USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 72 HIS : no HD1:sc= 0.355 K(o=0.36,f=-2!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 GLN : amide:sc= 0.9 K(o=0.83,f=0.02) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -0.0676 F(o=0.02,f=0.83) USER MOD Set 3.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 TYR OH : rot 2:sc= 1.49 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 160:sc= 0.535 (180deg=0.0801) USER MOD Single : A 26 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.606 K(o=0.61,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0791) USER MOD Single : A 48 THR OG1 : rot -80:sc= 0.832 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 163:sc= -0.0151 (180deg=-0.286) USER MOD Single : A 54 HIS : no HD1:sc=-0.00821 X(o=-0.0082,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.924 K(o=0.92,f=-0.61) USER MOD Single : A 64 GLN : amide:sc= 0.135 X(o=0.13,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.23 K(o=1.2,f=-0.19) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0246 USER MOD Single : A 88 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -165:sc= -1.71 (180deg=-2.17!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.702 7.613 7.663 1.00 0.00 N ATOM 52 CA GLN A 26 10.097 7.171 6.317 1.00 0.00 C ATOM 53 C GLN A 26 11.551 7.588 5.982 1.00 0.00 C ATOM 54 O GLN A 26 12.259 8.122 6.836 1.00 0.00 O ATOM 55 CB GLN A 26 9.042 7.543 5.268 1.00 0.00 C ATOM 56 CG GLN A 26 8.868 6.377 4.271 1.00 0.00 C ATOM 57 CD GLN A 26 8.207 5.136 4.889 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.061 5.146 5.315 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.903 4.018 4.966 1.00 0.00 N ATOM 0 HA GLN A 26 10.121 6.081 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.092 7.763 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.345 8.446 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.267 6.717 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.845 6.099 3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.861 3.988 4.616 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.483 3.183 5.375 1.00 0.00 H new ATOM 68 N VAL A 27 12.036 7.271 4.777 1.00 0.00 N ATOM 69 CA VAL A 27 13.454 7.356 4.362 1.00 0.00 C ATOM 70 C VAL A 27 13.781 8.552 3.460 1.00 0.00 C ATOM 71 O VAL A 27 12.918 9.072 2.755 1.00 0.00 O ATOM 72 CB VAL A 27 13.839 6.013 3.691 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.290 5.931 3.196 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.659 4.839 4.670 1.00 0.00 C ATOM 0 H VAL A 27 11.432 6.933 4.028 1.00 0.00 H new ATOM 0 HA VAL A 27 14.053 7.530 5.256 1.00 0.00 H new ATOM 0 HB VAL A 27 13.171 5.955 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.465 4.956 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.467 6.712 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.970 6.067 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.935 3.908 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.296 4.991 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.618 4.786 4.987 1.00 0.00 H new ATOM 84 N ARG A 28 15.050 8.990 3.489 1.00 0.00 N ATOM 85 CA ARG A 28 15.604 10.040 2.626 1.00 0.00 C ATOM 86 C ARG A 28 16.316 9.494 1.371 1.00 0.00 C ATOM 87 O ARG A 28 17.088 8.540 1.491 1.00 0.00 O ATOM 88 CB ARG A 28 16.496 10.978 3.459 1.00 0.00 C ATOM 89 CG ARG A 28 17.785 10.384 4.046 1.00 0.00 C ATOM 90 CD ARG A 28 18.522 11.469 4.842 1.00 0.00 C ATOM 91 NE ARG A 28 19.744 10.945 5.481 1.00 0.00 N ATOM 92 CZ ARG A 28 20.622 11.646 6.178 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.507 12.934 6.349 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.647 11.054 6.723 1.00 0.00 N ATOM 0 H ARG A 28 15.740 8.609 4.136 1.00 0.00 H new ATOM 0 HA ARG A 28 14.770 10.618 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.770 11.827 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.899 11.369 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.549 9.539 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.422 10.006 3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.784 12.293 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.858 11.874 5.605 1.00 0.00 H new ATOM 0 HE ARG A 28 19.929 9.948 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.719 13.435 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.205 13.441 6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.773 10.048 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.323 11.597 7.260 1.00 0.00 H new ATOM 108 N PRO A 29 16.102 10.084 0.177 1.00 0.00 N ATOM 109 CA PRO A 29 16.885 9.781 -1.023 1.00 0.00 C ATOM 110 C PRO A 29 18.303 10.388 -0.944 1.00 0.00 C ATOM 111 O PRO A 29 18.582 11.248 -0.103 1.00 0.00 O ATOM 112 CB PRO A 29 16.053 10.343 -2.183 1.00 0.00 C ATOM 113 CG PRO A 29 15.318 11.533 -1.567 1.00 0.00 C ATOM 114 CD PRO A 29 15.112 11.113 -0.112 1.00 0.00 C ATOM 0 HA PRO A 29 17.061 8.713 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.686 10.652 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.356 9.600 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.905 12.449 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.369 11.721 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.235 11.965 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.103 10.731 0.040 1.00 0.00 H new ATOM 122 N LYS A 30 19.203 9.955 -1.840 1.00 0.00 N ATOM 123 CA LYS A 30 20.588 10.473 -1.947 1.00 0.00 C ATOM 124 C LYS A 30 20.612 11.957 -2.332 1.00 0.00 C ATOM 125 O LYS A 30 19.695 12.452 -2.977 1.00 0.00 O ATOM 126 CB LYS A 30 21.398 9.619 -2.953 1.00 0.00 C ATOM 127 CG LYS A 30 22.647 8.927 -2.380 1.00 0.00 C ATOM 128 CD LYS A 30 23.749 9.914 -1.951 1.00 0.00 C ATOM 129 CE LYS A 30 25.127 9.261 -1.770 1.00 0.00 C ATOM 130 NZ LYS A 30 25.167 8.287 -0.641 1.00 0.00 N ATOM 0 H LYS A 30 18.993 9.226 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 30 21.056 10.394 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.739 8.856 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.706 10.258 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.357 8.322 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.051 8.245 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.827 10.705 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.455 10.388 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.405 8.751 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.872 10.038 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.121 7.879 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.930 8.774 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.478 7.527 -0.813 1.00 0.00 H new ATOM 144 N LEU A 31 21.705 12.646 -2.017 1.00 0.00 N ATOM 145 CA LEU A 31 21.889 14.097 -2.184 1.00 0.00 C ATOM 146 C LEU A 31 21.542 14.648 -3.593 1.00 0.00 C ATOM 147 O LEU A 31 20.718 15.561 -3.661 1.00 0.00 O ATOM 148 CB LEU A 31 23.319 14.429 -1.704 1.00 0.00 C ATOM 149 CG LEU A 31 23.735 15.903 -1.829 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.835 16.838 -1.017 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.173 16.081 -1.345 1.00 0.00 C ATOM 0 H LEU A 31 22.528 12.194 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 31 21.157 14.624 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.411 14.131 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.024 13.822 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 31 23.641 16.166 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.173 17.867 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.807 16.749 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.883 16.565 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.461 17.128 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.246 15.775 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 31 25.839 15.467 -1.951 1.00 0.00 H new ATOM 163 N PRO A 32 22.067 14.115 -4.719 1.00 0.00 N ATOM 164 CA PRO A 32 21.700 14.590 -6.065 1.00 0.00 C ATOM 165 C PRO A 32 20.233 14.327 -6.445 1.00 0.00 C ATOM 166 O PRO A 32 19.663 15.074 -7.239 1.00 0.00 O ATOM 167 CB PRO A 32 22.653 13.877 -7.032 1.00 0.00 C ATOM 168 CG PRO A 32 23.136 12.650 -6.261 1.00 0.00 C ATOM 169 CD PRO A 32 23.141 13.133 -4.817 1.00 0.00 C ATOM 0 HA PRO A 32 21.794 15.675 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 32 22.144 13.592 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.486 14.521 -7.315 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.470 11.798 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 32 24.128 12.335 -6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.977 12.305 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 32 24.102 13.578 -4.557 1.00 0.00 H new ATOM 177 N LEU A 33 19.601 13.301 -5.860 1.00 0.00 N ATOM 178 CA LEU A 33 18.182 12.992 -6.076 1.00 0.00 C ATOM 179 C LEU A 33 17.318 13.970 -5.261 1.00 0.00 C ATOM 180 O LEU A 33 16.448 14.643 -5.807 1.00 0.00 O ATOM 181 CB LEU A 33 17.885 11.520 -5.687 1.00 0.00 C ATOM 182 CG LEU A 33 18.422 10.374 -6.572 1.00 0.00 C ATOM 183 CD1 LEU A 33 17.741 10.350 -7.931 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.931 10.392 -6.803 1.00 0.00 C ATOM 0 H LEU A 33 20.064 12.657 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 33 17.939 13.109 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.273 11.364 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.802 11.409 -5.632 1.00 0.00 H new ATOM 0 HG LEU A 33 18.188 9.477 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 33 18.145 9.531 -8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.669 10.208 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.921 11.294 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 33 20.212 9.550 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.213 11.324 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 33 20.447 10.315 -5.846 1.00 0.00 H new ATOM 196 N LEU A 34 17.626 14.119 -3.968 1.00 0.00 N ATOM 197 CA LEU A 34 16.995 15.060 -3.034 1.00 0.00 C ATOM 198 C LEU A 34 17.070 16.511 -3.533 1.00 0.00 C ATOM 199 O LEU A 34 16.125 17.268 -3.333 1.00 0.00 O ATOM 200 CB LEU A 34 17.711 14.904 -1.675 1.00 0.00 C ATOM 201 CG LEU A 34 17.138 15.740 -0.515 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.701 15.343 -0.170 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.000 