USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1017 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 102 THR OG1 : rot -132:sc= 0.23 USER MOD Set 1.4: A 111 ASN : amide:sc= 0.252 K(o=0.46,f=-3.6!) USER MOD Set 1.5: A 113 MET CE :methyl -169:sc= -0.0174 (180deg=-0.322) USER MOD Set 2.1: A 47 HIS : no HD1:sc= 0 X(o=-0.018,f=0.43) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 69 CYS SG : rot -160:sc= -0.0176 USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 4 SER OG : rot 36:sc= 0.146 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -142:sc= 0.113 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 10 GLN : amide:sc= -0.0444 X(o=-0.044,f=-0.044) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl 176:sc= -0.219 (180deg=-0.238) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= 0.0934 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.173 K(o=0.17,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= -0.325 (180deg=-0.884) USER MOD Single : A 61 ASN : amide:sc=0.000904 X(o=0.0009,f=-0.066) USER MOD Single : A 73 THR OG1 : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.429) USER MOD Single : A 81 THR OG1 : rot 172:sc= 0.0194 USER MOD Single : A 84 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 89 ASN : amide:sc= 0.224 X(o=0.22,f=0.18) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 89:sc= 0 USER MOD Single : A 94 THR OG1 : rot 36:sc= 0.0042 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.488 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.830 -10.601 13.491 1.00 0.00 N ATOM 2 CA SER A 2 8.819 -10.706 14.551 1.00 0.00 C ATOM 3 C SER A 2 8.437 -9.297 15.066 1.00 0.00 C ATOM 4 O SER A 2 9.295 -8.475 15.410 1.00 0.00 O ATOM 5 CB SER A 2 9.321 -11.630 15.681 1.00 0.00 C ATOM 6 OG SER A 2 8.286 -11.871 16.629 1.00 0.00 O ATOM 0 HA SER A 2 7.914 -11.158 14.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.663 -12.575 15.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.177 -11.174 16.178 1.00 0.00 H new ATOM 0 HG SER A 2 8.621 -12.460 17.337 1.00 0.00 H new ATOM 12 N PHE A 3 7.118 -9.060 15.162 1.00 0.00 N ATOM 13 CA PHE A 3 6.539 -7.786 15.683 1.00 0.00 C ATOM 14 C PHE A 3 6.763 -7.453 17.193 1.00 0.00 C ATOM 15 O PHE A 3 6.486 -6.314 17.580 1.00 0.00 O ATOM 16 CB PHE A 3 5.013 -7.774 15.373 1.00 0.00 C ATOM 17 CG PHE A 3 4.639 -7.539 13.900 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.531 -8.614 13.011 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.436 -6.237 13.430 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.253 -8.385 11.668 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.162 -6.011 12.085 1.00 0.00 C ATOM 22 CZ PHE A 3 4.079 -7.085 11.204 1.00 0.00 C ATOM 0 H PHE A 3 6.412 -9.741 14.883 1.00 0.00 H new ATOM 0 HA PHE A 3 7.094 -7.004 15.165 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.588 -8.726 15.690 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.543 -6.998 15.977 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.664 -9.624 13.369 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.492 -5.404 14.115 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.172 -9.217 10.984 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.014 -5.004 11.725 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.879 -6.909 10.157 1.00 0.00 H new ATOM 32 N SER A 4 7.262 -8.384 18.035 1.00 0.00 N ATOM 33 CA SER A 4 7.517 -8.140 19.471 1.00 0.00 C ATOM 34 C SER A 4 8.631 -7.079 19.721 1.00 0.00 C ATOM 35 O SER A 4 9.801 -7.286 19.384 1.00 0.00 O ATOM 36 CB SER A 4 7.817 -9.501 20.137 1.00 0.00 C ATOM 37 OG SER A 4 8.979 -10.133 19.607 1.00 0.00 O ATOM 0 H SER A 4 7.500 -9.330 17.736 1.00 0.00 H new ATOM 0 HA SER A 4 6.630 -7.700 19.928 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.946 -9.354 21.209 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.959 -10.161 20.007 1.00 0.00 H new ATOM 0 HG SER A 4 9.648 -9.453 19.383 1.00 0.00 H new ATOM 43 N GLY