C ATOM 123 C GLY A 51 -18.754 10.233 -6.320 1.00 0.00 C ATOM 124 O GLY A 51 -18.810 11.400 -6.706 1.00 0.00 O ATOM 0 H GLY A 51 -16.718 7.617 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.120 9.811 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.291 8.514 -7.508 1.00 0.00 H new ATOM 128 N ASN A 52 -19.544 9.747 -5.363 1.00 0.00 N ATOM 129 CA ASN A 52 -20.542 10.578 -4.697 1.00 0.00 C ATOM 130 C ASN A 52 -20.557 10.317 -3.187 1.00 0.00 C ATOM 131 O ASN A 52 -21.607 10.044 -2.600 1.00 0.00 O ATOM 132 CB ASN A 52 -21.930 10.327 -5.302 1.00 0.00 C ATOM 133 CG ASN A 52 -22.891 11.473 -5.054 1.00 0.00 C ATOM 134 OD1 ASN A 52 -23.231 12.220 -5.965 1.00 0.00 O ATOM 135 ND2 ASN A 52 -23.335 11.618 -3.813 1.00 0.00 N ATOM 0 H ASN A 52 -19.511 8.782 -5.033 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.275 11.623 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.831 10.167 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -22.346 9.412 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.984 12.372 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.028 10.975 -3.083 1.00 0.00 H new ATOM 142 N PHE A 53 -19.385 10.406 -2.565 1.00 0.00 N ATOM 143 CA PHE A 53 -19.259 10.183 -1.124 1.00 0.00 C ATOM 144 C PHE A 53 -17.843 10.484 -0.632 1.00 0.00 C ATOM 145 O PHE A 53 -16.867 10.318 -1.366 1.00 0.00 O ATOM 146 CB PHE A 53 -19.636 8.741 -0.773 1.00 0.00 C ATOM 147 CG PHE A 53 -20.173 8.586 0.619 1.00 0.00 C ATOM 148 CD1 PHE A 53 -21.495 8.888 0.903 1.00 0.00 C ATOM 149 CD2 PHE A 53 -19.359 8.140 1.644 1.00 0.00 C ATOM 150 CE1 PHE A 53 -21.992 8.749 2.186 1.00 0.00 C ATOM 151 CE2 PHE A 53 -19.848 7.997 2.927 1.00 0.00 C ATOM 152 CZ PHE A 53 -21.166 8.303 3.198 1.00 0.00 C ATOM 0 H PHE A 53 -18.508 10.631 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.944 10.867 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -20.382 8.385 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.758 8.106 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.145 9.236 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.326 7.900 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -23.024 8.989 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.200 7.646 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.551 8.194 4.201 1.00 0.00 H new ATOM 162 N SER A 54 -17.739 10.925 0.619 1.00 0.00 N ATOM 163 CA SER A 54 -16.449 11.249 1.213 1.00 0.00 C ATOM 164 C SER A 54 -15.920 10.086 2.060 1.00 0.00 C ATOM 165 O SER A 54 -15.532 10.275 3.214 1.00 0.00 O ATOM 166 CB SER A 54 -16.562 12.519 2.066 1.00 0.00 C ATOM 167 OG SER A 54 -17.306 12.276 3.250 1.00 0.00 O ATOM 0 H SER A 54 -18.535 11.066 1.240 1.00 0.00 H new ATOM 0 HA SER A 54 -15.740 11.426 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.565 12.876 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.042 13.308 1.487 1.00 0.00 H new ATOM 0 HG SER A 54 -16.791 11.693 3.846 1.00 0.00 H new ATOM 173 N GLY A 55 -15.903 8.885 1.479 1.00 0.00 N ATOM 174 CA GLY A 55 -15.415 7.712 2.198 1.00 0.00 C ATOM 175 C GLY A 55 -16.256 6.472 1.943 1.00 0.00 C ATOM 176 O GLY A 55 -17.275 6.272 2.602 1.00 0.00 O ATOM 0 H GLY A 55 -16.217 8.702 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.385 7.513 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.405 7.925 3.267 1.00 0.00 H new ATOM 180 N PRO A 56 -15.850 5.613 0.986 1.00 0.00 N ATOM 181 CA PRO A 56 -16.589 4.384 0.657 1.00 0.00 C ATOM 182 C PRO A 56 -16.445 3.296 1.722 1.00 0.00 C ATOM 183 O PRO A 56 -15.665 3.429 2.669 1.00 0.00 O ATOM 184 CB PRO A 56 -15.944 3.935 -0.653 1.00 0.00 C ATOM 185 CG PRO A 56 -14.549 4.443 -0.561 1.00 0.00 C ATOM 186 CD PRO A 56 -14.645 5.766 0.147 1.00 0.00 C ATOM 0 HA PRO A 56 -17.662 4.563 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.967 2.850 -0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -16.464 4.350 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.915 3.749 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.108 4.560 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.758 5.966 0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.746 6.593 -0.556 1.00 0.00 H new ATOM 194 N TYR A 57 -17.201 2.215 1.556 1.00 0.00 N ATOM 195 CA TYR A 57 -17.165 1.098 2.493 1.00 0.00 C ATOM 196 C TYR A 57 -17.011 -0.238 1.765 1.00 0.00 C ATOM 197 O TYR A 57 -17.033 -0.296 0.532 1.00 0.00 O ATOM 198 CB TYR A 57 -18.442 1.088 3.334 1.00 0.00 C ATOM 199 CG TYR A 57 -18.221 0.727 4.787 1.00 0.00 C ATOM 200 CD1 TYR A 57 -17.293 1.417 5.560 1.00 0.00 C ATOM 201 CD2 TYR A 57 -18.945 -0.294 5.387 1.00 0.00 C ATOM 202 CE1 TYR A 57 -17.095 1.095 6.890 1.00 0.00 C ATOM 203 CE2 TYR A 57 -18.749 -0.621 6.717 1.00 0.00 C ATOM 204 CZ TYR A 57 -17.824 0.077 7.461 1.00 0.00 C ATOM 205 OH TYR A 57 -17.630 -0.242 8.785 1.00 0.00 O ATOM 0 H TYR A 57 -17.848 2.089 0.778 1.00 0.00 H new ATOM 0 HA TYR A 57 -16.299 1.228 3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -18.907 2.073 3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.146 0.380 2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -16.719 2.216 5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -19.673 -0.842 4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.371 1.640 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -19.318 -1.419 7.169 1.00 0.00 H new ATOM 0 HH TYR A 57 -17.161 -1.100 8.849 1.00 0.00 H new ATOM 215 N THR A 58 -16.867 -1.309 2.545 1.00 0.00 N ATOM 216 CA THR A 58 -16.720 -2.665 2.005 1.00 0.00 C ATOM 217 C THR A 58 -15.418 -2.827 1.218 1.00 0.00 C ATOM 218 O THR A 58 -14.499 -3.525 1.645 1.00 0.00 O ATOM 219 CB THR A 58 -17.926 -3.016 1.125 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.095 -3.165 1.912 1.00 0.00 O ATOM 221 CG2 THR A 58 -17.753 -4.293 0.331 1.00 0.00 C ATOM 0 H THR A 58 -16.849 -1.264 3.564 1.00 0.00 H new ATOM 0 HA THR A 58 -16.678 -3.355 2.848 1.00 0.00 H new ATOM 0 HB THR A 58 -18.014 -2.184 0.426 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.853 -3.387 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.647 -4.474 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.890 -4.198 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.598 -5.128 1.014 1.00 0.00 H new ATOM 229 N TYR A 59 -15.355 -2.175 0.072 1.00 0.00 N ATOM 230 CA TYR A 59 -14.176 -2.237 -0.792 1.00 0.00 C ATOM 231 C TYR A 59 -13.173 -1.136 -0.445 1.00 0.00 C ATOM 232 O TYR A 59 -13.553 0.002 -0.163 1.00 0.00 O ATOM 233 CB TYR A 59 -14.587 -2.119 -2.269 1.00 0.00 C ATOM 234 CG TYR A 59 -15.373 -0.863 -2.587 1.00 0.00 C ATOM 235 CD1 TYR A 59 -14.723 0.333 -2.858 1.00 0.00 C ATOM 236 CD2 TYR A 59 -16.763 -0.872 -2.609 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.433 1.483 -3.142 1.00 0.00 C ATOM 238 CE2 TYR A 59 -17.479 0.275 -2.893 1.00 0.00 C ATOM 239 CZ TYR A 59 -16.809 1.449 -3.157 1.00 0.00 C ATOM 240 OH TYR A 59 -17.518 2.592 -3.440 1.00 0.00 O ATOM 0 H TYR A 59 -16.109 -1.591 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 59 -13.696 -3.202 -0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.691 -2.142 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.185 -2.989 -2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.644 0.365 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -17.292 -1.790 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.911 2.405 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.559 0.251 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.478 2.397 -3.411 1.00 0.00 H new ATOM 250 N CYS A 60 -11.886 -1.472 -0.492 1.00 0.00 N ATOM 251 CA CYS A 60 -10.835 -0.493 -0.208 1.00 0.00 C ATOM 252 C CYS A 60 -10.643 0.415 -1.414 1.00 0.00 C ATOM 253 O CYS A 60 -10.370 -0.059 -2.510 1.00 0.00 O ATOM 254 CB CYS A 60 -9.498 -1.163 0.143 1.00 0.00 C ATOM 255 SG CYS A 60 -9.529 -2.984 0.178 1.00 0.00 S ATOM 0 H CYS A 60 -11.546 -2.406 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.153 0.087 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.748 -0.842 