15.527 0.728 1.00 0.00 C ATOM 0 H LEU A 34 18.355 13.562 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 34 15.933 14.832 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.682 13.853 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.760 15.170 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 34 17.141 16.783 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.341 15.960 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.063 15.492 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.674 14.294 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.600 16.116 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.993 14.471 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.023 15.842 0.520 1.00 0.00 H new ATOM 215 N LYS A 35 18.135 16.883 -4.256 1.00 0.00 N ATOM 216 CA LYS A 35 18.284 18.194 -4.905 1.00 0.00 C ATOM 217 C LYS A 35 17.093 18.577 -5.786 1.00 0.00 C ATOM 218 O LYS A 35 16.686 19.729 -5.765 1.00 0.00 O ATOM 219 CB LYS A 35 19.593 18.216 -5.725 1.00 0.00 C ATOM 220 CG LYS A 35 20.268 19.594 -5.667 1.00 0.00 C ATOM 221 CD LYS A 35 20.969 19.835 -4.314 1.00 0.00 C ATOM 222 CE LYS A 35 22.327 19.125 -4.167 1.00 0.00 C ATOM 223 NZ LYS A 35 23.399 19.764 -4.987 1.00 0.00 N ATOM 0 H LYS A 35 18.934 16.268 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 35 18.323 18.941 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.277 17.458 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.379 17.958 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.997 19.675 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.522 20.371 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.117 20.907 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.310 19.502 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.624 19.131 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.221 18.081 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.292 19.249 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.131 19.736 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.521 20.753 -4.689 1.00 0.00 H new ATOM 237 N ILE A 36 16.487 17.622 -6.494 1.00 0.00 N ATOM 238 CA ILE A 36 15.296 17.836 -7.345 1.00 0.00 C ATOM 239 C ILE A 36 14.081 18.202 -6.476 1.00 0.00 C ATOM 240 O ILE A 36 13.384 19.183 -6.722 1.00 0.00 O ATOM 241 CB ILE A 36 15.007 16.561 -8.151 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.251 16.114 -8.933 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.807 16.785 -9.080 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.999 17.201 -9.685 1.00 0.00 C ATOM 0 H ILE A 36 16.811 16.655 -6.498 1.00 0.00 H new ATOM 0 HA ILE A 36 15.489 18.659 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 36 14.754 15.758 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.943 15.643 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.949 15.349 -9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.611 15.875 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.929 17.039 -8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.027 17.601 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.856 16.765 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.334 17.661 -10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.344 17.959 -8.981 1.00 0.00 H new ATOM 256 N LEU A 37 13.866 17.416 -5.416 1.00 0.00 N ATOM 257 CA LEU A 37 12.768 17.565 -4.452 1.00 0.00 C ATOM 258 C LEU A 37 12.877 18.918 -3.726 1.00 0.00 C ATOM 259 O LEU A 37 11.901 19.655 -3.604 1.00 0.00 O ATOM 260 CB LEU A 37 12.813 16.392 -3.441 1.00 0.00 C ATOM 261 CG LEU A 37 12.338 15.006 -3.920 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.014 14.458 -5.175 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.577 14.001 -2.797 1.00 0.00 C ATOM 0 H LEU A 37 14.475 16.628 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 37 11.814 17.542 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.841 16.291 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.210 16.672 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 37 11.288 15.143 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.598 13.479 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.841 15.139 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.086 14.364 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.247 13.013 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.640 13.969 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.015 14.303 -1.913 1.00 0.00 H new ATOM 275 N HIS A 38 14.088 19.281 -3.299 1.00 0.00 N ATOM 276 CA HIS A 38 14.396 20.549 -2.628 1.00 0.00 C ATOM 277 C HIS A 38 14.323 21.747 -3.577 1.00 0.00 C ATOM 278 O HIS A 38 13.736 22.762 -3.207 1.00 0.00 O ATOM 279 CB HIS A 38 15.760 20.418 -1.929 1.00 0.00 C ATOM 280 CG HIS A 38 15.693 19.694 -0.598 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.675 19.733 0.398 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.625 18.985 -0.124 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.171 19.052 1.444 1.00 0.00 C ATOM 284 NE2 HIS A 38 14.938 18.598 1.159 1.00 0.00 N ATOM 0 H HIS A 38 14.907 18.684 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 38 13.635 20.750 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.447 19.887 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.175 21.413 -1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.710 18.769 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.685 18.893 2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.339 18.060 1.785 1.00 0.00 H new ATOM 292 N ALA A 39 14.771 21.601 -4.827 1.00 0.00 N ATOM 293 CA ALA A 39 14.634 22.607 -5.881 1.00 0.00 C ATOM 294 C ALA A 39 13.160 22.933 -6.180 1.00 0.00 C ATOM 295 O ALA A 39 12.852 24.040 -6.627 1.00 0.00 O ATOM 296 CB ALA A 39 15.375 22.108 -7.130 1.00 0.00 C ATOM 0 H ALA A 39 15.251 20.758 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 39 15.080 23.543 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.283 22.846 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.428 21.959 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.940 21.164 -7.458 1.00 0.00 H new ATOM 302 N ALA A 40 12.248 22.000 -5.877 1.00 0.00 N ATOM 303 CA ALA A 40 10.812 22.235 -5.918 1.00 0.00 C ATOM 304 C ALA A 40 10.216 22.807 -4.615 1.00 0.00 C ATOM 305 O ALA A 40 9.126 23.379 -4.664 1.00 0.00 O ATOM 306 CB ALA A 40 10.112 20.929 -6.297 1.00 0.00 C ATOM 0 H ALA A 40 12.497 21.052 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 40 10.641 23.008 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.035 21.090 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.461 20.600 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.341 20.165 -5.554 1.00 0.00 H new ATOM 312 N GLY A 41 10.876 22.632 -3.461 1.00 0.00 N ATOM 313 CA GLY A 41 10.350 22.981 -2.135 1.00 0.00 C ATOM 314 C GLY A 41 9.609 21.817 -1.463 1.00 0.00 C ATOM 315 O GLY A 41 8.377 21.815 -1.389 1.00 0.00 O ATOM 0 H GLY A 41 11.814 22.234 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.173 23.299 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.673 23.830 -2.230 1.00 0.00 H new ATOM 319 N ALA A 42 10.363 20.826 -0.974 1.00 0.00 N ATOM 320 CA ALA A 42 9.851 19.703 -0.180 1.00 0.00 C ATOM 321 C ALA A 42 9.591 20.079 1.296 1.00 0.00 C ATOM 322 O ALA A 42 10.063 21.110 1.783 1.00 0.00 O ATOM 323 CB ALA A 42 10.814 18.517 -0.305 1.00 0.00 C ATOM 0 H ALA A 42 11.371 20.782 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 42 8.877 19.420 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.438 17.680 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.892 18.220 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.798 18.807 0.064 1.00 0.00 H new ATOM 329 N GLN A 43 8.874 19.212 2.022 1.00 0.00 N ATOM 330 CA GLN A 43 8.469 19.420 3.426 1.00 0.00 C ATOM 331 C GLN A 43 9.351 18.641 4.432 1.00 0.00 C ATOM 332 O GLN A 43 8.901 18.250 5.512 1.00 0.00 O ATOM 333 CB GLN A 43 6.953 19.157 3.548 1.00 0.00 C ATOM 334 CG GLN A 43 6.293 19.905 4.722 1.00 0.00 C ATOM 335 CD GLN A 43 4.780 19.681 4.825 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.146 18.980 4.042 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.129 20.275 5.805 1.00 0.00 N ATOM 0 H GLN A 43 8.549 18.322 1.643 1.00 0.00 H new ATOM 0 HA GLN A 43 8.645 20.458 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.465 19.452 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.786 18.087 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.762 19.587 5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.487 20.972 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.633 20.863 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.121 20.147 5.899 1.00 0.00 H new ATOM 346 N GLY A 44 10.614 18.390 4.069 1.00 0.00 N ATOM 347 CA GLY A 44 11.585 17.643 4.881 1.00 0.00 C ATOM 348 C GLY A 44 12.709 16.992 4.069 1.00 0.00 C ATOM 349 O GLY A 44 12.991 17.376 2.933 1.00 0.00 O ATOM 0 H GLY A 44 11.000 18.708 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.025 18.319 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.058 16.868 5.438 1.00 0.00 H new ATOM 353 N GLU A 45 13.339 15.980 4.668 1.00 0.00 N ATOM 354 CA GLU A 45 14.303 15.072 4.019 1.00 0.00 C ATOM 355 C GLU A 45 13.796 13.620 3.922 1.00 0.00 C ATOM 356 O GLU A 45 14.244 12.885 3.048 1.00 0.00 O ATOM 357 CB GLU A 45 15.632 15.085 4.793 1.00 0.00 C ATOM 358 CG GLU A 45 16.415 16.396 4.665 1.00 0.00 C ATOM 359 CD GLU A 45 17.715 16.346 5.500 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.549 15.425 5.307 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.918 17.240 6.359 1.00 0.00 O ATOM 0 H GLU A 45 13.191 15.757 5.652 1.00 0.00 H new ATOM 0 HA GLU A 45 14.440 15.439 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.429 14.897 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.256 14.265 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.657 16.579 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.795 17.228 4.999 1.00 0.00 H new ATOM 368 N MET A 46 12.879 13.199 4.801 1.00 0.00 N ATOM 369 CA MET A 46 12.380 11.819 4.940 1.00 0.00 C ATOM 370 C MET A 46 10.931 11.725 4.435 1.00 0.00 C ATOM 371 O MET A 46 10.058 12.407 4.974 1.00 0.00 O ATOM 372 CB MET A 46 12.434 11.407 6.422 1.00 0.00 C ATOM 373 CG MET A 46 13.818 10.934 