A 5 8.217 -5.929 20.274 1.00 0.00 N ATOM 44 CA GLY A 5 9.091 -4.749 20.423 1.00 0.00 C ATOM 45 C GLY A 5 8.301 -3.455 20.721 1.00 0.00 C ATOM 46 O GLY A 5 7.086 -3.357 20.508 1.00 0.00 O ATOM 0 H GLY A 5 7.272 -5.788 20.630 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.803 -4.929 21.229 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.671 -4.614 19.510 1.00 0.00 H new ATOM 50 N LYS A 6 9.047 -2.445 21.195 1.00 0.00 N ATOM 51 CA LYS A 6 8.487 -1.128 21.599 1.00 0.00 C ATOM 52 C LYS A 6 8.904 -0.080 20.527 1.00 0.00 C ATOM 53 O LYS A 6 10.079 0.288 20.440 1.00 0.00 O ATOM 54 CB LYS A 6 8.992 -0.832 23.041 1.00 0.00 C ATOM 55 CG LYS A 6 8.270 0.330 23.752 1.00 0.00 C ATOM 56 CD LYS A 6 8.506 0.423 25.277 1.00 0.00 C ATOM 57 CE LYS A 6 9.883 0.964 25.701 1.00 0.00 C ATOM 58 NZ LYS A 6 10.011 1.020 27.168 1.00 0.00 N ATOM 0 H LYS A 6 10.058 -2.510 21.312 1.00 0.00 H new ATOM 0 HA LYS A 6 7.398 -1.103 21.637 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.879 -1.734 23.643 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.058 -0.608 22.999 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.588 1.267 23.294 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.199 0.234 23.572 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.735 1.062 25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.376 -0.569 25.709 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.667 0.329 25.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.028 1.960 25.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.950 1.389 27.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.277 1.646 27.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.896 0.065 27.563 1.00 0.00 H new ATOM 72 N TYR A 7 7.941 0.353 19.686 1.00 0.00 N ATOM 73 CA TYR A 7 8.231 1.157 18.465 1.00 0.00 C ATOM 74 C TYR A 7 7.635 2.569 18.666 1.00 0.00 C ATOM 75 O TYR A 7 6.418 2.751 18.571 1.00 0.00 O ATOM 76 CB TYR A 7 7.654 0.503 17.172 1.00 0.00 C ATOM 77 CG TYR A 7 8.238 -0.866 16.779 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.740 -2.034 17.370 1.00 0.00 C ATOM 79 CD2 TYR A 7 9.249 -0.961 15.817 1.00 0.00 C ATOM 80 CE1 TYR A 7 8.268 -3.274 17.020 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.763 -2.205 15.458 1.00 0.00 C ATOM 82 CZ TYR A 7 9.274 -3.363 16.063 1.00 0.00 C ATOM 83 OH TYR A 7 9.768 -4.590 15.701 1.00 0.00 O ATOM 0 H TYR A 7 6.949 0.161 19.826 1.00 0.00 H new ATOM 0 HA TYR A 7 9.311 1.209 18.328 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.577 0.392 17.297 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.810 1.192 16.342 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.945 -1.973 18.098 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.633 -0.066 15.350 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.895 -4.170 17.493 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.540 -2.273 14.711 1.00 0.00 H new ATOM 0 HH TYR A 7 10.735 -4.523 15.555 1.00 0.00 H new ATOM 93 N GLN A 8 8.498 3.571 18.916 1.00 0.00 N ATOM 94 CA GLN A 8 8.060 4.985 19.027 1.00 0.00 C ATOM 95 C GLN A 8 7.892 5.615 17.615 1.00 0.00 C ATOM 96 O GLN A 8 8.720 5.434 16.717 1.00 0.00 O ATOM 97 CB GLN A 8 9.024 5.783 19.944 1.00 0.00 C ATOM 98 CG GLN A 8 8.487 7.181 20.334 1.00 0.00 C ATOM 99 CD GLN A 8 9.295 7.920 21.414 1.00 0.00 C ATOM 100 OE1 GLN A 8 10.523 7.862 21.472 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.611 8.668 22.267 1.00 0.00 N ATOM 0 H GLN A 8 9.500 3.434 19.045 1.00 0.00 H new ATOM 0 HA GLN A 8 7.080 5.025 19.502 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.210 5.208 20.851 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.982 5.899 19.438 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.456 7.802 19.439 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.460 7.073 20.683 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.593 8.708 22.208 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.102 9.204 22.982 1.00 