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.174 -0.802 1.119 1.00 0.00 H new ATOM 260 N ASN A 61 -10.795 1.715 -1.207 1.00 0.00 N ATOM 261 CA ASN A 61 -10.650 2.689 -2.294 1.00 0.00 C ATOM 262 C ASN A 61 -9.188 3.094 -2.507 1.00 0.00 C ATOM 263 O ASN A 61 -8.381 3.042 -1.579 1.00 0.00 O ATOM 264 CB ASN A 61 -11.502 3.928 -2.005 1.00 0.00 C ATOM 265 CG ASN A 61 -11.765 4.756 -3.246 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.492 4.324 -4.364 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.294 5.953 -3.057 1.00 0.00 N ATOM 0 H ASN A 61 -11.018 2.125 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.997 2.214 -3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.453 3.618 -1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.999 4.545 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.490 6.556 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.506 6.274 -2.112 1.00 0.00 H new ATOM 274 N THR A 62 -8.864 3.506 -3.738 1.00 0.00 N ATOM 275 CA THR A 62 -7.503 3.935 -4.090 1.00 0.00 C ATOM 276 C THR A 62 -7.024 5.047 -3.157 1.00 0.00 C ATOM 277 O THR A 62 -7.440 6.201 -3.286 1.00 0.00 O ATOM 278 CB THR A 62 -7.456 4.404 -5.550 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.782 3.336 -6.423 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.103 4.936 -5.974 1.00 0.00 C ATOM 0 H THR A 62 -9.528 3.552 -4.511 1.00 0.00 H new ATOM 0 HA THR A 62 -6.834 3.083 -3.973 1.00 0.00 H new ATOM 0 HB THR A 62 -8.181 5.215 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.750 3.650 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.146 5.249 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.836 5.789 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.352 4.154 -5.860 1.00 0.00 H new ATOM 288 N THR A 63 -6.166 4.687 -2.200 1.00 0.00 N ATOM 289 CA THR A 63 -5.658 5.656 -1.221 1.00 0.00 C ATOM 290 C THR A 63 -4.141 5.598 -1.045 1.00 0.00 C ATOM 291 O THR A 63 -3.450 4.771 -1.644 1.00 0.00 O ATOM 292 CB THR A 63 -6.316 5.411 0.140 1.00 0.00 C ATOM 293 OG1 THR A 63 -6.006 6.456 1.049 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.887 4.109 0.787 1.00 0.00 C ATOM 0 H THR A 63 -5.809 3.739 -2.081 1.00 0.00 H new ATOM 0 HA THR A 63 -5.908 6.644 -1.609 1.00 0.00 H new ATOM 0 HB THR A 63 -7.386 5.368 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.438 6.279 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.390 3.997 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.154 3.275 0.138 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.808 4.117 0.941 1.00 0.00 H new ATOM 302 N LEU A 64 -3.653 6.476 -0.171 1.00 0.00 N ATOM 303 CA LEU A 64 -2.240 6.556 0.170 1.00 0.00 C ATOM 304 C LEU A 64 -2.062 6.213 1.646 1.00 0.00 C ATOM 305 O LEU A 64 -2.986 6.394 2.448 1.00 0.00 O ATOM 306 CB LEU A 64 -1.712 7.966 -0.107 1.00 0.00 C ATOM 307 CG LEU A 64 -0.563 8.066 -1.115 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.741 7.591 -0.495 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.879 7.270 -2.370 1.00 0.00 C ATOM 0 H LEU A 64 -4.233 7.155 0.322 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.678 5.848 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.539 8.578 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.381 8.400 0.836 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.447 9.113 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.543 7.671 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.979 8.209 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.638 6.552 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.050 7.354 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.028 6.222 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.786 7.661 -2.830 1.00 0.00 H new ATOM 321 N ASP A 65 -0.887 5.728 2.006 1.00 0.00 N ATOM 322 CA ASP A 65 -0.612 5.363 3.395 1.00 0.00 C ATOM 323 C ASP A 65 0.718 5.953 3.882 1.00 0.00 C ATOM 324 O ASP A 65 1.277 6.841 3.236 1.00 0.00 O ATOM 325 CB ASP A 65 -0.629 3.836 3.530 1.00 0.00 C ATOM 326 CG ASP A 65 -1.285 3.381 4.811 1.00 0.00 C ATOM 327 OD1 ASP A 65 -2.532 3.294 4.840 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.555 3.111 5.784 1.00 0.00 O ATOM 0 H ASP A 65 -0.109 5.576 1.365 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.391 5.785 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.158 3.404 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.393 3.459 3.494 1.00 0.00 H new ATOM 333 N GLN A 66 1.215 5.466 5.027 1.00 0.00 N ATOM 334 CA GLN A 66 2.478 5.957 5.596 1.00 0.00 C ATOM 335 C GLN A 66 3.586 5.984 4.540 1.00 0.00 C ATOM 336 O GLN A 66 4.374 6.929 4.477 1.00 0.00 O ATOM 337 CB GLN A 66 2.904 5.086 6.783 1.00 0.00 C ATOM 338 CG GLN A 66 4.138 5.608 7.519 1.00 0.00 C ATOM 339 CD GLN A 66 5.257 4.584 7.606 1.00 0.00 C ATOM 340 OE1 GLN A 66 5.041 3.388 7.406 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.461 5.043 7.906 1.00 0.00 N ATOM 0 H GLN A 66 0.764 4.735 5.576 1.00 0.00 H new ATOM 0 HA GLN A 66 2.314 6.977 5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.075 5.017 7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.105 4.076 6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.507 6.499 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.852 5.911 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.601 6.041 8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.249 4.399 7.978 1.00 0.00 H new ATOM 350 N ILE A 67 3.627 4.948 3.708 1.00 0.00 N ATOM 351 CA ILE A 67 4.618 4.844 2.642 1.00 0.00 C ATOM 352 C ILE A 67 4.078 5.460 1.351 1.00 0.00 C ATOM 353 O ILE A 67 2.867 5.440 1.109 1.00 0.00 O ATOM 354 CB ILE A 67 4.997 3.366 2.377 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.333 2.648 3.690 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.165 3.271 1.407 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.286 3.417 4.581 1.00 0.00 C ATOM 0 H ILE A 67 2.979 4.162 3.753 1.00 0.00 H new ATOM 0 HA ILE A 67 5.507 5.386 2.964 1.00 0.00 H new ATOM 0 HB ILE A 67 4.136 2.874 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.409 2.461 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.770 1.676 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.412 2.223 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.891 3.737 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.030 3.784 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.476 2.846 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.225 3.581 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.844 4.378 4.842 1.00 0.00 H new ATOM 369 N GLY A 68 4.973 5.997 0.516 1.00 0.00 N ATOM 370 CA GLY A 68 4.548 6.596 -0.747 1.00 0.00 C ATOM 371 C GLY A 68 3.984 5.564 -1.708 1.00 0.00 C ATOM 372 O GLY A 68 4.537 5.336 -2.782 1.00 0.00 O ATOM 0 H GLY A 68 5.978 6.028 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.794 7.358 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.396 7.099 -1.212 1.00 0.00 H new ATOM 376 N THR A 69 2.888 4.924 -1.304 1.00 0.00 N ATOM 377 CA THR A 69 2.248 3.888 -2.109 1.00 0.00 C ATOM 378 C THR A 69 0.748 4.131 -2.260 1.00 0.00 C ATOM 379 O THR A 69 0.088 4.617 -1.340 1.00 0.00 O ATOM 380 CB THR A 69 2.484 2.522 -1.465 1.00 0.00 C ATOM 381 OG1 THR A 69 2.143 1.479 -2.357 1.00 0.00 O ATOM 382 CG2 THR A 69 1.688 2.304 -0.195 1.00 0.00 C ATOM 0 H THR A 69 2.422 5.108 -0.415 1.00 0.00 H new ATOM 0 HA THR A 69 2.692 3.916 -3.104 1.00 0.00 H new ATOM 0 HB THR A 69 3.546 2.508 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.794 1.448 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.906 1.314 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.961 3.061 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.623 2.380 -0.415 1.00 0.00 H new ATOM 390 N CYS A 70 0.210 3.764 -3.421 1.00 0.00 N ATOM 391 CA CYS A 70 -1.218 3.919 -3.692 1.00 0.00 C ATOM 392 C CYS A 70 -1.934 2.575 -3.589 1.00 0.00 C ATOM 393 O CYS A 70 -1.626 1.643 -4.333 1.00 0.00 O ATOM 394 CB CYS A 70 -1.445 4.521 -5.083 1.00 0.00 C ATOM 395 SG CYS A 70 -3.076 5.304 -5.290 1.00 0.00 S ATOM 0 H CYS A 70 0.742 3.357 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.629 4.597 -2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.670 5.262 -5.279 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.332 3.736 -5.831 1.00 0.00 H new ATOM 400 N TRP A 71 -2.885 2.485 -2.663 1.00 0.00 N ATOM 401 CA TRP A 71 -3.649 1.256 -2.455 1.00 0.00 C ATOM 402 C TRP A 71 -5.005 1.331 -3.167 1.00 0.00 C ATOM 403 O TRP A 71 -5.963 1.888 -2.625 1.00 0.00 O ATOM 404 CB TRP A 71 -3.863 1.010 -0.958 1.00 0.00 C ATOM 405 CG TRP A 71 -2.596 0.903 -0.163 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.152 1.777 0.788 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.615 -0.139 -0.241 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.957 1.336 1.312 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.609 0.164 0.696 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.490 -1.301 -1.008 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.504 -0.652 0.883 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.385 -2.108 -0.822 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.598 -1.782 0.119 1.00 0.00 C ATOM 0 H TRP A 71 -3.146 3.251 -2.042 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.079 0.428 -2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.466 1.822 -0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.437 0.092 -0.831 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.663 2.681 1.085 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.419 1.806 2.040 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.245 -1.563 -1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.266 -0.401 1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.278 -3.006 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.448 -2.436 0.244 1.00 0.00 H new ATOM 424 N PRO A 72 -5.100 0.776 -4.397 1.00 0.00 N ATOM 425 CA PRO A 72 -6.341 0.789 -5.189 1.00 0.00 C ATOM 426 C PRO A 72 -7.400 -0.197 -4.680 1.00 0.00 C ATOM 427 O PRO A 72 -7.262 -0.774 -3.598 1.00 0.00 O ATOM 428 CB PRO A 72 -5.856 0.387 -6.584 1.00 0.00 C ATOM 429 CG PRO A 72 -4.671 -0.477 -6.329 1.00 0.00 C ATOM 430 CD PRO A 72 -3.997 0.101 -5.115 1.00 0.00 C ATOM 0 HA PRO A 72 -6.838 1.758 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.629 -0.150 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.590 1.260 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.971 -1.511 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.998 -0.480 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.536 -0.675 -4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.208 0.802 -5.389 1.00 0.00 H new ATOM 438 N GLN A 73 -8.465 -0.377 -5.473 1.00 0.00 N ATOM 439 CA GLN A 73 -9.560 -1.286 -5.114 1.00 0.00 C ATOM 440 C GLN A 73 -9.040 -2.683 -4.769 1.00 0.00 C ATOM 441 O GLN A 73 -8.687 -3.467 -5.651 1.00 0.00 O ATOM 442 CB GLN A 73 -10.588 -1.366 -6.248 1.00 0.00 C ATOM 443 CG GLN A 73 -11.985 -0.923 -5.826 1.00 0.00 C ATOM 444 CD GLN A 73 -12.112 0.585 -5.703 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.390 1.105 -4.628 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.912 1.296 -6.802 1.00 0.00 N ATOM 0 H GLN A 73 -8.591 0.096 -6.368 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.046 -0.881 -4.226 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.252 -0.745 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.635 -2.391 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.711 -1.286 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.234 -1.383 -4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.682 0.827 -7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.988 2.313 -6.772 1.00 0.00 H new ATOM 455 N SER A 74 -8.980 -2.974 -3.470 1.00 0.00 N ATOM 456 CA SER A 74 -8.484 -4.266 -2.987 1.00 0.00 C ATOM 457 C SER A 74 -9.607 -5.191 -2.505 1.00 0.00 C ATOM 458 O SER A 74 -9.367 -6.374 -2.261 1.00 0.00 O ATOM 459 CB SER A 74 -7.483 -4.037 -1.856 1.00 0.00 C ATOM 460 OG SER A 74 -6.176 -4.400 -2.258 1.00 0.00 O ATOM 0 H SER A 74 -9.269 -2.333 -2.731 1.00 0.00 H new ATOM 0 HA SER A 74 -8.001 -4.763 -3.829 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.498 -2.989 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.775 -4.621 -0.983 1.00 0.00 H new ATOM 0 HG SER A 74 -5.787 -3.679 -2.795 1.00 0.00 H new ATOM 466 N ALA A 75 -10.824 -4.652 -2.358 1.00 0.00 N ATOM 467 CA ALA A 75 -11.973 -5.436 -1.894 1.00 0.00 C ATOM 468 C ALA A 75 -11.892 -5.710 -0.386 1.00 0.00 C ATOM 469 O ALA A 75 -10.812 -5.672 0.207 1.00 0.00 O ATOM 470 CB ALA A 75 -12.076 -6.742 -2.674 1.00 0.00 C ATOM 0 H ALA A 75 -11.037 -3.674 -2.554 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.874 -4.850 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.934 -7.312 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.201 -6.524 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.167 -7.325 -2.528 1.00 0.00 H new ATOM 476 N PRO A 76 -13.044 -5.986 0.259 1.00 0.00 N ATOM 477 CA PRO A 76 -13.100 -6.260 1.704 1.00 0.00 C ATOM 478 C PRO A 76 -12.342 -7.531 2.095 1.00 0.00 C ATOM 479 O PRO A 76 -12.789 -8.643 1.809 1.00 0.00 O ATOM 480 CB PRO A 76 -14.602 -6.421 1.977 1.00 0.00 C ATOM 481 CG PRO A 76 -15.187 -6.796 0.661 1.00 0.00 C ATOM 482 CD PRO A 76 -14.381 -6.051 -0.362 1.00 0.00 C ATOM 0 HA PRO A 76 -12.629 -5.467 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.788 -7.190 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.037 -5.496 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.130 -7.872 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.240 -6.521 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.358 -6.574 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.787 -5.058 -0.552 1.00 0.00 H new ATOM 490 N GLY A 77 -11.192 -7.356 2.750 1.00 0.00 N ATOM 491 CA GLY A 77 -10.393 -8.495 3.171 1.00 0.00 C ATOM 492 C GLY A 77 -9.476 -8.996 2.075 1.00 0.00 C ATOM 493 O GLY A 77 -9.831 -9.919 1.343 1.00 0.00 O ATOM 0 H GLY A 77 -10.802 -6.446 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.797 -8.215 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.054 -9.303 3.485 1.00 0.00 H new ATOM 497 N ALA A 78 -8.297 -8.389 1.952 1.00 0.00 N ATOM 498 CA ALA A 78 -7.340 -8.790 0.926 1.00 0.00 C ATOM 499 C ALA A 78 -5.921 -8.311 1.235 1.00 0.00 C ATOM 500 O ALA A 78 -5.718 -7.215 1.763 1.00 0.00 O ATOM 501 CB ALA A 78 -7.785 -8.271 -0.434 1.00 0.00 C ATOM 0 H ALA A 78 -7.984 -7.622 2.547 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.316 -9.880 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.064 -8.575 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.764 -8.682 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.845 -7.183 -0.406 1.00 0.00 H new ATOM 507 N LEU A 79 -4.949 -9.142 0.886 1.00 0.00 N ATOM 508 CA LEU A 79 -3.537 -8.830 1.093 1.00 0.00 C ATOM 509 C LEU A 79 -2.896 -8.365 -0.219 1.00 0.00 C ATOM 510 O LEU A 79 -3.177 -8.919 -1.283 1.00 0.00 O ATOM 511 CB LEU A 79 -2.805 -10.062 1.637 1.00 0.00 C ATOM 512 CG LEU A 79 -1.402 -9.799 2.189 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.033 -10.851 3.222 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.381 -9.778 1.063 1.00 0.00 C ATOM 0 H LEU A 79 -5.114 -10.050 0.452 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.457 -8.022 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.411 -10.505 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.731 -10.802 0.840 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.399 -8.823 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.032 -10.650 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.749 -10.821 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.053 -11.838 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.611 -9.590 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.385 -10.740 