6.892 1.00 0.00 C ATOM 374 SD MET A 46 15.139 12.176 7.009 1.00 0.00 S ATOM 375 CE MET A 46 14.516 13.216 8.360 1.00 0.00 C ATOM 0 H MET A 46 12.443 13.837 5.466 1.00 0.00 H new ATOM 0 HA MET A 46 13.005 11.152 4.347 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.124 12.253 7.035 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.712 10.609 6.592 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.700 10.476 7.874 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.153 10.150 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.281 13.938 8.646 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.623 13.746 8.029 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.270 12.590 9.217 1.00 0.00 H new ATOM 385 N PHE A 47 10.660 10.877 3.434 1.00 0.00 N ATOM 386 CA PHE A 47 9.318 10.729 2.830 1.00 0.00 C ATOM 387 C PHE A 47 9.070 9.355 2.175 1.00 0.00 C ATOM 388 O PHE A 47 9.992 8.593 1.885 1.00 0.00 O ATOM 389 CB PHE A 47 9.029 11.844 1.801 1.00 0.00 C ATOM 390 CG PHE A 47 10.104 12.884 1.569 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.363 12.485 1.088 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.848 14.242 1.830 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.346 13.447 0.839 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.836 15.207 1.569 1.00 0.00 C ATOM 395 CZ PHE A 47 12.085 14.810 1.062 1.00 0.00 C ATOM 0 H PHE A 47 11.364 10.270 3.015 1.00 0.00 H new ATOM 0 HA PHE A 47 8.629 10.814 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.810 11.369 0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.123 12.363 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.570 11.440 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.892 14.544 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.314 13.140 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.636 16.251 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.842 15.549 0.845 1.00 0.00 H new ATOM 405 N THR A 48 7.796 9.051 1.920 1.00 0.00 N ATOM 406 CA THR A 48 7.318 7.895 1.128 1.00 0.00 C ATOM 407 C THR A 48 7.423 8.131 -0.381 1.00 0.00 C ATOM 408 O THR A 48 7.529 9.270 -0.822 1.00 0.00 O ATOM 409 CB THR A 48 5.859 7.563 1.490 1.00 0.00 C ATOM 410 OG1 THR A 48 5.052 8.706 1.389 1.00 0.00 O ATOM 411 CG2 THR A 48 5.694 6.993 2.890 1.00 0.00 C ATOM 0 H THR A 48 7.028 9.623 2.271 1.00 0.00 H new ATOM 0 HA THR A 48 7.967 7.056 1.379 1.00 0.00 H new ATOM 0 HB THR A 48 5.552 6.799 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.165 9.258 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.641 6.783 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.269 6.071 2.978 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.054 7.716 3.622 1.00 0.00 H new ATOM 419 N VAL A 49 7.313 7.064 -1.189 1.00 0.00 N ATOM 420 CA VAL A 49 7.310 7.064 -2.670 1.00 0.00 C ATOM 421 C VAL A 49 6.295 8.080 -3.197 1.00 0.00 C ATOM 422 O VAL A 49 6.602 8.882 -4.081 1.00 0.00 O ATOM 423 CB VAL A 49 7.018 5.650 -3.226 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.835 5.628 -4.750 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.185 4.708 -2.899 1.00 0.00 C ATOM 0 H VAL A 49 7.218 6.122 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 49 8.302 7.355 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 49 6.089 5.330 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.633 4.608 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.998 6.270 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.744 5.990 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.972 3.714 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.099 5.090 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.313 4.649 -1.818 1.00 0.00 H new ATOM 435 N LYS A 50 5.103 8.093 -2.587 1.00 0.00 N ATOM 436 CA LYS A 50 3.979 8.936 -2.980 1.00 0.00 C ATOM 437 C LYS A 50 4.204 10.424 -2.666 1.00 0.00 C ATOM 438 O LYS A 50 3.735 11.287 -3.404 1.00 0.00 O ATOM 439 CB LYS A 50 2.726 8.315 -2.347 1.00 0.00 C ATOM 440 CG LYS A 50 2.557 8.604 -0.852 1.00 0.00 C ATOM 441 CD LYS A 50 1.357 7.875 -0.239 1.00 0.00 C ATOM 442 CE LYS A 50 1.299 8.180 1.264 1.00 0.00 C ATOM 443 NZ LYS A 50 0.159 7.485 1.923 1.00 0.00 N ATOM 0 H LYS A 50 4.893 7.499 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 50 3.856 8.954 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.847 8.683 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.758 7.235 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.464 8.309 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.438 9.677 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.435 8.195 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.446 6.801 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.233 7.873 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.205 9.256 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.152 7.715 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.734 7.797 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.262 6.457 1.802 1.00 0.00 H new ATOM 457 N GLU A 51 4.970 10.722 -1.614 1.00 0.00 N ATOM 458 CA GLU A 51 5.435 12.074 -1.284 1.00 0.00 C ATOM 459 C GLU A 51 6.606 12.501 -2.183 1.00 0.00 C ATOM 460 O GLU A 51 6.533 13.559 -2.805 1.00 0.00 O ATOM 461 CB GLU A 51 5.837 12.140 0.196 1.00 0.00 C ATOM 462 CG GLU A 51 4.645 11.992 1.148 1.00 0.00 C ATOM 463 CD GLU A 51 5.123 11.823 2.604 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.744 10.774 2.913 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.862 12.723 3.439 1.00 0.00 O ATOM 0 H GLU A 51 5.292 10.016 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 51 4.616 12.770 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.562 11.353 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.334 13.091 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.002 12.869 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.045 11.130 0.855 1.00 0.00 H new ATOM 472 N VAL A 52 7.658 11.676 -2.329 1.00 0.00 N ATOM 473 CA VAL A 52 8.834 12.025 -3.145 1.00 0.00 C ATOM 474 C VAL A 52 8.471 12.332 -4.593 1.00 0.00 C ATOM 475 O VAL A 52 8.897 13.344 -5.151 1.00 0.00 O ATOM 476 CB VAL A 52 9.948 10.966 -3.122 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.632 10.908 -1.758 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.601 9.550 -3.525 1.00 0.00 C ATOM 0 H VAL A 52 7.717 10.758 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 52 9.222 12.926 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 52 10.602 11.334 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.415 10.149 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.073 11.879 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.898 10.654 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.491 8.924 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.831 9.160 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.231 9.544 -4.550 1.00 0.00 H new ATOM 488 N MET A 53 7.643 11.476 -5.187 1.00 0.00 N ATOM 489 CA MET A 53 7.181 11.644 -6.567 1.00 0.00 C ATOM 490 C MET A 53 6.261 12.868 -6.749 1.00 0.00 C ATOM 491 O MET A 53 6.294 13.490 -7.809 1.00 0.00 O ATOM 492 CB MET A 53 6.601 10.324 -7.102 1.00 0.00 C ATOM 493 CG MET A 53 5.179 9.994 -6.628 1.00 0.00 C ATOM 494 SD MET A 53 3.836 10.821 -7.522 1.00 0.00 S ATOM 495 CE MET A 53 3.959 9.998 -9.134 1.00 0.00 C ATOM 0 H MET A 53 7.272 10.645 -4.727 1.00 0.00 H new ATOM 0 HA MET A 53 8.044 11.879 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.604 10.360 -8.191 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.263 9.509 -6.808 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.032 8.917 -6.705 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.100 10.252 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.039 10.159 -9.696 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.801 10.410 -9.690 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.111 8.929 -8.986 1.00 0.00 H new ATOM 505 N HIS A 54 5.528 13.307 -5.716 1.00 0.00 N ATOM 506 CA HIS A 54 4.699 14.522 -5.792 1.00 0.00 C ATOM 507 C HIS A 54 5.555 15.776 -5.999 1.00 0.00 C ATOM 508 O HIS A 54 5.199 16.647 -6.795 1.00 0.00 O ATOM 509 CB HIS A 54 3.838 14.663 -4.530 1.00 0.00 C ATOM 510 CG HIS A 54 2.936 15.873 -4.567 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.704 15.953 -5.226 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.213 17.084 -3.999 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.269 17.212 -5.038 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.155 17.911 -4.306 1.00 0.00 N ATOM 0 H HIS A 54 5.492 12.836 -4.812 1.00 0.00 H new ATOM 0 HA HIS A 54 4.043 14.422 -6.657 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.230 13.766 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.488 14.727 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.089 17.342 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.339 17.606 -5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.060 18.887 -4.026 1.00 0.00 H new ATOM 522 N TYR A 55 6.728 15.839 -5.360 1.00 0.00 N ATOM 523 CA TYR A 55 7.683 16.925 -5.591 1.00 0.00 C ATOM 524 C TYR A 55 8.261 16.915 -7.014 1.00 0.00 C ATOM 525 O TYR A 55 8.585 17.987 -7.514 1.00 0.00 O ATOM 526 CB TYR A 55 8.808 16.913 -4.549 1.00 0.00 C ATOM 527 CG TYR A 55 8.338 16.888 -3.107 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.516 17.914 -2.606 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.696 15.813 -2.276 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.993 17.830 -1.300 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.202 15.738 -0.962 1.00 0.00 C ATOM 532 CZ TYR A 55 7.336 16.737 -0.473 1.00 0.00 C ATOM 533 OH TYR A 55 6.852 16.652 0.797 1.00 0.00 O ATOM 0 H TYR A 55 7.038 15.148 -4.677 1.00 0.00 H new ATOM 0 HA TYR A 55 7.121 17.853 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.439 16.042 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.432 17.794 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.285 18.769 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.353 15.041 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.331 18.600 -0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.487 14.913 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 55 7.189 15.835 1.221 1.00 0.00 H new ATOM 543 N LEU A 56 8.335 