0.00 H new ATOM 110 N LEU A 9 6.796 6.377 17.463 1.00 0.00 N ATOM 111 CA LEU A 9 6.415 7.031 16.188 1.00 0.00 C ATOM 112 C LEU A 9 7.425 8.147 15.793 1.00 0.00 C ATOM 113 O LEU A 9 7.885 8.928 16.634 1.00 0.00 O ATOM 114 CB LEU A 9 4.943 7.508 16.341 1.00 0.00 C ATOM 115 CG LEU A 9 4.205 8.065 15.093 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.256 7.126 13.874 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.737 8.358 15.459 1.00 0.00 C ATOM 0 H LEU A 9 6.141 6.561 18.223 1.00 0.00 H new ATOM 0 HA LEU A 9 6.463 6.337 15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.361 6.668 16.721 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.925 8.282 17.108 1.00 0.00 H new ATOM 0 HG LEU A 9 4.726 8.977 14.801 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.720 7.581 13.041 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.294 6.957 13.588 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.790 6.174 14.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.215 8.749 14.586 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.254 7.438 15.789 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.702 9.094 16.262 1.00 0.00 H new ATOM 129 N GLN A 10 7.806 8.143 14.508 1.00 0.00 N ATOM 130 CA GLN A 10 8.897 8.982 13.954 1.00 0.00 C ATOM 131 C GLN A 10 8.359 10.017 12.925 1.00 0.00 C ATOM 132 O GLN A 10 8.756 11.183 12.991 1.00 0.00 O ATOM 133 CB GLN A 10 9.978 8.032 13.352 1.00 0.00 C ATOM 134 CG GLN A 10 11.385 8.644 13.157 1.00 0.00 C ATOM 135 CD GLN A 10 12.078 9.060 14.466 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.170 10.244 14.790 1.00 0.00 O ATOM 137 NE2 GLN A 10 12.543 8.106 15.259 1.00 0.00 N ATOM 0 H GLN A 10 7.362 7.550 13.807 1.00 0.00 H new ATOM 0 HA GLN A 10 9.352 9.579 14.744 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.069 7.161 14.000 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.622 7.675 12.386 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.015 7.921 12.639 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.303 9.517 12.509 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.462 7.128 14.982 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.982 8.350 16.147 1.00 0.00 H new ATOM 146 N SER A 11 7.485 9.600 11.983 1.00 0.00 N ATOM 147 CA SER A 11 6.871 10.503 10.986 1.00 0.00 C ATOM 148 C SER A 11 5.454 9.978 10.626 1.00 0.00 C ATOM 149 O SER A 11 5.309 8.910 10.023 1.00 0.00 O ATOM 150 CB SER A 11 7.781 10.654 9.747 1.00 0.00 C ATOM 151 OG SER A 11 8.109 9.408 9.137 1.00 0.00 O ATOM 0 H SER A 11 7.186 8.629 11.893 1.00 0.00 H new ATOM 0 HA SER A 11 6.763 11.502 11.408 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.284 11.290 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.700 11.162 10.039 1.00 0.00 H new ATOM 0 HG SER A 11 8.684 9.566 8.359 1.00 0.00 H new ATOM 157 N GLN A 12 4.422 10.759 10.992 1.00 0.00 N ATOM 158 CA GLN A 12 3.005 10.467 10.647 1.00 0.00 C ATOM 159 C GLN A 12 2.529 11.462 9.556 1.00 0.00 C ATOM 160 O GLN A 12 2.379 12.662 9.812 1.00 0.00 O ATOM 161 CB GLN A 12 2.102 10.438 11.912 1.00 0.00 C ATOM 162 CG GLN A 12 1.982 11.730 12.757 1.00 0.00 C ATOM 163 CD GLN A 12 1.296 11.510 14.115 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.170 11.023 14.202 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.959 11.856 15.206 1.00 0.00 N ATOM 0 H GLN A 12 4.539 11.614 11.536 1.00 0.00 H new ATOM 0 HA GLN A 12 2.925 9.464 10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.098 10.152 11.598 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.470 9.646 12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.978 12.140 12.924 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.421 12.474 12.192 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.893 12.260 15.129 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.537 11.719 16.124 1.00 0.00 H new ATOM 174 N GLU A 13 2.290 10.946 8.337 1.00 0.00 N ATOM 175 CA GLU A 13 1.719 11.745 7.220 1.00 