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.636 -8.989 0.355 1.00 0.00 H new ATOM 526 N VAL A 80 -2.049 -7.339 -0.142 1.00 0.00 N ATOM 527 CA VAL A 80 -1.390 -6.800 -1.335 1.00 0.00 C ATOM 528 C VAL A 80 0.116 -6.596 -1.122 1.00 0.00 C ATOM 529 O VAL A 80 0.549 -6.088 -0.085 1.00 0.00 O ATOM 530 CB VAL A 80 -2.031 -5.462 -1.769 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.260 -4.837 -2.922 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.488 -5.670 -2.158 1.00 0.00 C ATOM 0 H VAL A 80 -1.803 -6.866 0.727 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.527 -7.540 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.990 -4.778 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.732 -3.897 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.232 -4.648 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.263 -5.518 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.923 -4.718 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.546 -6.375 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.039 -6.066 -1.305 1.00 0.00 H new ATOM 542 N GLU A 81 0.905 -6.985 -2.128 1.00 0.00 N ATOM 543 CA GLU A 81 2.364 -6.835 -2.079 1.00 0.00 C ATOM 544 C GLU A 81 2.761 -5.359 -2.197 1.00 0.00 C ATOM 545 O GLU A 81 1.914 -4.504 -2.473 1.00 0.00 O ATOM 546 CB GLU A 81 3.019 -7.650 -3.202 1.00 0.00 C ATOM 547 CG GLU A 81 4.359 -8.270 -2.814 1.00 0.00 C ATOM 548 CD GLU A 81 5.542 -7.545 -3.422 1.00 0.00 C ATOM 549 OE1 GLU A 81 5.904 -7.860 -4.575 1.00 0.00 O ATOM 550 OE2 GLU A 81 6.105 -6.662 -2.741 1.00 0.00 O ATOM 0 H GLU A 81 0.557 -7.407 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 81 2.716 -7.211 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.337 -8.444 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.165 -7.005 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.455 -8.265 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.376 -9.313 -3.131 1.00 0.00 H new ATOM 557 N ARG A 82 4.044 -5.061 -1.983 1.00 0.00 N ATOM 558 CA ARG A 82 4.529 -3.682 -2.063 1.00 0.00 C ATOM 559 C ARG A 82 6.006 -3.572 -1.679 1.00 0.00 C ATOM 560 O ARG A 82 6.417 -4.061 -0.629 1.00 0.00 O ATOM 561 CB ARG A 82 3.709 -2.788 -1.126 1.00 0.00 C ATOM 562 CG ARG A 82 3.286 -1.465 -1.744 1.00 0.00 C ATOM 563 CD ARG A 82 4.378 -0.403 -1.650 1.00 0.00 C ATOM 564 NE ARG A 82 5.214 -0.543 -0.452 1.00 0.00 N ATOM 565 CZ ARG A 82 4.809 -0.282 0.783 1.00 0.00 C ATOM 566 NH1 ARG A 82 3.569 0.080 1.021 1.00 0.00 N ATOM 567 NH2 ARG A 82 5.656 -0.400 1.783 1.00 0.00 N ATOM 0 H ARG A 82 4.761 -5.750 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 82 4.417 -3.358 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.818 -3.331 -0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.294 -2.587 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.026 -1.623 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.388 -1.104 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.010 -0.461 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.917 0.585 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 82 6.174 -0.864 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.905 0.163 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.270 0.278 1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.617 -0.691 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.351 -0.201 2.736 1.00 0.00 H new ATOM 581 N PRO A 83 6.826 -2.897 -2.510 1.00 0.00 N ATOM 582 CA PRO A 83 8.250 -2.701 -2.210 1.00 0.00 C ATOM 583 C PRO A 83 8.439 -1.843 -0.953 1.00 0.00 C ATOM 584 O PRO A 83 7.462 -1.368 -0.362 1.00 0.00 O ATOM 585 CB PRO A 83 8.783 -1.977 -3.452 1.00 0.00 C ATOM 586 CG PRO A 83 7.586 -1.326 -4.055 1.00 0.00 C ATOM 587 CD PRO A 83 6.435 -2.251 -3.776 1.00 0.00 C ATOM 0 HA PRO A 83 8.770 -3.637 -2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.542 -1.241 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.247 -2.675 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.413 -0.343 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.719 -1.179 -5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.495 -1.707 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.300 -2.979 -4.576 1.00 0.00 H new ATOM 595 N CYS A 84 9.679 -1.636 -0.539 1.00 0.00 N ATOM 596 CA CYS A 84 9.945 -0.829 0.653 1.00 0.00 C ATOM 597 C CYS A 84 9.962 0.669 0.336 1.00 0.00 C ATOM 598 O CYS A 84 10.277 1.075 -0.785 1.00 0.00 O ATOM 599 CB CYS A 84 11.259 -1.253 1.306 1.00 0.00 C ATOM 600 SG CYS A 84 11.026 -2.323 2.760 1.00 0.00 S ATOM 0 H CYS A 84 10.510 -2.007 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 84 9.130 -1.006 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.869 -1.778 0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.813 -0.363 1.603 1.00 0.00 H new ATOM 605 N PRO A 85 9.618 1.509 1.335 1.00 0.00 N ATOM 606 CA PRO A 85 9.587 2.973 1.179 1.00 0.00 C ATOM 607 C PRO A 85 10.926 3.540 0.712 1.00 0.00 C ATOM 608 O PRO A 85 11.965 3.260 1.306 1.00 0.00 O ATOM 609 CB PRO A 85 9.264 3.485 2.590 1.00 0.00 C ATOM 610 CG PRO A 85 9.538 2.335 3.498 1.00 0.00 C ATOM 611 CD PRO A 85 9.234 1.106 2.697 1.00 0.00 C ATOM 0 HA PRO A 85 8.864 3.277 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.882 4.345 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.225 3.806 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.576 2.338 3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.915 2.384 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.807 0.245 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.181 0.833 2.757 1.00 0.00 H new ATOM 619 N GLU A 86 10.893 4.347 -0.347 1.00 0.00 N ATOM 620 CA GLU A 86 12.111 4.957 -0.877 1.00 0.00 C ATOM 621 C GLU A 86 12.727 5.918 0.149 1.00 0.00 C ATOM 622 O GLU A 86 13.739 5.597 0.773 1.00 0.00 O ATOM 623 CB GLU A 86 11.820 5.676 -2.199 1.00 0.00 C ATOM 624 CG GLU A 86 13.031 5.776 -3.114 1.00 0.00 C ATOM 625 CD GLU A 86 14.014 6.841 -2.672 1.00 0.00 C ATOM 626 OE1 GLU A 86 13.609 8.016 -2.568 1.00 0.00 O ATOM 627 OE2 GLU A 86 15.193 6.503 -2.432 1.00 0.00 O ATOM 0 H GLU A 86 10.042 4.593 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 86 12.836 4.167 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.022 5.149 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.453 6.680 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.537 4.811 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.697 5.994 -4.128 1.00 0.00 H new ATOM 634 N TYR A 87 12.107 7.085 0.340 1.00 0.00 N ATOM 635 CA TYR A 87 12.607 8.056 1.311 1.00 0.00 C ATOM 636 C TYR A 87 11.490 8.563 2.226 1.00 0.00 C ATOM 637 O TYR A 87 10.973 9.668 2.051 1.00 0.00 O ATOM 638 CB TYR A 87 13.295 9.235 0.613 1.00 0.00 C ATOM 639 CG TYR A 87 14.286 9.936 1.513 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.852 10.751 2.550 1.00 0.00 C ATOM 641 CD2 TYR A 87 15.650 9.757 1.346 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.752 11.372 3.393 1.00 0.00 C ATOM 643 CE2 TYR A 87 16.558 10.370 2.191 1.00 0.00 C ATOM 644 CZ TYR A 87 16.101 11.177 3.210 1.00 0.00 C ATOM 645 OH TYR A 87 16.998 11.771 4.062 1.00 0.00 O ATOM 0 H TYR A 87 11.267 7.377 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 87 13.344 7.541 1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.808 8.877 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 87 12.541 9.949 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.793 10.902 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.010 9.129 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.399 12.007 4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 87 17.618 10.217 2.053 1.00 0.00 H new ATOM 0 HH TYR A 87 17.428 11.085 4.614 1.00 0.00 H new ATOM 655 N PHE A 88 11.127 7.743 3.211 1.00 0.00 N ATOM 656 CA PHE A 88 10.075 8.098 4.166 1.00 0.00 C ATOM 657 C PHE A 88 10.456 7.698 5.600 1.00 0.00 C ATOM 658 O PHE A 88 9.584 7.495 6.447 1.00 0.00 O ATOM 659 CB PHE A 88 8.750 7.430 3.769 1.00 0.00 C ATOM 660 CG PHE A 88 8.356 