15.768 -7.709 1.00 0.00 N ATOM 544 CA LEU A 56 8.675 15.746 -9.143 1.00 0.00 C ATOM 545 C LEU A 56 7.565 16.414 -9.961 1.00 0.00 C ATOM 546 O LEU A 56 7.842 17.283 -10.782 1.00 0.00 O ATOM 547 CB LEU A 56 8.901 14.317 -9.675 1.00 0.00 C ATOM 548 CG LEU A 56 9.871 13.431 -8.892 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.961 12.050 -9.539 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.281 14.013 -8.802 1.00 0.00 C ATOM 0 H LEU A 56 8.165 14.847 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 56 9.610 16.296 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.936 13.812 -9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.262 14.390 -10.701 1.00 0.00 H new ATOM 0 HG LEU A 56 9.470 13.366 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.654 11.428 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.975 11.585 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.318 12.151 -10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.919 13.336 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.688 14.138 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.244 14.981 -8.302 1.00 0.00 H new ATOM 562 N GLY A 57 6.305 16.067 -9.686 1.00 0.00 N ATOM 563 CA GLY A 57 5.148 16.679 -10.338 1.00 0.00 C ATOM 564 C GLY A 57 5.101 18.196 -10.148 1.00 0.00 C ATOM 565 O GLY A 57 5.031 18.942 -11.128 1.00 0.00 O ATOM 0 H GLY A 57 6.059 15.351 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.173 16.450 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.235 16.238 -9.939 1.00 0.00 H new ATOM 569 N GLN A 58 5.289 18.678 -8.914 1.00 0.00 N ATOM 570 CA GLN A 58 5.347 20.118 -8.644 1.00 0.00 C ATOM 571 C GLN A 58 6.597 20.775 -9.254 1.00 0.00 C ATOM 572 O GLN A 58 6.502 21.904 -9.733 1.00 0.00 O ATOM 573 CB GLN A 58 5.162 20.412 -7.141 1.00 0.00 C ATOM 574 CG GLN A 58 6.459 20.701 -6.362 1.00 0.00 C ATOM 575 CD GLN A 58 6.234 20.807 -4.848 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.351 20.192 -4.266 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.047 21.556 -4.138 1.00 0.00 N ATOM 0 H GLN A 58 5.403 18.092 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 58 4.505 20.588 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.495 21.268 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.663 19.560 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.181 19.910 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.896 21.631 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.792 22.079 -4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.934 21.614 -3.126 1.00 0.00 H new ATOM 586 N TYR A 59 7.745 20.079 -9.295 1.00 0.00 N ATOM 587 CA TYR A 59 8.963 20.573 -9.937 1.00 0.00 C ATOM 588 C TYR A 59 8.707 20.827 -11.425 1.00 0.00 C ATOM 589 O TYR A 59 8.991 21.906 -11.928 1.00 0.00 O ATOM 590 CB TYR A 59 10.114 19.565 -9.777 1.00 0.00 C ATOM 591 CG TYR A 59 11.428 19.998 -10.390 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.665 19.772 -11.759 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.422 20.598 -9.596 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.907 20.106 -12.331 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.660 20.941 -10.168 1.00 0.00 C ATOM 596 CZ TYR A 59 13.913 20.678 -11.525 1.00 0.00 C ATOM 597 OH TYR A 59 15.114 21.032 -12.044 1.00 0.00 O ATOM 0 H TYR A 59 7.849 19.153 -8.880 1.00 0.00 H new ATOM 0 HA TYR A 59 9.247 21.507 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.269 19.378 -8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.814 18.618 -10.227 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.889 19.340 -12.374 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.235 20.795 -8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.088 19.925 -13.380 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.421 21.409 -9.561 1.00 0.00 H new ATOM 0 HH TYR A 59 15.119 20.856 -13.008 1.00 0.00 H new ATOM 607 N ILE A 60 8.112 19.868 -12.138 1.00 0.00 N ATOM 608 CA ILE A 60 7.794 20.017 -13.567 1.00 0.00 C ATOM 609 C ILE A 60 6.750 21.122 -13.759 1.00 0.00 C ATOM 610 O ILE A 60 6.877 21.928 -14.677 1.00 0.00 O ATOM 611 CB ILE A 60 7.298 18.679 -14.151 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.322 17.540 -13.969 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.982 18.811 -15.652 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.621 16.193 -13.799 1.00 0.00 C ATOM 0 H ILE A 60 7.836 18.968 -11.746 1.00 0.00 H new ATOM 0 HA ILE A 60 8.699 20.302 -14.104 1.00 0.00 H new ATOM 0 HB ILE A 60 6.393 18.430 -13.597 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.986 17.502 -14.833 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.945 17.742 -13.097 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.635 17.852 -16.036 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.206 19.562 -15.796 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.882 19.112 -16.188 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.367 15.408 -13.673 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.977 16.226 -12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.019 15.982 -14.683 1.00 0.00 H new ATOM 626 N MET A 61 5.754 21.210 -12.874 1.00 0.00 N ATOM 627 CA MET A 61 4.716 22.241 -12.932 1.00 0.00 C ATOM 628 C MET A 61 5.296 23.664 -12.811 1.00 0.00 C ATOM 629 O MET A 61 4.891 24.553 -13.561 1.00 0.00 O ATOM 630 CB MET A 61 3.671 21.953 -11.841 1.00 0.00 C ATOM 631 CG MET A 61 2.397 22.783 -12.011 1.00 0.00 C ATOM 632 SD MET A 61 1.489 22.452 -13.549 1.00 0.00 S ATOM 633 CE MET A 61 1.293 24.154 -14.140 1.00 0.00 C ATOM 0 H MET A 61 5.645 20.564 -12.092 1.00 0.00 H new ATOM 0 HA MET A 61 4.236 22.203 -13.910 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.415 20.894 -11.859 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.106 22.159 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.737 22.592 -11.165 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.659 23.840 -11.978 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.751 24.151 -15.086 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.735 24.733 -13.404 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.275 24.604 -14.286 1.00 0.00 H new ATOM 643 N VAL A 62 6.284 23.881 -11.928 1.00 0.00 N ATOM 644 CA VAL A 62 6.976 25.179 -11.788 1.00 0.00 C ATOM 645 C VAL A 62 8.018 25.411 -12.892 1.00 0.00 C ATOM 646 O VAL A 62 8.082 26.497 -13.468 1.00 0.00 O ATOM 647 CB VAL A 62 7.537 25.355 -10.360 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.733 24.477 -9.988 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.971 26.793 -10.095 1.00 0.00 C ATOM 0 H VAL A 62 6.628 23.164 -11.290 1.00 0.00 H new ATOM 0 HA VAL A 62 6.238 25.968 -11.931 1.00 0.00 H new ATOM 0 HB VAL A 62 6.689 25.048 -9.748 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.036 24.691 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.454 23.427 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.563 24.687 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.360 26.875 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.749 27.075 -10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.115 27.458 -10.211 1.00 0.00 H new ATOM 659 N LYS A 63 8.787 24.379 -13.257 1.00 0.00 N ATOM 660 CA LYS A 63 9.815 24.417 -14.321 1.00 0.00 C ATOM 661 C LYS A 63 9.273 24.303 -15.763 1.00 0.00 C ATOM 662 O LYS A 63 10.063 24.434 -16.694 1.00 0.00 O ATOM 663 CB LYS A 63 10.889 23.341 -14.068 1.00 0.00 C ATOM 664 CG LYS A 63 11.675 23.487 -12.758 1.00 0.00 C ATOM 665 CD LYS A 63 12.447 24.803 -12.600 1.00 0.00 C ATOM 666 CE LYS A 63 13.385 24.713 -11.385 1.00 0.00 C ATOM 667 NZ LYS A 63 14.691 24.071 -11.724 1.00 0.00 N ATOM 0 H LYS A 63 8.715 23.464 -12.811 1.00 0.00 H new ATOM 0 HA LYS A 63 10.251 25.414 -14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.407 22.363 -14.075 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.595 23.355 -14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.980 23.390 -11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.381 22.660 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.024 25.008 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.750 25.631 -12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.565 25.714 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.897 24.144 -10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.400 24.326 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.575 23.038 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.008 24.402 -12.657 1.00 0.00 H new ATOM 681 N GLN A 64 7.967 24.049 -15.952 1.00 0.00 N ATOM 682 CA GLN A 64 7.253 23.721 -17.199 1.00 0.00 C ATOM 683 C GLN A 64 8.084 22.881 -18.178 1.00 0.00 C ATOM 684 O GLN A 64 8.363 23.293 -19.307 1.00 0.00 O ATOM 685 CB GLN A 64 6.545 24.943 -17.805 1.00 0.00 C ATOM 686 CG GLN A 64 7.483 26.105 -18.150 1.00 0.00 C ATOM 687 CD GLN A 64 7.074 27.390 -17.436 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.574 28.337 -18.031 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.244 27.466 -16.131 1.00 0.00 N ATOM 0 H GLN A 64 7.323 24.070 -15.161 1.00 0.00 H new ATOM 0 HA GLN A 64 6.441 23.045 -16.931 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.020 24.634 -18.709 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.790 25.296 -17.103 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.504 25.843 -17.872 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.478 26.270 -19.227 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.659 26.684 -15.624 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.960 28.307 -15.628 1.00 0.00 H new ATOM 698 N LEU A 65 8.471 21.678 -17.731 1.00 0.00 N ATOM 699 CA LEU A 65 9.266 20.737 -18.524 1.00 0.00 C ATOM 700 C LEU A 65 8.362 19.762 -19.294 1.00 0.00 C ATOM 701 O LEU A 65 8.717 18.604 -19.479 1.00 0.00 O ATOM 702 CB LEU A 65 10.361 20.033 -17.686 1.00 0.00 C ATOM 703 CG LEU A 65 11.373 20.946 -16.973 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.384 20.090 -16.211 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.144 21.848 -17.937 1.00 0.00 C ATOM 0 H LEU A 65 8.238 21.330 -16.801 1.00 0.00 H new ATOM 0 HA LEU A 65 9.811 21.312 -19.272 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.870 19.415 -16.934 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.912 