0.00 C ATOM 176 C GLU A 13 0.179 11.633 7.274 1.00 0.00 C ATOM 177 O GLU A 13 -0.379 10.547 7.113 1.00 0.00 O ATOM 178 CB GLU A 13 2.273 11.265 5.850 1.00 0.00 C ATOM 179 CG GLU A 13 3.674 11.822 5.519 1.00 0.00 C ATOM 180 CD GLU A 13 3.656 13.229 4.905 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.520 13.345 3.667 1.00 0.00 O ATOM 182 OE2 GLU A 13 3.775 14.221 5.658 1.00 0.00 O ATOM 0 H GLU A 13 2.482 9.975 8.092 1.00 0.00 H new ATOM 0 HA GLU A 13 2.010 12.790 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.314 10.176 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.579 11.561 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.271 11.842 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.171 11.141 4.828 1.00 0.00 H new ATOM 189 N ASN A 14 -0.473 12.783 7.503 1.00 0.00 N ATOM 190 CA ASN A 14 -1.960 12.916 7.576 1.00 0.00 C ATOM 191 C ASN A 14 -2.585 12.368 8.898 1.00 0.00 C ATOM 192 O ASN A 14 -3.460 11.497 8.854 1.00 0.00 O ATOM 193 CB ASN A 14 -2.724 12.407 6.306 1.00 0.00 C ATOM 194 CG ASN A 14 -2.393 13.094 4.966 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.504 14.312 4.823 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.011 12.325 3.958 1.00 0.00 N ATOM 0 H ASN A 14 0.014 13.668 7.647 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.111 13.995 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.527 11.340 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.793 12.517 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.805 12.740 3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.923 11.317 4.090 1.00 0.00 H new ATOM 203 N PHE A 15 -2.228 12.939 10.073 1.00 0.00 N ATOM 204 CA PHE A 15 -3.057 12.794 11.306 1.00 0.00 C ATOM 205 C PHE A 15 -4.366 13.635 11.201 1.00 0.00 C ATOM 206 O PHE A 15 -5.450 13.052 11.232 1.00 0.00 O ATOM 207 CB PHE A 15 -2.240 13.070 12.607 1.00 0.00 C ATOM 208 CG PHE A 15 -3.010 12.784 13.919 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.827 13.773 14.480 1.00 0.00 C ATOM 210 CD2 PHE A 15 -2.970 11.520 14.517 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.604 13.496 15.600 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.724 11.254 15.657 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.543 12.241 16.196 1.00 0.00 C ATOM 0 H PHE A 15 -1.384 13.498 10.199 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.364 11.751 11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.337 12.460 12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.921 14.112 12.607 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.854 14.759 14.040 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.350 10.745 14.091 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.255 14.256 16.007 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.673 10.281 16.123 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.131 12.033 17.077 1.00 0.00 H new ATOM 223 N GLU A 16 -4.273 14.978 11.111 1.00 0.00 N ATOM 224 CA GLU A 16 -5.459 15.881 11.199 1.00 0.00 C ATOM 225 C GLU A 16 -6.450 15.806 9.993 1.00 0.00 C ATOM 226 O GLU A 16 -7.663 15.882 10.219 1.00 0.00 O ATOM 227 CB GLU A 16 -5.009 17.336 11.505 1.00 0.00 C ATOM 228 CG GLU A 16 -4.324 17.519 12.883 1.00 0.00 C ATOM 229 CD GLU A 16 -3.916 18.961 13.185 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.743 19.720 13.735 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.761 19.336 12.889 1.00 0.00 O ATOM 0 H GLU A 16 -3.390 15.470 10.977 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.052 15.507 12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.321 17.662 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.879 17.990 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.001 17.172 13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.438 16.885 12.925 1.00 0.00 H new ATOM 238 N ALA A 17 -5.963 15.607 8.747 1.00 0.00 N ATOM 239 CA ALA A 17 -6.822 15.263 7.579 1.00 0.00 C ATOM 240 C ALA A 17 -7.593 13.909 7.684 