7.666 2.335 1.00 0.00 C ATOM 661 CD1 PHE A 88 7.592 8.767 1.984 1.00 0.00 C ATOM 662 CD2 PHE A 88 8.755 6.789 1.340 1.00 0.00 C ATOM 663 CE1 PHE A 88 7.233 8.987 0.669 1.00 0.00 C ATOM 664 CE2 PHE A 88 8.400 7.005 0.022 1.00 0.00 C ATOM 665 CZ PHE A 88 7.638 8.106 -0.314 1.00 0.00 C ATOM 0 H PHE A 88 11.546 6.827 3.370 1.00 0.00 H new ATOM 0 HA PHE A 88 9.955 9.181 4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.829 6.357 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.958 7.801 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.274 9.461 2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.351 5.926 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.635 9.848 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.718 6.313 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.359 8.278 -1.343 1.00 0.00 H new ATOM 675 N ASN A 89 11.763 7.583 5.866 1.00 0.00 N ATOM 676 CA ASN A 89 12.249 7.202 7.195 1.00 0.00 C ATOM 677 C ASN A 89 13.697 7.665 7.420 1.00 0.00 C ATOM 678 O ASN A 89 14.546 6.886 7.863 1.00 0.00 O ATOM 679 CB ASN A 89 12.145 5.681 7.373 1.00 0.00 C ATOM 680 CG ASN A 89 11.435 5.294 8.657 1.00 0.00 C ATOM 681 OD1 ASN A 89 12.155 4.666 9.574 1.00 0.00 O flip ATOM 682 ND2 ASN A 89 10.245 5.550 8.819 1.00 0.00 N flip ATOM 0 H ASN A 89 12.500 7.748 5.180 1.00 0.00 H new ATOM 0 HA ASN A 89 11.623 7.697 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.611 5.255 6.524 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.146 5.249 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.724 6.036 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.778 5.277 9.684 1.00 0.00 H new ATOM 689 N GLY A 90 13.975 8.935 7.118 1.00 0.00 N ATOM 690 CA GLY A 90 15.322 9.477 7.302 1.00 0.00 C ATOM 691 C GLY A 90 16.314 9.009 6.246 1.00 0.00 C ATOM 692 O GLY A 90 16.956 9.830 5.588 1.00 0.00 O ATOM 0 H GLY A 90 13.295 9.600 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.272 10.566 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.689 9.190 8.287 1.00 0.00 H new ATOM 696 N ILE A 91 16.443 7.691 6.092 1.00 0.00 N ATOM 697 CA ILE A 91 17.363 7.103 5.115 1.00 0.00 C ATOM 698 C ILE A 91 16.597 6.429 3.969 1.00 0.00 C ATOM 699 O ILE A 91 15.411 6.115 4.104 1.00 0.00 O ATOM 700 CB ILE A 91 18.296 6.067 5.789 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.497 5.744 4.896 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.533 4.792 6.121 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.518 4.851 5.563 1.00 0.00 C ATOM 0 H ILE A 91 15.918 7.005 6.635 1.00 0.00 H new ATOM 0 HA ILE A 91 17.965 7.915 4.707 1.00 0.00 H new ATOM 0 HB ILE A 91 18.666 6.506 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.143 5.262 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.979 6.675 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.207 4.077 6.594 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.715 5.025 6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.131 4.360 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.342 4.662 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.899 5.340 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.050 3.905 5.837 1.00 0.00 H new ATOM 715 N LYS A 92 17.283 6.198 2.851 1.00 0.00 N ATOM 716 CA LYS A 92 16.668 5.552 1.695 1.00 0.00 C ATOM 717 C LYS A 92 16.554 4.044 1.917 1.00 0.00 C ATOM 718 O LYS A 92 17.437 3.279 1.529 1.00 0.00 O ATOM 719 CB LYS A 92 17.482 5.835 0.428 1.00 0.00 C ATOM 720 CG LYS A 92 17.566 7.311 0.074 1.00 0.00 C ATOM 721 CD LYS A 92 18.740 7.595 -0.852 1.00 0.00 C ATOM 722 CE LYS A 92 18.464 7.112 -2.267 1.00 0.00 C ATOM 723 NZ LYS A 92 17.260 7.770 -2.854 1.00 0.00 N ATOM 0 H LYS A 92 18.263 6.448 2.722 1.00 0.00 H new ATOM 0 HA LYS A 92 15.666 5.962 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.491 5.444 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.037 5.295 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.639 7.625 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.669 7.900 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.943 8.666 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.635 7.105 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.331 7.315 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.320 6.032 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.469 8.071 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.466 7.098 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.005 8.601 -2.282 1.00 0.00 H new ATOM 737 N TYR A 93 15.462 3.618 2.545 1.00 0.00 N ATOM 738 CA TYR A 93 15.248 2.197 2.812 1.00 0.00 C ATOM 739 C TYR A 93 15.311 1.392 1.512 1.00 0.00 C ATOM 740 O TYR A 93 14.857 1.852 0.462 1.00 0.00 O ATOM 741 CB TYR A 93 13.904 1.976 3.512 1.00 0.00 C ATOM 742 CG TYR A 93 13.952 2.191 5.012 1.00 0.00 C ATOM 743 CD1 TYR A 93 14.698 3.225 5.566 1.00 0.00 C ATOM 744 CD2 TYR A 93 13.253 1.357 5.874 1.00 0.00 C ATOM 745 CE1 TYR A 93 14.748 3.419 6.934 1.00 0.00 C ATOM 746 CE2 TYR A 93 13.297 1.546 7.243 1.00 0.00 C ATOM 747 CZ TYR A 93 14.046 2.576 7.765 1.00 0.00 C ATOM 748 OH TYR A 93 14.096 2.766 9.126 1.00 0.00 O ATOM 0 H TYR A 93 14.716 4.230 2.877 1.00 0.00 H new ATOM 0 HA TYR A 93 16.042 1.850 3.473 1.00 0.00 H new ATOM 0 HB2 TYR A 93 13.165 2.652 3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.563 0.961 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.249 3.889 4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.665 0.547 5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 93 15.334 4.226 7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.746 0.889 7.900 1.00 0.00 H new ATOM 0 HH TYR A 93 13.350 3.338 9.404 1.00 0.00 H new ATOM 758 N ASN A 94 15.889 0.196 1.585 1.00 0.00 N ATOM 759 CA ASN A 94 16.021 -0.661 0.405 1.00 0.00 C ATOM 760 C ASN A 94 14.652 -0.947 -0.219 1.00 0.00 C ATOM 761 O ASN A 94 13.915 -1.820 0.243 1.00 0.00 O ATOM 762 CB ASN A 94 16.730 -1.969 0.766 1.00 0.00 C ATOM 763 CG ASN A 94 17.461 -2.579 -0.415 1.00 0.00 C ATOM 764 OD1 ASN A 94 17.185 -2.256 -1.568 1.00 0.00 O ATOM 765 ND2 ASN A 94 18.404 -3.463 -0.133 1.00 0.00 N ATOM 0 H ASN A 94 16.272 -0.202 2.442 1.00 0.00 H new ATOM 0 HA ASN A 94 16.626 -0.132 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.440 -1.783 1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.998 -2.683 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.932 -3.903 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.603 -3.704 0.838 1.00 0.00 H new ATOM 772 N THR A 95 14.320 -0.187 -1.263 1.00 0.00 N ATOM 773 CA THR A 95 13.037 -0.319 -1.967 1.00 0.00 C ATOM 774 C THR A 95 12.717 -1.767 -2.333 1.00 0.00 C ATOM 775 O THR A 95 11.628 -2.263 -2.029 1.00 0.00 O ATOM 776 CB THR A 95 13.040 0.537 -3.238 1.00 0.00 C ATOM 777 OG1 THR A 95 14.203 0.284 -4.010 1.00 0.00 O ATOM 778 CG2 THR A 95 12.991 2.024 -2.961 1.00 0.00 C ATOM 0 H THR A 95 14.928 0.536 -1.646 1.00 0.00 H new ATOM 0 HA THR A 95 12.264 0.029 -1.282 1.00 0.00 H new ATOM 0 HB THR A 95 12.136 0.254 -3.777 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.186 0.838 -4.818 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.996 2.570 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.082 2.261 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.860 2.313 -2.370 1.00 0.00 H new ATOM 786 N THR A 96 13.656 -2.433 -2.995 1.00 0.00 N ATOM 787 CA THR A 96 13.462 -3.827 -3.419 1.00 0.00 C ATOM 788 C THR A 96 13.362 -4.788 -2.222 1.00 0.00 C ATOM 789 O THR A 96 14.283 -5.553 -1.935 1.00 0.00 O ATOM 790 CB THR A 96 14.582 -4.261 -4.380 1.00 0.00 C ATOM 791 OG1 THR A 96 14.364 -5.585 -4.832 1.00 0.00 O ATOM 792 CG2 THR A 96 15.971 -4.208 -3.776 1.00 0.00 C ATOM 0 H THR A 96 14.560 -2.037 -3.252 1.00 0.00 H new ATOM 0 HA THR A 96 12.510 -3.877 -3.948 1.00 0.00 H new ATOM 0 HB THR A 96 14.542 -3.542 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.085 -5.845 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.703 -4.529 -4.517 