19.359 -18.342 1.00 0.00 H new ATOM 0 HG LEU A 65 10.799 21.583 -16.300 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.101 20.737 -15.706 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.862 19.481 -15.473 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.911 19.441 -16.910 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.842 22.468 -17.375 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.696 21.233 -18.648 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.444 22.487 -18.476 1.00 0.00 H new ATOM 717 N TYR A 66 7.165 20.200 -19.692 1.00 0.00 N ATOM 718 CA TYR A 66 6.182 19.383 -20.415 1.00 0.00 C ATOM 719 C TYR A 66 5.906 19.852 -21.858 1.00 0.00 C ATOM 720 O TYR A 66 6.316 20.943 -22.263 1.00 0.00 O ATOM 721 CB TYR A 66 4.892 19.271 -19.592 1.00 0.00 C ATOM 722 CG TYR A 66 4.341 20.590 -19.091 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.916 21.582 -19.992 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.286 20.829 -17.710 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.451 22.822 -19.518 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.833 22.071 -17.222 1.00 0.00 C ATOM 727 CZ TYR A 66 3.412 23.073 -18.129 1.00 0.00 C ATOM 728 OH TYR A 66 2.972 24.281 -17.679 1.00 0.00 O ATOM 0 H TYR A 66 6.844 21.152 -19.518 1.00 0.00 H new ATOM 0 HA TYR A 66 6.623 18.393 -20.532 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.131 18.783 -20.201 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.079 18.623 -18.736 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.947 21.391 -21.054 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.592 20.058 -17.018 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.125 23.580 -20.215 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.807 22.258 -16.159 1.00 0.00 H new ATOM 0 HH TYR A 66 3.004 24.297 -16.700 1.00 0.00 H new ATOM 738 N ASP A 67 5.175 19.043 -22.633 1.00 0.00 N ATOM 739 CA ASP A 67 4.645 19.439 -23.945 1.00 0.00 C ATOM 740 C ASP A 67 3.455 20.410 -23.827 1.00 0.00 C ATOM 741 O ASP A 67 2.657 20.363 -22.890 1.00 0.00 O ATOM 742 CB ASP A 67 4.219 18.217 -24.779 1.00 0.00 C ATOM 743 CG ASP A 67 4.195 18.479 -26.304 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.382 19.640 -26.748 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.956 17.513 -27.065 1.00 0.00 O ATOM 0 H ASP A 67 4.932 18.089 -22.367 1.00 0.00 H new ATOM 0 HA ASP A 67 5.462 19.952 -24.452 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.901 17.392 -24.572 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.227 17.898 -24.459 1.00 0.00 H new ATOM 750 N GLN A 68 3.305 21.247 -24.846 1.00 0.00 N ATOM 751 CA GLN A 68 2.213 22.190 -25.072 1.00 0.00 C ATOM 752 C GLN A 68 0.910 21.446 -25.413 1.00 0.00 C ATOM 753 O GLN A 68 -0.168 21.796 -24.928 1.00 0.00 O ATOM 754 CB GLN A 68 2.580 23.082 -26.277 1.00 0.00 C ATOM 755 CG GLN A 68 4.030 23.603 -26.342 1.00 0.00 C ATOM 756 CD GLN A 68 4.684 23.357 -27.704 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.997 24.279 -28.447 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.926 22.118 -28.098 1.00 0.00 N ATOM 0 H GLN A 68 3.996 21.288 -25.595 1.00 0.00 H new ATOM 0 HA GLN A 68 2.065 22.779 -24.167 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.380 22.520 -27.189 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.910 23.942 -26.279 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.038 24.672 -26.127 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.622 23.117 -25.566 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.674 21.333 -27.497 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.364 21.947 -29.003 1.00 0.00 H new ATOM 767 N GLN A 69 1.028 20.408 -26.256 1.00 0.00 N ATOM 768 CA GLN A 69 -0.116 19.670 -26.811 1.00 0.00 C ATOM 769 C GLN A 69 -0.804 18.766 -25.772 1.00 0.00 C ATOM 770 O GLN A 69 -2.031 18.660 -25.765 1.00 0.00 O ATOM 771 CB GLN A 69 0.325 18.830 -28.026 1.00 0.00 C ATOM 772 CG GLN A 69 0.314 19.599 -29.359 1.00 0.00 C ATOM 773 CD GLN A 69 1.265 20.791 -29.397 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.561 20.567 -29.382 1.00 0.00 O flip ATOM 775 NE2 GLN A 69 0.862 21.947 -29.431 1.00 0.00 N flip ATOM 0 H GLN A 69 1.930 20.054 -26.574 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.847 20.416 -27.124 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.331 18.451 -27.846 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.331 17.964 -28.113 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.576 18.913 -30.164 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.699 19.950 -29.556 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.140 22.138 -29.443 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.528 22.719 -29.447 1.00 0.00 H new ATOM 784 N GLU A 70 -0.032 18.151 -24.869 1.00 0.00 N ATOM 785 CA GLU A 70 -0.548 17.399 -23.715 1.00 0.00 C ATOM 786 C GLU A 70 0.462 17.469 -22.561 1.00 0.00 C ATOM 787 O GLU A 70 1.542 16.877 -22.621 1.00 0.00 O ATOM 788 CB GLU A 70 -0.868 15.934 -24.098 1.00 0.00 C ATOM 789 CG GLU A 70 -2.359 15.607 -23.937 1.00 0.00 C ATOM 790 CD GLU A 70 -2.680 14.197 -24.472 1.00 0.00 C ATOM 791 OE1 GLU A 70 -2.537 13.200 -23.721 1.00 0.00 O ATOM 792 OE2 GLU A 70 -3.091 14.071 -25.653 1.00 0.00 O ATOM 0 H GLU A 70 0.987 18.161 -24.919 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.483 17.853 -23.388 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.568 15.756 -25.131 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.280 15.260 -23.475 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.637 15.672 -22.885 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.956 16.346 -24.471 1.00 0.00 H new ATOM 799 N GLN A 71 0.096 18.182 -21.491 1.00 0.00 N ATOM 800 CA GLN A 71 0.955 18.419 -20.322 1.00 0.00 C ATOM 801 C GLN A 71 1.394 17.119 -19.634 1.00 0.00 C ATOM 802 O GLN A 71 2.405 17.102 -18.933 1.00 0.00 O ATOM 803 CB GLN A 71 0.204 19.300 -19.314 1.00 0.00 C ATOM 804 CG GLN A 71 0.218 20.801 -19.654 1.00 0.00 C ATOM 805 CD GLN A 71 -0.541 21.183 -20.926 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.726 21.491 -20.904 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.090 21.171 -22.081 1.00 0.00 N ATOM 0 H GLN A 71 -0.822 18.619 -21.410 1.00 0.00 H new ATOM 0 HA GLN A 71 1.858 18.917 -20.677 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.831 18.962 -19.254 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.644 19.159 -18.327 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.208 21.352 -18.816 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.254 21.125 -19.756 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.077 20.917 -22.120 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.408 21.416 -22.937 1.00 0.00 H new ATOM 816 N HIS A 72 0.666 16.020 -19.862 1.00 0.00 N ATOM 817 CA HIS A 72 1.044 14.676 -19.443 1.00 0.00 C ATOM 818 C HIS A 72 2.453 14.284 -19.872 1.00 0.00 C ATOM 819 O HIS A 72 3.121 13.590 -19.115 1.00 0.00 O ATOM 820 CB HIS A 72 0.106 13.650 -20.091 1.00 0.00 C ATOM 821 CG HIS A 72 -1.345 13.868 -19.796 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.114 14.910 -20.305 1.00 0.00 N ATOM 823 CD2 HIS A 72 -2.126 13.040 -19.052 1.00 0.00 C ATOM 824 CE1 HIS A 72 -3.357 14.697 -19.852 1.00 0.00 C ATOM 825 NE2 HIS A 72 -3.396 13.584 -19.091 1.00 0.00 N ATOM 0 H HIS A 72 -0.226 16.047 -20.357 1.00 0.00 H new ATOM 0 HA HIS A 72 0.985 14.681 -18.355 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.252 13.673 -21.171 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.388 12.653 -19.752 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.818 12.142 -18.537 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.207 15.327 -20.066 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.221 13.208 -18.624 1.00 0.00 H new ATOM 833 N MET A 73 2.873 14.666 -21.083 1.00 0.00 N ATOM 834 CA MET A 73 4.184 14.329 -21.633 1.00 0.00 C ATOM 835 C MET A 73 5.238 15.282 -21.069 1.00 0.00 C ATOM 836 O MET A 73 5.174 16.492 -21.292 1.00 0.00 O ATOM 837 CB MET A 73 4.125 14.359 -23.169 1.00 0.00 C ATOM 838 CG MET A 73 5.505 14.271 -23.836 1.00 0.00 C ATOM 839 SD MET A 73 6.628 12.961 -23.265 1.00 0.00 S ATOM 840 CE MET A 73 5.696 11.480 -23.719 1.00 0.00 C ATOM 0 H MET A 73 2.301 15.226 -21.715 1.00 0.00 H new ATOM 0 HA MET A 73 4.469 13.319 -21.340 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.508 13.531 -23.517 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.634 15.278 -23.488 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.353 14.141 -24.908 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.007 15.229 -23.699 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.260 10.593 -23.431 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.735 11.483 -23.204 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.530 11.470 -24.796 1.00 0.00 H new ATOM 850 N VAL A 74 6.214 14.727 -20.356 1.00 0.00 N ATOM 851 CA VAL A 74 7.321 15.461 -19.731 1.00 0.00 C ATOM 852 C VAL A 74 8.572 15.264 -20.599 1.00 0.00 C ATOM 853 O VAL A 74 8.933 14.132 -20.918 1.00 0.00 O ATOM 854 CB VAL A 74 7.570 14.953 -18.298 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.622 15.815 -17.590 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.279 14.987 -17.463 1.00 0.00 C ATOM 0 H VAL A 74 6.262 13.722 -20.189 1.00 0.00 H new ATOM 0 HA VAL A 74 7.075 16.521 -19.664 1.00 0.00 H new ATOM 0 HB VAL A 74 7.924 13.926 -18.382 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.782 15.438 -16.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.559 15.774 -18.