1.00 0.00 C ATOM 241 O ALA A 17 -8.793 13.887 7.401 1.00 0.00 O ATOM 242 CB ALA A 17 -5.958 15.315 6.304 1.00 0.00 C ATOM 0 H ALA A 17 -4.972 15.678 8.518 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.617 16.008 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.572 15.065 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.549 16.318 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.141 14.598 6.389 1.00 0.00 H new ATOM 248 N PHE A 18 -6.929 12.806 8.098 1.00 0.00 N ATOM 249 CA PHE A 18 -7.586 11.486 8.323 1.00 0.00 C ATOM 250 C PHE A 18 -8.609 11.481 9.498 1.00 0.00 C ATOM 251 O PHE A 18 -9.724 10.997 9.308 1.00 0.00 O ATOM 252 CB PHE A 18 -6.489 10.397 8.498 1.00 0.00 C ATOM 253 CG PHE A 18 -6.984 8.936 8.540 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.158 8.211 7.356 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.233 8.311 9.768 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.582 6.886 7.401 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.645 6.981 9.810 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.823 6.272 8.626 1.00 0.00 C ATOM 0 H PHE A 18 -5.927 12.799 8.287 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.188 11.262 7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.775 10.494 7.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.946 10.602 9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.963 8.681 6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.105 8.863 10.687 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.724 6.334 6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.826 6.501 10.760 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.149 5.243 8.658 1.00 0.00 H new ATOM 268 N MET A 19 -8.228 11.992 10.684 1.00 0.00 N ATOM 269 CA MET A 19 -9.096 12.014 11.895 1.00 0.00 C ATOM 270 C MET A 19 -10.419 12.833 11.776 1.00 0.00 C ATOM 271 O MET A 19 -11.444 12.376 12.289 1.00 0.00 O ATOM 272 CB MET A 19 -8.259 12.453 13.126 1.00 0.00 C ATOM 273 CG MET A 19 -7.179 11.457 13.582 1.00 0.00 C ATOM 274 SD MET A 19 -7.917 9.889 14.084 1.00 0.00 S ATOM 275 CE MET A 19 -6.444 8.982 14.591 1.00 0.00 C ATOM 0 H MET A 19 -7.308 12.405 10.838 1.00 0.00 H new ATOM 0 HA MET A 19 -9.450 10.990 12.019 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.778 13.404 12.896 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.938 12.633 13.960 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.471 11.287 12.771 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.616 11.881 14.414 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.735 8.013 14.997 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.793 8.834 13.729 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.912 9.550 15.354 1.00 0.00 H new ATOM 285 N LYS A 20 -10.421 13.985 11.075 1.00 0.00 N ATOM 286 CA LYS A 20 -11.677 14.685 10.686 1.00 0.00 C ATOM 287 C LYS A 20 -12.528 13.945 9.596 1.00 0.00 C ATOM 288 O LYS A 20 -13.755 13.904 9.724 1.00 0.00 O ATOM 289 CB LYS A 20 -11.328 16.142 10.281 1.00 0.00 C ATOM 290 CG LYS A 20 -12.535 17.103 10.301 1.00 0.00 C ATOM 291 CD LYS A 20 -12.169 18.551 9.909 1.00 0.00 C ATOM 292 CE LYS A 20 -13.349 19.543 9.951 1.00 0.00 C ATOM 293 NZ LYS A 20 -13.811 19.838 11.322 1.00 0.00 N ATOM 0 H LYS A 20 -9.571 14.455 10.764 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.335 14.689 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.562 16.523 10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.897 16.137 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.298 16.731 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.974 17.104 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.386 18.908 10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.750 18.547 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.051 20.473 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.179 19.135 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.604 20.509 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.124 18.958 11.