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.194 -3.187 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.017 -4.869 -2.911 1.00 0.00 H new ATOM 800 N ARG A 97 12.219 -4.743 -1.532 1.00 0.00 N ATOM 801 CA ARG A 97 11.974 -5.607 -0.373 1.00 0.00 C ATOM 802 C ARG A 97 10.482 -5.980 -0.267 1.00 0.00 C ATOM 803 O ARG A 97 9.748 -5.889 -1.252 1.00 0.00 O ATOM 804 CB ARG A 97 12.467 -4.919 0.908 1.00 0.00 C ATOM 805 CG ARG A 97 13.420 -5.780 1.729 1.00 0.00 C ATOM 806 CD ARG A 97 14.821 -5.803 1.129 1.00 0.00 C ATOM 807 NE ARG A 97 15.633 -6.906 1.664 1.00 0.00 N ATOM 808 CZ ARG A 97 16.123 -6.943 2.898 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.921 -5.941 3.725 1.00 0.00 N ATOM 810 NH2 ARG A 97 16.830 -7.978 3.299 1.00 0.00 N ATOM 0 H ARG A 97 11.447 -4.116 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 97 12.533 -6.534 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.968 -3.988 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.607 -4.654 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.468 -5.398 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.033 -6.797 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.750 -5.898 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.318 -4.855 1.333 1.00 0.00 H new ATOM 0 HE ARG A 97 15.833 -7.694 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.385 -5.128 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.300 -5.976 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.003 -8.755 2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.205 -8.003 4.247 1.00 0.00 H new ATOM 824 N ASN A 98 10.041 -6.417 0.918 1.00 0.00 N ATOM 825 CA ASN A 98 8.641 -6.819 1.120 1.00 0.00 C ATOM 826 C ASN A 98 7.854 -5.792 1.944 1.00 0.00 C ATOM 827 O ASN A 98 8.413 -5.097 2.792 1.00 0.00 O ATOM 828 CB ASN A 98 8.576 -8.183 1.822 1.00 0.00 C ATOM 829 CG ASN A 98 9.384 -9.260 1.121 1.00 0.00 C ATOM 830 OD1 ASN A 98 8.839 -10.073 0.381 1.00 0.00 O ATOM 831 ND2 ASN A 98 10.686 -9.281 1.360 1.00 0.00 N ATOM 0 H ASN A 98 10.628 -6.502 1.748 1.00 0.00 H new ATOM 0 HA ASN A 98 8.184 -6.882 0.132 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.938 -8.075 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.536 -8.502 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.273 -9.991 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.102 -8.587 1.982 1.00 0.00 H new ATOM 838 N ALA A 99 6.545 -5.728 1.692 1.00 0.00 N ATOM 839 CA ALA A 99 5.647 -4.814 2.407 1.00 0.00 C ATOM 840 C ALA A 99 4.181 -5.223 2.183 1.00 0.00 C ATOM 841 O ALA A 99 3.335 -4.405 1.818 1.00 0.00 O ATOM 842 CB ALA A 99 5.893 -3.377 1.964 1.00 0.00 C ATOM 0 H ALA A 99 6.078 -6.304 0.991 1.00 0.00 H new ATOM 0 HA ALA A 99 5.855 -4.877 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.220 -2.710 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.926 -3.102 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.710 -3.290 0.893 1.00 0.00 H new ATOM 848 N TYR A 100 3.910 -6.513 2.391 1.00 0.00 N ATOM 849 CA TYR A 100 2.575 -7.088 2.204 1.00 0.00 C ATOM 850 C TYR A 100 1.512 -6.379 3.051 1.00 0.00 C ATOM 851 O TYR A 100 1.444 -6.566 4.265 1.00 0.00 O ATOM 852 CB TYR A 100 2.601 -8.586 2.542 1.00 0.00 C ATOM 853 CG TYR A 100 3.746 -9.343 1.895 1.00 0.00 C ATOM 854 CD1 TYR A 100 3.709 -9.677 0.548 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.865 -9.719 2.633 1.00 0.00 C ATOM 856 CE1 TYR A 100 4.751 -10.366 -0.047 1.00 0.00 C ATOM 857 CE2 TYR A 100 5.911 -10.406 2.042 1.00 0.00 C ATOM 858 CZ TYR A 100 5.848 -10.726 0.703 1.00 0.00 C ATOM 859 OH TYR A 100 6.882 -11.413 0.111 1.00 0.00 O ATOM 0 H TYR A 100 4.610 -7.190 2.694 1.00 0.00 H new ATOM 0 HA TYR A 100 2.303 -6.948 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.666 -8.703 3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.659 -9.035 2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.852 -9.394 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.918 -9.471 3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.704 -10.620 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.773 -10.690 2.628 1.00 0.00 H new ATOM 0 HH TYR A 100 7.675 -10.839 0.069 1.00 0.00 H new ATOM 869 N ARG A 101 0.670 -5.580 2.392 1.00 0.00 N ATOM 870 CA ARG A 101 -0.409 -4.851 3.068 1.00 0.00 C ATOM 871 C ARG A 101 -1.702 -5.671 3.063 1.00 0.00 C ATOM 872 O ARG A 101 -1.869 -6.570 2.243 1.00 0.00 O ATOM 873 CB ARG A 101 -0.642 -3.496 2.388 1.00 0.00 C ATOM 874 CG ARG A 101 -1.472 -2.517 3.213 1.00 0.00 C ATOM 875 CD ARG A 101 -0.626 -1.368 3.728 1.00 0.00 C ATOM 876 NE ARG A 101 -1.208 -0.744 4.918 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.113 0.229 4.891 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.648 0.615 3.749 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.520 0.780 6.016 1.00 0.00 N ATOM 0 H ARG A 101 0.714 -5.420 1.386 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.111 -4.681 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.324 -3.041 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.140 -3.662 1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.287 -2.126 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.926 -3.042 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.374 -1.732 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.517 -0.619 2.944 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.898 -1.079 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.368 0.166 2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.342 1.363 3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.141 0.460 6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.214 1.527 5.996 1.00 0.00 H new ATOM 893 N GLU A 102 -2.611 -5.364 3.987 1.00 0.00 N ATOM 894 CA GLU A 102 -3.871 -6.088 4.079 1.00 0.00 C ATOM 895 C GLU A 102 -5.065 -5.147 4.210 1.00 0.00 C ATOM 896 O GLU A 102 -4.989 -4.105 4.863 1.00 0.00 O ATOM 897 CB GLU A 102 -3.832 -7.037 5.269 1.00 0.00 C ATOM 898 CG GLU A 102 -4.536 -8.362 5.027 1.00 0.00 C ATOM 899 CD GLU A 102 -4.100 -9.431 6.005 1.00 0.00 C ATOM 900 OE1 GLU A 102 -4.208 -9.193 7.227 1.00 0.00 O ATOM 901 OE2 GLU A 102 -3.631 -10.495 5.557 1.00 0.00 O ATOM 0 H GLU A 102 -2.497 -4.622 4.678 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.996 -6.652 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.792 -7.232 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.290 -6.546 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.614 -8.218 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.333 -8.698 4.010 1.00 0.00 H new ATOM 908 N CYS A 103 -6.168 -5.540 3.594 1.00 0.00 N ATOM 909 CA CYS A 103 -7.404 -4.760 3.637 1.00 0.00 C ATOM 910 C CYS A 103 -8.411 -5.413 4.578 1.00 0.00 C ATOM 911 O CYS A 103 -8.478 -6.639 4.671 1.00 0.00 O ATOM 912 CB CYS A 103 -8.011 -4.620 2.238 1.00 0.00 C ATOM 913 SG CYS A 103 -9.387 -3.428 2.151 1.00 0.00 S ATOM 0 H CYS A 103 -6.237 -6.402 3.053 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.162 -3.765 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.231 -4.312 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.366 -5.596 1.907 1.00 0.00 H new ATOM 918 N LEU A 104 -9.189 -4.591 5.272 1.00 0.00 N ATOM 919 CA LEU A 104 -10.191 -5.083 6.210 1.00 0.00 C ATOM 920 C LEU A 104 -11.534 -5.304 5.522 1.00 0.00 C ATOM 921 O LEU A 104 -11.997 -4.460 4.752 1.00 0.00 O ATOM 922 CB LEU A 104 -10.349 -4.098 7.372 1.00 0.00 C ATOM 923 CG LEU A 104 -9.728 -4.548 8.696 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.408 -5.808 9.206 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.233 -4.778 8.536 1.00 0.00 C ATOM 0 H LEU A 104 -9.145 -3.574 5.202 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.850 -6.044 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.902 -3.146 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.412 -3.916 7.531 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.878 -3.756 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.952 -6.112 10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.468 -5.611 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.292 -6.606 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.810 -5.097 9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.062 -5.550 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.754 -3.852 8.219 1.00 0.00 H new ATOM 937 N GLU A 105 -12.160 -6.444 5.819 1.00 0.00 N ATOM 938 CA GLU A 105 -13.464 -6.782 5.243 1.00 0.00 C ATOM 939 C GLU A 105 -14.465 -5.639 5.439 1.00 0.00 C ATOM 940 O GLU A 105 -15.394 -5.474 4.650 1.00 0.00 O ATOM 941 CB GLU A 105 -14.003 -8.071 5.868 1.00 0.00 C ATOM 942 CG GLU A 105 -14.035 -9.246 4.900 1.00 0.00 C ATOM 943 CD GLU A 105 -14.668 -10.487 5.501 1.00 0.00 C ATOM 944 OE1 GLU A 105 -15.819 -10.397 5.976 1.00 0.00 O ATOM 945 OE2 GLU A 105 -14.011 -11.547 5.494 1.00 0.00 O ATOM 0 H GLU A 105 -11.786 -7.149 6.454 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.331 -6.937 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.386 -8.335 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.011 -7.891 6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.588 -8.959 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.018 -9.479 4.585 1.00 0.00 H new ATOM 952 N ASN A 106 -14.251 -4.837 6.485 1.00 0.00 N ATOM 953 CA ASN A 106 -15.120 -3.694 6.776 1.00 0.00 C ATOM 954 C ASN A 106 -14.967 -2.585 5.718 1.00 0.00 C ATOM 955 O ASN A 106 -15.796 -1.677 5.641 1.00 0.00 O ATOM 956 CB ASN A 106 -14.801 -3.134 8.170 1.00 0.00 C ATOM 957 CG ASN A 106 -15.968 -3.251 9.135 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.952 -2.524 9.021 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.862 -4.160 10.094 1.00 0.00 N ATOM 0 H ASN A 106 -13.483 -4.958 7.145 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.152 -4.043 6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.942 -3.664 8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.515 -2.086 8.078 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.615 -4.276 10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.028 -4.744 10.153 1.00 0.00 H new ATOM 966 N GLY A 107 -13.902 -2.662 4.907 1.00 0.00 N ATOM 967 CA GLY A 107 -13.662 -1.659 3.874 1.00 0.00 C ATOM 968 C GLY A 107 -12.489 -0.741 4.194 1.00 0.00 C ATOM 969 O GLY A 107 -12.215 0.204 3.450 1.00 0.00 O ATOM 0 H GLY A 107 -13.202 -3.403 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.474 -2.161 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.562 -1.057 3.744 1.00 0.00 H new ATOM 973 N THR A 108 -11.792 -1.019 5.299 1.00 0.00 N ATOM 974 CA THR A 108 -10.644 -0.219 5.721 1.00 0.00 C ATOM 975 C THR A 108 -9.326 -0.932 5.406 1.00 0.00 C ATOM 976 O THR A 108 -9.309 -2.117 5.066 1.00 0.00 O ATOM 977 CB THR A 108 -10.727 0.067 7.224 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.844 -1.139 7.960 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.899 0.941 7.610 1.00 0.00 C ATOM 0 H THR A 108 -12.007 -1.799 5.920 1.00 0.00 H new ATOM 0 HA THR A 108 -10.668 0.720 5.168 1.00 0.00 H new ATOM 0 HB THR A 108 -9.803 0.595 7.461 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.894 -0.935 8.917 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.894 1.101 8.688 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.820 1.901 7.100 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.829 0.452 7.320 1.00 0.00 H new ATOM 987 N TRP A 109 -8.221 -0.208 5.534 1.00 0.00 N ATOM 988 CA TRP A 109 -6.902 -0.780 5.279 1.00 0.00 C ATOM 989 C TRP A 109 -6.234 -1.183 6.596 1.00 0.00 C ATOM 990 O TRP A 109 -6.257 -0.428 7.571 1.00 0.00 O ATOM 991 CB TRP A 109 -6.030 0.214 4.507 1.00 0.00 C ATOM 992 CG TRP A 109 -6.205 0.113 3.020 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.825 1.013 2.200 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.760 -0.957 2.181 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.790 0.566 0.897 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.140 -0.643 0.863 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.074 -2.151 2.417 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.856 -1.482 -0.213 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.794 -2.981 1.351 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.184 -2.644 0.051 1.00 0.00 C ATOM 0 H TRP A 109 -8.210 0.773 5.812 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.020 -1.675 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.272 1.227 4.828 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.983 0.042 4.757 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.276 1.939 2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.182 1.053 0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.768 -2.420 3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.155 -1.224 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.265 -3.907 1.523 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.950 -3.315 -0.762 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.654 -2.381 6.623 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.996 -2.886 7.827 1.00 0.00 C ATOM 1013 C ALA A 110 -3.547 -2.402 7.934 1.00 0.00 C ATOM 1014 O ALA A 110 -2.984 -1.839 6.990 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.057 -4.410 7.858 1.00 0.00 C ATOM 0 H ALA A 110 -5.626 -3.019 5.828 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.532 -2.489 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.564 -4.776 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.098 -4.733 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.552 -4.812 6.980 1.00 0.00 H new ATOM 1021 N SER A 111 -2.950 -2.625 9.100 1.00 0.00 N ATOM 1022 CA SER A 111 -1.570 -2.218 9.362 1.00 0.00 C ATOM 1023 C SER A 111 -0.614 -3.406 9.233 1.00 0.00 C ATOM 1024 O SER A 111 0.277 -3.593 10.063 1.00 0.00 O ATOM 1025 CB SER A 111 -1.456 -1.593 10.761 1.00 0.00 C ATOM 1026 OG SER A 111 -2.693 -1.659 11.460 1.00 0.00 O ATOM 0 H SER A 111 -3.404 -3.090 9.887 1.00 0.00 H new ATOM 0 HA SER A 111 -1.289 -1.473 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.686 -2.112 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.141 -0.553 10.672 1.00 0.00 H new ATOM 0 HG SER A 111 -2.589 -1.256 12.347 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.814 -4.210 8.192 1.00 0.00 N ATOM 1033 CA ARG A 112 0.025 -5.384 7.956 1.00 0.00 C ATOM 1034 C ARG A 112 1.440 -4.974 7.510 1.00 0.00 C ATOM 1035 O ARG A 112 2.309 -4.745 8.352 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.655 -6.320 6.939 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.185 -7.765 7.022 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.287 -8.682 7.539 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.941 -9.287 8.829 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.801 -9.930 9.614 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -3.069 -10.051 9.270 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -1.387 -10.451 10.751 1.00 0.00 N ATOM 0 H ARG A 112 -1.549 -4.071 7.498 1.00 0.00 H new ATOM 0 HA ARG A 112 0.139 -5.932 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.733 -6.289 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.468 -5.945 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.137 -8.101 6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.682 -7.830 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.212 -8.114 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.475 -9.469 6.809 1.00 0.00 H new ATOM 0 HE ARG A 112 0.025 -9.209 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.400 -9.649 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.718 -10.547 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.409 -10.361 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.044 -10.945 11.355 1.00 0.00 H new ATOM 1056 N VAL A 113 1.665 -4.887 6.195 1.00 0.00 N ATOM 1057 CA VAL A 113 2.968 -4.510 5.627 1.00 0.00 C ATOM 1058 C VAL A 113 4.108 -5.385 