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.274 16.847 -17.541 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.487 14.623 -16.457 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.907 16.010 -17.409 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.526 14.352 -17.931 1.00 0.00 H new ATOM 866 N TYR A 75 9.252 16.353 -20.955 1.00 0.00 N ATOM 867 CA TYR A 75 10.519 16.395 -21.690 1.00 0.00 C ATOM 868 C TYR A 75 11.590 17.074 -20.815 1.00 0.00 C ATOM 869 O TYR A 75 11.755 18.296 -20.819 1.00 0.00 O ATOM 870 CB TYR A 75 10.316 17.150 -23.015 1.00 0.00 C ATOM 871 CG TYR A 75 9.567 16.354 -24.063 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.091 15.116 -24.474 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.374 16.840 -24.634 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.414 14.342 -25.427 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.712 16.083 -25.621 1.00 0.00 C ATOM 876 CZ TYR A 75 8.223 14.825 -26.014 1.00 0.00 C ATOM 877 OH TYR A 75 7.567 14.093 -26.958 1.00 0.00 O ATOM 0 H TYR A 75 8.914 17.287 -20.725 1.00 0.00 H new ATOM 0 HA TYR A 75 10.856 15.385 -21.923 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.772 18.074 -22.817 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.290 17.433 -23.414 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.020 14.759 -24.054 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.968 17.789 -24.316 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.803 13.376 -25.713 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.811 16.465 -26.079 1.00 0.00 H new ATOM 0 HH TYR A 75 6.767 14.578 -27.251 1.00 0.00 H new ATOM 887 N CYS A 76 12.324 16.267 -20.050 1.00 0.00 N ATOM 888 CA CYS A 76 13.364 16.695 -19.114 1.00 0.00 C ATOM 889 C CYS A 76 14.631 17.243 -19.791 1.00 0.00 C ATOM 890 O CYS A 76 15.345 18.042 -19.185 1.00 0.00 O ATOM 891 CB CYS A 76 13.724 15.512 -18.209 1.00 0.00 C ATOM 892 SG CYS A 76 12.276 14.950 -17.279 1.00 0.00 S ATOM 0 H CYS A 76 12.205 15.254 -20.066 1.00 0.00 H new ATOM 0 HA CYS A 76 12.955 17.526 -18.539 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.115 14.693 -18.812 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.515 15.804 -17.518 1.00 0.00 H new ATOM 0 HG CYS A 76 12.609 13.946 -16.523 1.00 0.00 H new ATOM 898 N GLY A 77 14.936 16.812 -21.021 1.00 0.00 N ATOM 899 CA GLY A 77 16.140 17.240 -21.747 1.00 0.00 C ATOM 900 C GLY A 77 17.426 17.029 -20.932 1.00 0.00 C ATOM 901 O GLY A 77 17.663 15.942 -20.400 1.00 0.00 O ATOM 0 H GLY A 77 14.355 16.156 -21.542 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.212 16.686 -22.683 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.048 18.294 -22.007 1.00 0.00 H new ATOM 905 N GLY A 78 18.234 18.086 -20.810 1.00 0.00 N ATOM 906 CA GLY A 78 19.453 18.130 -19.990 1.00 0.00 C ATOM 907 C GLY A 78 19.259 18.596 -18.535 1.00 0.00 C ATOM 908 O GLY A 78 20.250 18.911 -17.873 1.00 0.00 O ATOM 0 H GLY A 78 18.053 18.965 -21.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.897 17.135 -19.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.170 18.794 -20.473 1.00 0.00 H new ATOM 912 N ASP A 79 18.021 18.701 -18.030 1.00 0.00 N ATOM 913 CA ASP A 79 17.740 19.215 -16.679 1.00 0.00 C ATOM 914 C ASP A 79 18.266 18.304 -15.549 1.00 0.00 C ATOM 915 O ASP A 79 18.435 17.092 -15.720 1.00 0.00 O ATOM 916 CB ASP A 79 16.231 19.451 -16.503 1.00 0.00 C ATOM 917 CG ASP A 79 15.938 20.325 -15.281 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.141 21.559 -15.349 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.559 19.761 -14.232 1.00 0.00 O ATOM 0 H ASP A 79 17.184 18.432 -18.547 1.00 0.00 H new ATOM 0 HA ASP A 79 18.280 20.158 -16.594 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.830 19.928 -17.397 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.722 18.493 -16.397 1.00 0.00 H new ATOM 924 N LEU A 80 18.444 18.882 -14.355 1.00 0.00 N ATOM 925 CA LEU A 80 18.730 18.155 -13.117 1.00 0.00 C ATOM 926 C LEU A 80 17.727 17.010 -12.891 1.00 0.00 C ATOM 927 O LEU A 80 18.136 15.879 -12.633 1.00 0.00 O ATOM 928 CB LEU A 80 18.682 19.154 -11.943 1.00 0.00 C ATOM 929 CG LEU A 80 19.769 18.945 -10.867 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.177 19.215 -11.405 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.544 19.928 -9.713 1.00 0.00 C ATOM 0 H LEU A 80 18.391 19.892 -14.222 1.00 0.00 H new ATOM 0 HA LEU A 80 19.720 17.704 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.775 20.165 -12.341 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.703 19.087 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 80 19.694 17.906 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.907 19.055 -10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.386 18.537 -12.233 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.242 20.245 -11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.312 19.780 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.598 20.950 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.561 19.755 -9.274 1.00 0.00 H new ATOM 943 N LEU A 81 16.420 17.272 -13.043 1.00 0.00 N ATOM 944 CA LEU A 81 15.387 16.234 -13.006 1.00 0.00 C ATOM 945 C LEU A 81 15.674 15.078 -13.993 1.00 0.00 C ATOM 946 O LEU A 81 15.556 13.901 -13.648 1.00 0.00 O ATOM 947 CB LEU A 81 14.023 16.884 -13.325 1.00 0.00 C ATOM 948 CG LEU A 81 12.851 15.898 -13.522 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.426 15.243 -12.213 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.639 16.620 -14.097 1.00 0.00 C ATOM 0 H LEU A 81 16.053 18.211 -13.195 1.00 0.00 H new ATOM 0 HA LEU A 81 15.378 15.796 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.768 17.569 -12.516 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.128 17.483 -14.229 1.00 0.00 H new ATOM 0 HG LEU A 81 13.206 15.129 -14.208 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.599 14.558 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.267 14.691 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.108 16.011 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.822 15.911 -14.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.327 17.409 -13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.900 17.058 -15.061 1.00 0.00 H new ATOM 962 N GLY A 82 16.065 15.408 -15.226 1.00 0.00 N ATOM 963 CA GLY A 82 16.433 14.421 -16.245 1.00 0.00 C ATOM 964 C GLY A 82 17.689 13.627 -15.869 1.00 0.00 C ATOM 965 O GLY A 82 17.777 12.441 -16.176 1.00 0.00 O ATOM 0 H GLY A 82 16.136 16.373 -15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.602 13.731 -16.394 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.600 14.929 -17.195 1.00 0.00 H new ATOM 969 N GLU A 83 18.621 14.233 -15.126 1.00 0.00 N ATOM 970 CA GLU A 83 19.774 13.550 -14.530 1.00 0.00 C ATOM 971 C GLU A 83 19.355 12.576 -13.408 1.00 0.00 C ATOM 972 O GLU A 83 19.884 11.463 -13.349 1.00 0.00 O ATOM 973 CB GLU A 83 20.827 14.597 -14.100 1.00 0.00 C ATOM 974 CG GLU A 83 21.277 14.514 -12.634 1.00 0.00 C ATOM 975 CD GLU A 83 22.370 15.540 -12.258 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.124 16.020 -13.141 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.513 15.845 -11.049 1.00 0.00 O ATOM 0 H GLU A 83 18.594 15.231 -14.918 1.00 0.00 H new ATOM 0 HA GLU A 83 20.244 12.911 -15.277 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.704 14.489 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.421 15.592 -14.282 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.412 14.666 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.651 13.510 -12.435 1.00 0.00 H new ATOM 984 N LEU A 84 18.369 12.934 -12.567 1.00 0.00 N ATOM 985 CA LEU A 84 17.757 12.017 -11.602 1.00 0.00 C ATOM 986 C LEU A 84 17.125 10.806 -12.303 1.00 0.00 C ATOM 987 O LEU A 84 17.265 9.672 -11.840 1.00 0.00 O ATOM 988 CB LEU A 84 16.762 12.817 -10.733 1.00 0.00 C ATOM 989 CG LEU A 84 15.574 12.047 -10.109 1.00 0.00 C ATOM 990 CD1 LEU A 84 15.030 12.854 -8.938 1.00 0.00 C ATOM 991 CD2 LEU A 84 14.392 11.823 -11.060 1.00 0.00 C ATOM 0 H LEU A 84 17.975 13.875 -12.541 1.00 0.00 H new ATOM 0 HA LEU A 84 18.517 11.594 -10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.323 13.283 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.356 13.623 -11.344 1.00 0.00 H new ATOM 0 HG LEU A 84 15.972 11.072 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.191 12.323 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.815 12.990 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.694 13.828 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.605 11.276 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.005 12.786 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.724 11.247 -11.924 1.00 0.00 H new ATOM 1003 N LEU A 85 16.455 11.047 -13.432 1.00 0.00 N ATOM 1004 CA LEU A 85 15.777 9.999 -14.199 1.00 0.00 C ATOM 1005 C LEU A 85 16.714 9.150 -15.077 1.00 0.00 C ATOM 1006 O LEU A 85 16.398 7.995 -15.363 1.00 0.00 O ATOM 1007 CB LEU A 85 14.659 10.653 -15.039 1.00 0.00 C ATOM 1008 CG LEU A 85 13.261 10.233 -14.571 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.241 11.188 -15.167 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.919 8.813 -15.014 1.00 0.00 C ATOM 0 H LEU A 85 16.367 11.977 -13.841 1.00 0.00 H new ATOM 0 HA LEU A 85 15.358 9.290 -13.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.749 11.738 -14.979 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.787 10.380 -16.086 1.00 0.00 H new ATOM 0 HG LEU A 85 13.243 10.264 -13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.241 10.901 -14.