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.031 20.255 11.869 1.00 0.00 H new ATOM 307 N ALA A 21 -11.893 13.380 8.548 1.00 0.00 N ATOM 308 CA ALA A 21 -12.599 12.659 7.453 1.00 0.00 C ATOM 309 C ALA A 21 -13.213 11.265 7.787 1.00 0.00 C ATOM 310 O ALA A 21 -14.234 10.910 7.189 1.00 0.00 O ATOM 311 CB ALA A 21 -11.641 12.565 6.253 1.00 0.00 C ATOM 0 H ALA A 21 -10.880 13.407 8.431 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.487 13.254 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.134 12.040 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.366 13.568 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.744 12.020 6.546 1.00 0.00 H new ATOM 317 N ILE A 22 -12.637 10.494 8.734 1.00 0.00 N ATOM 318 CA ILE A 22 -13.261 9.249 9.278 1.00 0.00 C ATOM 319 C ILE A 22 -14.589 9.495 10.076 1.00 0.00 C ATOM 320 O ILE A 22 -15.559 8.762 9.864 1.00 0.00 O ATOM 321 CB ILE A 22 -12.233 8.367 10.078 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.676 9.021 11.383 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.115 7.795 9.172 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.626 8.237 12.184 1.00 0.00 C ATOM 0 H ILE A 22 -11.730 10.708 9.148 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.562 8.674 8.402 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.822 7.522 10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.243 9.985 11.116 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.520 9.222 12.043 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.432 7.194 9.772 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.559 7.173 8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.566 8.615 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.333 8.813 13.062 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.048 7.283 12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.751 8.058 11.559 1.00 0.00 H new ATOM 336 N GLY A 23 -14.613 10.501 10.975 1.00 0.00 N ATOM 337 CA GLY A 23 -15.763 10.791 11.854 1.00 0.00 C ATOM 338 C GLY A 23 -15.328 10.919 13.326 1.00 0.00 C ATOM 339 O GLY A 23 -15.609 10.018 14.121 1.00 0.00 O ATOM 0 H GLY A 23 -13.829 11.139 11.112 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.244 11.715 11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.504 9.997 11.760 1.00 0.00 H new ATOM 343 N LEU A 24 -14.668 12.041 13.676 1.00 0.00 N ATOM 344 CA LEU A 24 -14.310 12.379 15.082 1.00 0.00 C ATOM 345 C LEU A 24 -14.591 13.896 15.374 1.00 0.00 C ATOM 346 O LEU A 24 -14.372 14.726 14.482 1.00 0.00 O ATOM 347 CB LEU A 24 -12.817 12.078 15.420 1.00 0.00 C ATOM 348 CG LEU A 24 -12.369 10.592 15.485 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.842 10.515 15.678 1.00 0.00 C ATOM 350 CD2 LEU A 24 -13.071 9.795 16.604 1.00 0.00 C ATOM 0 H LEU A 24 -14.366 12.742 12.999 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.935 11.744 15.711 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.198 12.581 14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.594 12.536 16.383 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.659 10.136 14.539 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.533 9.471 15.723 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.344 11.005 14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.567 11.015 16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.714 8.765 16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.847 10.249 17.569 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.148 9.807 16.438 1.00 0.00 H new ATOM 362 N PRO A 25 -15.000 14.319 16.611 1.00 0.00 N ATOM 363 CA PRO A 25 -15.148 15.755 16.978 1.00 0.00 C ATOM 364 C PRO A 25 -13.806 16.545 17.072 1.00 0.00 C ATOM 365 O PRO A 25 -12.713 15.966 17.063 1.00 0.00 O ATOM 366 CB PRO A 25 -15.870 15.657 18.343 1.00 0.00 C ATOM 367 CG PRO A 25 -15.435 14.322 18.945 1.00 0.00 C ATOM 368 CD PRO A 25 -15.308 13.406 17.731 1.00 