6.183 1.00 0.00 C ATOM 1059 O VAL A 113 3.870 -6.340 6.927 1.00 0.00 O ATOM 1060 CB VAL A 113 3.256 -2.999 5.842 1.00 0.00 C ATOM 1061 CG1 VAL A 113 4.117 -2.746 7.067 1.00 0.00 C ATOM 1062 CG2 VAL A 113 3.907 -2.398 4.603 1.00 0.00 C ATOM 0 H VAL A 113 0.950 -5.076 5.492 1.00 0.00 H new ATOM 0 HA VAL A 113 2.920 -4.690 4.553 1.00 0.00 H new ATOM 0 HB VAL A 113 2.297 -2.511 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.291 -1.675 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.607 -3.122 7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.072 -3.259 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.102 -1.339 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.847 -2.912 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.239 -2.513 3.749 1.00 0.00 H new ATOM 1072 N ASN A 114 5.347 -5.069 5.810 1.00 0.00 N ATOM 1073 CA ASN A 114 6.496 -5.840 6.274 1.00 0.00 C ATOM 1074 C ASN A 114 7.723 -4.950 6.453 1.00 0.00 C ATOM 1075 O ASN A 114 8.615 -4.916 5.608 1.00 0.00 O ATOM 1076 CB ASN A 114 6.801 -6.988 5.305 1.00 0.00 C ATOM 1077 CG ASN A 114 7.665 -8.059 5.939 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.789 -8.301 5.508 1.00 0.00 O ATOM 1079 ND2 ASN A 114 7.143 -8.712 6.965 1.00 0.00 N ATOM 0 H ASN A 114 5.579 -4.291 5.193 1.00 0.00 H new ATOM 0 HA ASN A 114 6.244 -6.263 7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.865 -7.432 4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.305 -6.592 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.678 -9.446 7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.205 -8.481 7.293 1.00 0.00 H new ATOM 1086 N TYR A 115 7.759 -4.234 7.569 1.00 0.00 N ATOM 1087 CA TYR A 115 8.876 -3.347 7.873 1.00 0.00 C ATOM 1088 C TYR A 115 10.022 -4.104 8.559 1.00 0.00 C ATOM 1089 O TYR A 115 11.129 -3.579 8.676 1.00 0.00 O ATOM 1090 CB TYR A 115 8.402 -2.196 8.761 1.00 0.00 C ATOM 1091 CG TYR A 115 7.392 -1.274 8.107 1.00 0.00 C ATOM 1092 CD1 TYR A 115 7.525 -0.883 6.780 1.00 0.00 C ATOM 1093 CD2 TYR A 115 6.307 -0.791 8.828 1.00 0.00 C ATOM 1094 CE1 TYR A 115 6.603 -0.037 6.191 1.00 0.00 C ATOM 1095 CE2 TYR A 115 5.382 0.054 8.244 1.00 0.00 C ATOM 1096 CZ TYR A 115 5.535 0.426 6.928 1.00 0.00 C ATOM 1097 OH TYR A 115 4.619 1.269 6.348 1.00 0.00 O ATOM 0 H TYR A 115 7.027 -4.250 8.280 1.00 0.00 H new ATOM 0 HA TYR A 115 9.254 -2.947 6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.963 -2.611 9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.268 -1.608 9.066 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.361 -1.245 6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.184 -1.080 9.861 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.720 0.259 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 115 4.543 0.420 8.818 1.00 0.00 H new ATOM 0 HH TYR A 115 4.585 2.110 6.850 1.00 0.00 H new ATOM 1107 N SER A 116 9.750 -5.338 9.005 1.00 0.00 N ATOM 1108 CA SER A 116 10.755 -6.171 9.677 1.00 0.00 C ATOM 1109 C SER A 116 12.067 -6.225 8.894 1.00 0.00 C ATOM 1110 O SER A 116 13.142 -6.257 9.489 1.00 0.00 O ATOM 1111 CB SER A 116 10.220 -7.594 9.891 1.00 0.00 C ATOM 1112 OG SER A 116 8.866 -7.708 9.474 1.00 0.00 O ATOM 0 H SER A 116 8.837 -5.783 8.911 1.00 0.00 H new ATOM 0 HA SER A 116 10.959 -5.711 10.644 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.834 -8.302 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.301 -7.860 10.945 1.00 0.00 H new ATOM 0 HG SER A 116 8.555 -8.625 9.621 1.00 0.00 H new ATOM 1118 N HIS A 117 11.979 -6.235 7.563 1.00 0.00 N ATOM 1119 CA HIS A 117 13.176 -6.279 6.733 1.00 0.00 C ATOM 1120 C HIS A 117 13.553 -4.874 6.248 1.00 0.00 C ATOM 1121 O HIS A 117 14.222 -4.135 6.967 1.00 0.00 O ATOM 1122 CB HIS A 117 12.983 -7.254 5.559 1.00 0.00 C ATOM 1123 CG HIS A 117 13.830 -8.482 5.661 1.00 0.00 C ATOM 1124 ND1 HIS A 117 15.165 -8.451 6.010 1.00 0.00 N ATOM 1125 CD2 HIS A 117 13.525 -9.783 5.454 1.00 0.00 C ATOM 1126 CE1 HIS A 117 15.644 -9.682 6.013 1.00 0.00 C ATOM 1127 NE2 HIS A 117 14.669 -10.510 5.680 1.00 0.00 N ATOM 0 H HIS A 117 11.101 -6.213 7.045 1.00 0.00 H new ATOM 0 HA HIS A 117 14.005 -6.649 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.935 -7.548 5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.214 -6.739 4.627 1.00 0.00 H new ATOM 0 HD1 HIS A 117 15.698 -7.610 6.231 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.562 -10.177 5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 117 16.660 -9.964 6.248 1.00 0.00 H new ATOM 1136 N CYS A 118 13.105 -4.498 5.045 1.00 0.00 N ATOM 1137 CA CYS A 118 13.388 -3.180 4.479 1.00 0.00 C ATOM 1138 C CYS A 118 14.896 -2.900 4.389 1.00 0.00 C ATOM 1139 O CYS A 118 15.466 -2.946 3.299 1.00 0.00 O ATOM 1140 CB CYS A 118 12.682 -2.096 5.289 1.00 0.00 C ATOM 1141 SG CYS A 118 11.483 -1.117 4.328 1.00 0.00 S ATOM 0 H CYS A 118 12.540 -5.096 4.442 1.00 0.00 H new ATOM 0 HA CYS A 118 13.002 -3.169 3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.166 -2.562 6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.431 -1.424 5.709 1.00 0.00 H new ATOM 1146 N GLU A 119 15.528 -2.638 5.539 1.00 0.00 N ATOM 1147 CA GLU A 119 16.956 -2.368 5.621 1.00 0.00 C ATOM 1148 C GLU A 119 17.318 -1.006 5.005 1.00 0.00 C ATOM 1149 O GLU A 119 16.892 -0.674 3.894 1.00 0.00 O ATOM 1150 CB GLU A 119 17.739 -3.489 4.951 1.00 0.00 C ATOM 1151 CG GLU A 119 18.373 -4.473 5.930 1.00 0.00 C ATOM 1152 CD GLU A 119 17.353 -5.311 6.680 1.00 0.00 C ATOM 1153 OE1 GLU A 119 16.769 -6.237 6.063 1.00 0.00 O ATOM 1154 OE2 GLU A 119 17.140 -5.050 7.880 1.00 0.00 O ATOM 0 H GLU A 119 15.054 -2.609 6.442 1.00 0.00 H new ATOM 0 HA GLU A 119 17.228 -2.326 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.073 -4.035 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.523 -3.052 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.047 -5.134 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.979 -3.921 6.648 1.00 0.00 H new ATOM 1161 N PRO A 120 18.111 -0.189 5.733 1.00 0.00 N ATOM 1162 CA PRO A 120 18.527 1.144 5.264 1.00 0.00 C ATOM 1163 C PRO A 120 19.573 1.084 4.149 1.00 0.00 C ATOM 1164 O PRO A 120 20.348 0.130 4.058 1.00 0.00 O ATOM 1165 CB PRO A 120 19.119 1.786 6.518 1.00 0.00 C ATOM 1166 CG PRO A 120 19.610 0.640 7.333 1.00 0.00 C ATOM 1167 CD PRO A 120 18.658 -0.496 7.070 1.00 0.00 C ATOM 0 HA PRO A 120 17.694 1.698 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.930 2.470 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.370 2.364 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.628 0.369 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.630 0.895 8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 120 19.169 -1.459 7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.872 -0.543 7.824 1.00 0.00 H new ATOM 1175 N ILE A 121 19.583 2.112 3.304 1.00 0.00 N ATOM 1176 CA ILE A 121 20.522 2.192 2.188 1.00 0.00 C ATOM 1177 C ILE A 121 20.934 3.645 1.918 1.00 0.00 C ATOM 1178 O ILE A 121 22.138 3.886 1.681 1.00 0.00 O ATOM 1179 CB ILE A 121 19.903 1.567 0.910 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.996 0.038 0.963 1.00 0.00 C ATOM 1181 CG2 ILE A 121 20.579 2.093 -0.349 1.00 0.00 C ATOM 1182 CD1 ILE A 121 21.417 -0.487 0.924 1.00 0.00 C ATOM 0 H ILE A 121 18.947 2.906 3.372 1.00 0.00 H new ATOM 0 HA ILE A 121 21.414 1.627 2.460 1.00 0.00 H new ATOM 0 HB ILE A 121 18.853 1.857 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 121 19.512 -0.315 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.440 -0.380 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 121 20.122 1.635 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.460 3.175 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.640 1.846 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 121 21.404 -1.576 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.899 -0.164 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 121 21.972 -0.098 1.778 1.00 0.00 H new TER 1194 ILE A 121