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.454 12.203 -14.832 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.295 11.146 -16.255 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.920 8.553 -14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.948 8.754 -16.102 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.644 8.116 -14.594 1.00 0.00 H new ATOM 1022 N GLY A 86 17.844 9.711 -15.522 1.00 0.00 N ATOM 1023 CA GLY A 86 18.706 9.109 -16.550 1.00 0.00 C ATOM 1024 C GLY A 86 17.979 8.991 -17.903 1.00 0.00 C ATOM 1025 O GLY A 86 18.280 8.098 -18.700 1.00 0.00 O ATOM 0 H GLY A 86 18.191 10.606 -15.176 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.605 9.713 -16.671 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.028 8.121 -16.222 1.00 0.00 H new ATOM 1029 N ARG A 87 16.977 9.858 -18.128 1.00 0.00 N ATOM 1030 CA ARG A 87 15.993 9.806 -19.220 1.00 0.00 C ATOM 1031 C ARG A 87 15.518 11.212 -19.595 1.00 0.00 C ATOM 1032 O ARG A 87 15.322 12.054 -18.720 1.00 0.00 O ATOM 1033 CB ARG A 87 14.811 8.948 -18.718 1.00 0.00 C ATOM 1034 CG ARG A 87 14.046 8.224 -19.825 1.00 0.00 C ATOM 1035 CD ARG A 87 12.949 7.356 -19.192 1.00 0.00 C ATOM 1036 NE ARG A 87 12.019 6.849 -20.216 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.997 5.663 -20.799 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.864 4.730 -20.521 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.088 5.393 -21.690 1.00 0.00 N ATOM 0 H ARG A 87 16.824 10.660 -17.516 1.00 0.00 H new ATOM 0 HA ARG A 87 16.436 9.372 -20.116 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.188 8.210 -18.010 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.118 9.588 -18.172 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.605 8.946 -20.512 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.726 7.604 -20.409 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.403 6.519 -18.662 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.399 7.940 -18.454 1.00 0.00 H new ATOM 0 HE ARG A 87 11.294 7.501 -20.515 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.595 4.902 -19.830 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.812 3.828 -20.994 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.393 6.097 -21.938 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.071 4.478 -22.140 1.00 0.00 H new ATOM 1053 N GLN A 88 15.259 11.444 -20.882 1.00 0.00 N ATOM 1054 CA GLN A 88 14.653 12.694 -21.365 1.00 0.00 C ATOM 1055 C GLN A 88 13.136 12.740 -21.216 1.00 0.00 C ATOM 1056 O GLN A 88 12.594 13.838 -21.229 1.00 0.00 O ATOM 1057 CB GLN A 88 14.976 12.895 -22.853 1.00 0.00 C ATOM 1058 CG GLN A 88 16.421 13.342 -23.076 1.00 0.00 C ATOM 1059 CD GLN A 88 16.659 13.798 -24.518 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.508 13.281 -25.233 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.925 14.784 -25.004 1.00 0.00 N ATOM 0 H GLN A 88 15.462 10.773 -21.623 1.00 0.00 H new ATOM 0 HA GLN A 88 15.079 13.482 -20.744 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.799 11.963 -23.390 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.299 13.639 -23.273 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.659 14.158 -22.393 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.096 12.520 -22.838 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.214 15.225 -24.421 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.070 15.104 -25.962 1.00 0.00 H new ATOM 1070 N SER A 89 12.435 11.609 -21.132 1.00 0.00 N ATOM 1071 CA SER A 89 10.963 11.642 -21.216 1.00 0.00 C ATOM 1072 C SER A 89 10.214 10.460 -20.593 1.00 0.00 C ATOM 1073 O SER A 89 10.711 9.336 -20.505 1.00 0.00 O ATOM 1074 CB SER A 89 10.520 11.786 -22.682 1.00 0.00 C ATOM 1075 OG SER A 89 10.992 10.701 -23.472 1.00 0.00 O ATOM 0 H SER A 89 12.841 10.681 -21.009 1.00 0.00 H new ATOM 0 HA SER A 89 10.690 12.507 -20.612 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.432 11.830 -22.733 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.896 12.725 -23.088 1.00 0.00 H new ATOM 0 HG SER A 89 10.695 10.817 -24.398 1.00 0.00 H new ATOM 1081 N PHE A 90 8.985 10.748 -20.170 1.00 0.00 N ATOM 1082 CA PHE A 90 7.966 9.855 -19.604 1.00 0.00 C ATOM 1083 C PHE A 90 6.616 10.605 -19.638 1.00 0.00 C ATOM 1084 O PHE A 90 6.573 11.780 -20.022 1.00 0.00 O ATOM 1085 CB PHE A 90 8.353 9.484 -18.162 1.00 0.00 C ATOM 1086 CG PHE A 90 8.397 10.656 -17.206 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.549 11.459 -17.129 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.273 10.964 -16.417 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.584 12.556 -16.256 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.308 12.059 -15.541 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.480 12.833 -15.431 1.00 0.00 C ATOM 0 H PHE A 90 8.640 11.707 -20.218 1.00 0.00 H new ATOM 0 HA PHE A 90 7.888 8.932 -20.178 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.641 8.750 -17.785 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.331 9.003 -18.173 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.408 11.231 -17.743 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.383 10.357 -16.486 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.459 13.188 -16.218 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.438 12.308 -14.952 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.530 13.639 -14.713 1.00 0.00 H new ATOM 1101 N SER A 91 5.514 9.983 -19.207 1.00 0.00 N ATOM 1102 CA SER A 91 4.245 10.689 -19.016 1.00 0.00 C ATOM 1103 C SER A 91 3.551 10.403 -17.687 1.00 0.00 C ATOM 1104 O SER A 91 3.830 9.424 -16.997 1.00 0.00 O ATOM 1105 CB SER A 91 3.276 10.394 -20.166 1.00 0.00 C ATOM 1106 OG SER A 91 2.852 9.043 -20.110 1.00 0.00 O ATOM 0 H SER A 91 5.476 8.989 -18.983 1.00 0.00 H new ATOM 0 HA SER A 91 4.515 11.745 -19.004 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.413 11.057 -20.104 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.762 10.592 -21.121 1.00 0.00 H new ATOM 0 HG SER A 91 2.232 8.864 -20.847 1.00 0.00 H new ATOM 1112 N VAL A 92 2.564 11.245 -17.372 1.00 0.00 N ATOM 1113 CA VAL A 92 1.600 11.049 -16.274 1.00 0.00 C ATOM 1114 C VAL A 92 0.878 9.686 -16.380 1.00 0.00 C ATOM 1115 O VAL A 92 0.510 9.099 -15.361 1.00 0.00 O ATOM 1116 CB VAL A 92 0.607 12.223 -16.290 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.664 12.018 -15.465 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.283 13.514 -15.812 1.00 0.00 C ATOM 0 H VAL A 92 2.404 12.111 -17.887 1.00 0.00 H new ATOM 0 HA VAL A 92 2.130 11.032 -15.322 1.00 0.00 H new ATOM 0 HB VAL A 92 0.298 12.291 -17.333 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.295 12.903 -15.544 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.206 11.151 -15.842 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.398 11.854 -14.421 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.562 14.331 -15.832 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.649 13.378 -14.795 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.119 13.752 -16.470 1.00 0.00 H new ATOM 1128 N LYS A 93 0.714 9.149 -17.603 1.00 0.00 N ATOM 1129 CA LYS A 93 0.124 7.823 -17.873 1.00 0.00 C ATOM 1130 C LYS A 93 1.114 6.655 -17.686 1.00 0.00 C ATOM 1131 O LYS A 93 0.696 5.496 -17.699 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.477 7.789 -19.294 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.542 8.869 -19.567 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.227 8.613 -20.922 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.339 9.624 -21.254 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.814 10.916 -21.782 1.00 0.00 N ATOM 0 H LYS A 93 0.995 9.637 -18.453 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.661 7.680 -17.131 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.330 7.902 -20.018 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.922 6.808 -19.463 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.285 8.866 -18.770 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.078 9.855 -19.567 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.475 8.642 -21.710 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.650 7.608 -20.921 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.014 9.185 -21.989 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.927 9.817 -20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.595 11.596 -21.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.101 11.295 -21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.379 10.759 -22.713 1.00 0.00 H new ATOM 1150 N ASP A 94 2.408 6.938 -17.520 1.00 0.00 N ATOM 1151 CA ASP A 94 3.507 5.964 -17.491 1.00 0.00 C ATOM 1152 C ASP A 94 4.542 6.292 -16.382 1.00 0.00 C ATOM 1153 O ASP A 94 5.610 6.843 -16.672 1.00 0.00 O ATOM 1154 CB ASP A 94 4.141 5.915 -18.894 1.00 0.00 C ATOM 1155 CG ASP A 94 5.276 4.881 -19.000 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.171 3.792 -18.386 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.257 5.132 -19.743 1.00 0.00 O ATOM 0 H ASP A 94 2.736 7.896 -17.396 1.00 0.00 H new ATOM 0 HA ASP A 94 3.120 4.977 -17.238 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.370 5.678 -19.628 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.530 6.902 -19.147 1.00 0.00 H new ATOM 1162 N PRO A 95 4.246 5.977 -15.101 1.00 0.00 N ATOM 1163 CA PRO A 95 5.112 6.290 -13.956 1.00 0.00 C ATOM 1164 C PRO A 95 6.321 5.350 -13.788 1.00 0.00 C ATOM 1165 O PRO A 95 7.242 5.660 -13.031 1.00 0.00 O ATOM 1166 CB PRO A 95 4.193 6.191 -12.740 1.00 0.00 C ATOM 1167 CG PRO A 95 3.185 5.117 -13.144 1.00 0.00 C ATOM 1168 CD PRO A 95 2.996 5.388 -14.636 1.00 0.00 C ATOM 0 HA PRO A 95 5.562 7.273 -14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.743 5.908 -11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.704 7.142 -12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.566 4.113 -12.959 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.249 5.210 -12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.775 4.466 -15.175 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.159 6.065 -14.806 1.00 0.00 H new ATOM 1176 N SER A 96 6.344 4.210 -14.484 1.00 0.00 N ATOM 1177 CA SER A 96 7.375 3.167 -14.387 1.00 0.00 C ATOM 1178 C SER A 96 8.837 3.652 -14.349 1.00 0.00 C ATOM 1179 O SER A 96 9.562 3.160 -13.483 1.00 0.00 O ATOM 1180 CB SER A 96 7.198 2.152 -15.523 1.00 0.00 C ATOM 1181 OG SER A 96 5.901 1.570 -15.455 1.00 0.00 O ATOM 0 H SER A 96 5.616 3.977 -15.159 1.00 0.00 H new ATOM 0 HA SER A 96 7.210 2.714 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.336 2.643 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.959 1.375 -15.450 1.00 0.00 H new ATOM 0 HG SER A 96 5.794 0.924 -16.184 1.00 0.00 H new ATOM 1187 N PRO A 97 9.322 4.612 -15.174 1.00 0.00 N ATOM 1188 CA PRO A 97 10.721 5.046 -15.085 1.00 0.00 C ATOM 1189 C PRO A 97 11.042 5.842 -13.804 1.00 0.00 C ATOM 1190 O PRO A 97 12.189 5.814 -13.359 1.00 0.00 O ATOM 1191 CB PRO A 97 10.987 5.834 -16.371 1.00 0.00 C ATOM 1192 CG PRO A 97 9.618 6.400 -16.728 1.00 0.00 C ATOM 1193 CD PRO A 97 8.670 5.283 -16.298 1.00 0.00 C ATOM 0 HA PRO A 97 11.388 4.188 -15.004 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.720 6.625 -16.213 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.375 5.193 -17.162 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.414 7.330 -16.198 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.534 6.615 -17.793 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.701 5.686 -16.003 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.490 4.587 -17.117 1.00 0.00 H new ATOM 1201 N LEU A 98 10.060 6.492 -13.153 1.00 0.00 N ATOM 1202 CA LEU A 98 10.234 7.084 -11.822 1.00 0.00 C ATOM 1203 C LEU A 98 10.462 5.965 -10.799 1.00 0.00 C ATOM 1204 O LEU A 98 11.409 5.967 -10.015 1.00 0.00 O ATOM 1205 CB LEU A 98 8.978 7.885 -11.403 1.00 0.00 C ATOM 1206 CG LEU A 98 8.282 8.764 -12.449 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.072 9.462 -11.829 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.223 9.816 -13.028 1.00 0.00 C ATOM 0 H LEU A 98 9.124 6.619 -13.539 1.00 0.00 H new ATOM 0 HA LEU A 98 11.090 7.758 -11.856 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.243 7.174 -11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.258 8.526 -10.567 1.00 0.00 H new ATOM 0 HG LEU A 98 7.963 8.108 -13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.586 10.083 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.367 8.714 -11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.399 10.087 -10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.689 10.416 -13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.584 10.461 -12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.069 9.323 -13.506 1.00 0.00 H new ATOM 1220 N TYR A 99 9.585 4.965 -10.841 1.00 0.00 N ATOM 1221 CA TYR A 99 9.575 3.873 -9.878 1.00 0.00 C ATOM 1222 C TYR A 99 10.865 3.039 -10.003 1.00 0.00 C ATOM 1223 O TYR A 99 11.495 2.702 -9.001 1.00 0.00 O ATOM 1224 CB TYR A 99 8.296 3.051 -10.110 1.00 0.00 C ATOM 1225 CG TYR A 99 6.940 3.750 -9.952 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.797 5.081 -9.488 1.00 0.00 C ATOM 1227 CD2 TYR A 99 5.780 3.007 -10.253 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.517 5.613 -9.232 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.498 3.537 -10.005 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.364 4.835 -9.467 1.00 0.00 C ATOM 1231 OH TYR A 99 3.132 5.361 -9.215 1.00 0.00 O ATOM 0 H TYR A 99 8.856 4.892 -11.551 1.00 0.00 H new ATOM 0 HA TYR A 99 9.561 4.246 -8.854 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.343 2.642 -11.119 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.316 2.206 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.674 5.691 -9.330 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.875 2.019 -10.679 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.419 6.620 -8.855 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.619 2.950 -10.226 1.00 0.00 H new ATOM 0 HH TYR A 99 2.443 4.698 -9.430 1.00 0.00 H new ATOM 1241 N ASP A 100 11.335 2.820 -11.235 1.00 0.00 N ATOM 1242 CA ASP A 100 12.608 2.162 -11.542 1.00 0.00 C ATOM 1243 C ASP A 100 13.837 2.943 -11.069 1.00 0.00 C ATOM 1244 O ASP A 100 14.801 2.341 -10.607 1.00 0.00 O ATOM 1245 CB ASP A 100 12.717 1.965 -13.047 1.00 0.00 C ATOM 1246 CG ASP A 100 13.756 0.893 -13.414 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.600 -0.273 -12.975 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.725 1.207 -14.146 1.00 0.00 O ATOM 0 H ASP A 100 10.824 3.104 -12.071 1.00 0.00 H new ATOM 0 HA ASP A 100 12.601 1.214 -11.004 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.744 1.679 -13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.989 2.910 -13.517 1.00 0.00 H new ATOM 1253 N MET A 101 13.801 4.275 -11.146 1.00 0.00 N ATOM 1254 CA MET A 101 14.873 5.129 -10.604 1.00 0.00 C ATOM 1255 C MET A 101 14.844 5.265 -9.076 1.00 0.00 C ATOM 1256 O MET A 101 15.902 5.457 -8.484 1.00 0.00 O ATOM 1257 CB MET A 101 15.117 6.431 -11.378 1.00 0.00 C ATOM 1258 CG MET A 101 14.097 7.532 -11.144 1.00 0.00 C ATOM 1259 SD MET A 101 14.146 8.407 -9.557 1.00 0.00 S ATOM 1260 CE MET A 101 12.511 9.190 -9.612 1.00 0.00 C ATOM 0 H MET A 101 13.038 4.793 -11.581 1.00 0.00 H new ATOM 0 HA MET A 101 15.789 4.571 -10.797 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.103 6.811 -11.113 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.140 6.201 -12.443 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.214 8.270 -11.937 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.104 7.098 -11.256 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.459 9.976 -8.859 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.347 9.622 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.743 8.443 -9.411 1.00 0.00 H new ATOM 1270 N LEU A 102 13.686 5.168 -8.406 1.00 0.00 N ATOM 1271 CA LEU A 102 13.633 5.174 -6.947 1.00 0.00 C ATOM 1272 C LEU A 102 14.084 3.830 -6.390 1.00 0.00 C ATOM 1273 O LEU A 102 14.889 3.825 -5.474 1.00 0.00 O ATOM 1274 CB LEU A 102 12.217 5.513 -6.441 1.00 0.00 C ATOM 1275 CG LEU A 102 11.752 6.946 -6.735 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.322 7.137 -6.232 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.641 8.028 -6.116 1.00 0.00 C ATOM 0 H LEU A 102 12.775 5.085 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 102 14.314 5.948 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.509 4.817 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.183 5.349 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 102 11.813 7.065 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.995 8.155 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.661 6.432 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.288 6.960 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.246 9.012 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.656 7.911 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.655 7.933 -6.505 1.00 0.00 H new ATOM 1289 N ARG A 103 13.686 2.695 -6.974 1.00 0.00 N ATOM 1290 CA ARG A 103 13.877 1.372 -6.346 1.00 0.00 C ATOM 1291 C ARG A 103 15.317 0.979 -5.969 1.00 0.00 C ATOM 1292 O ARG A 103 15.529 0.233 -5.013 1.00 0.00 O ATOM 1293 CB ARG A 103 13.143 0.316 -7.165 1.00 0.00 C ATOM 1294 CG ARG A 103 13.816 -0.122 -8.466 1.00 0.00 C ATOM 1295 CD ARG A 103 12.957 -1.200 -9.122 1.00 0.00 C ATOM 1296 NE ARG A 103 13.492 -1.569 -10.447 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.194 -2.630 -10.793 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.513 -3.584 -9.964 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.589 -2.717 -12.027 1.00 0.00 N ATOM 0 H ARG A 103 13.227 2.660 -7.884 1.00 0.00 H new ATOM 0 HA ARG A 103 13.429 1.444 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.002 -0.565 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.151 0.698 -7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.932 0.729 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.816 -0.507 -8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.922 -2.081 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.933 -0.841 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 103 13.291 -0.911 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.217 -3.533 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.059 -4.382 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.354 -1.979 -12.691 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.134 -3.523 -12.332 1.00 0.00 H new ATOM 1313 N LYS A 104 16.291 1.525 -6.703 1.00 0.00 N ATOM 1314 CA LYS A 104 17.745 1.438 -6.469 1.00 0.00 C ATOM 1315 C LYS A 104 18.405 2.643 -5.773 1.00 0.00 C ATOM 1316 O LYS A 104 19.519 2.492 -5.272 1.00 0.00 O ATOM 1317 CB LYS A 104 18.488 1.053 -7.766 1.00 0.00 C ATOM 1318 CG LYS A 104 17.923 1.473 -9.130 1.00 0.00 C ATOM 1319 CD LYS A 104 17.587 2.958 -9.325 1.00 0.00 C ATOM 1320 CE LYS A 104 18.658 4.051 -9.303 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.770 3.806 -10.267 1.00 0.00 N ATOM 0 H LYS A 104 16.076 2.077 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 104 17.847 0.641 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.497 1.460 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.582 -0.033 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.643 1.187 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.017 0.895 -9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.077 3.039 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.860 3.217 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.193 5.010 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.069 4.127 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.461 4.580 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.237 2.905 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.388 3.761 -11.233 1.00 0.00 H new ATOM 1335 N ASN A 105 17.766 3.819 -5.726 1.00 0.00 N ATOM 1336 CA ASN A 105 18.315 5.008 -5.038 1.00 0.00 C ATOM 1337 C ASN A 105 17.711 5.232 -3.642 1.00 0.00 C ATOM 1338 O ASN A 105 18.398 5.689 -2.729 1.00 0.00 O ATOM 1339 CB ASN A 105 18.131 6.273 -5.900 1.00 0.00 C ATOM 1340 CG ASN A 105 19.410 6.622 -6.638 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.499 6.582 -7.854 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.461 6.928 -5.910 1.00 0.00 N ATOM 0 H ASN A 105 16.857 3.979 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 105 19.378 4.812 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.326 6.114 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.834 7.109 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.352 7.132 -6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.385 6.961 -4.893 1.00 0.00 H new ATOM 1349 N LEU A 106 16.417 4.945 -3.507 1.00 0.00 N ATOM 1350 CA LEU A 106 15.584 5.167 -2.330 1.00 0.00 C ATOM 1351 C LEU A 106 15.010 3.839 -1.808 1.00 0.00 C ATOM 1352 O LEU A 106 14.315 3.111 -2.518 1.00 0.00 O ATOM 1353 CB LEU A 106 14.501 6.180 -2.743 1.00 0.00 C ATOM 1354 CG LEU A 106 13.343 6.362 -1.755 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.812 6.879 -0.392 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.332 7.368 -2.292 1.00 0.00 C ATOM 0 H LEU A 106 15.889 4.522 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 106 16.157 5.572 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.977 7.148 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.089 5.870 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 106 12.896 5.375 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.953 6.990 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.516 6.170 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.301 7.845 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.518 7.483 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.821 8.330 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.933 7.011 -3.241 1.00 0.00 H new