0.00 C ATOM 0 HA PRO A 25 -15.686 16.323 16.219 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.594 16.488 18.992 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.952 15.696 18.217 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.490 14.412 19.480 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.169 13.945 19.657 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.518 12.668 17.871 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.231 12.854 17.551 1.00 0.00 H new ATOM 376 N GLU A 26 -13.920 17.881 17.212 1.00 0.00 N ATOM 377 CA GLU A 26 -12.755 18.786 17.448 1.00 0.00 C ATOM 378 C GLU A 26 -11.860 18.439 18.686 1.00 0.00 C ATOM 379 O GLU A 26 -10.636 18.546 18.576 1.00 0.00 O ATOM 380 CB GLU A 26 -13.273 20.252 17.490 1.00 0.00 C ATOM 381 CG GLU A 26 -12.172 21.327 17.370 1.00 0.00 C ATOM 382 CD GLU A 26 -12.717 22.756 17.406 1.00 0.00 C ATOM 383 OE1 GLU A 26 -13.138 23.270 16.345 1.00 0.00 O ATOM 384 OE2 GLU A 26 -12.725 23.374 18.494 1.00 0.00 O ATOM 0 H GLU A 26 -14.814 18.370 17.166 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.069 18.640 16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.990 20.393 16.681 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.812 20.406 18.425 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.457 21.197 18.182 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.627 21.177 16.438 1.00 0.00 H new ATOM 391 N GLU A 27 -12.448 18.010 19.824 1.00 0.00 N ATOM 392 CA GLU A 27 -11.692 17.587 21.033 1.00 0.00 C ATOM 393 C GLU A 27 -10.766 16.343 20.834 1.00 0.00 C ATOM 394 O GLU A 27 -9.600 16.420 21.227 1.00 0.00 O ATOM 395 CB GLU A 27 -12.714 17.408 22.190 1.00 0.00 C ATOM 396 CG GLU A 27 -12.079 17.183 23.578 1.00 0.00 C ATOM 397 CD GLU A 27 -13.117 16.975 24.681 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.556 17.972 25.296 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.502 15.813 24.937 1.00 0.00 O ATOM 0 H GLU A 27 -13.460 17.946 19.935 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.975 18.370 21.278 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.351 18.292 22.235 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.360 16.561 21.959 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.423 16.314 23.535 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.456 18.041 23.830 1.00 0.00 H new ATOM 406 N LEU A 28 -11.256 15.231 20.245 1.00 0.00 N ATOM 407 CA LEU A 28 -10.427 14.012 19.989 1.00 0.00 C ATOM 408 C LEU A 28 -9.333 14.139 18.876 1.00 0.00 C ATOM 409 O LEU A 28 -8.305 13.463 18.979 1.00 0.00 O ATOM 410 CB LEU A 28 -11.331 12.770 19.742 1.00 0.00 C ATOM 411 CG LEU A 28 -12.284 12.336 20.898 1.00 0.00 C ATOM 412 CD1 LEU A 28 -13.184 11.167 20.453 1.00 0.00 C ATOM 413 CD2 LEU A 28 -11.541 11.952 22.195 1.00 0.00 C ATOM 0 H LEU A 28 -12.223 15.143 19.934 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.853 13.884 20.907 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.940 12.966 18.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.685 11.925 19.503 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.894 13.210 21.125 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.841 10.880 21.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.786 11.476 19.598 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.563 10.317 20.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.265 11.661 22.956 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.868 11.118 21.996 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.964 12.806 22.550 1.00 0.00 H new ATOM 425 N ILE A 29 -9.506 15.018 17.863 1.00 0.00 N ATOM 426 CA ILE A 29 -8.410 15.439 16.933 1.00 0.00 C ATOM 427 C ILE A 29 -7.311 16.241 17.719 1.00 0.00 C ATOM 428 O ILE A 29 -6.156 15.813 17.739 1.00 0.00 O ATOM 429 CB ILE A 29 -8.968 16.216 15.681 1.00 0.00 C ATOM 430 CG1 ILE A 29 -10.088 15.467 14.888 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.830 16.607 14.698 1.00 0.00 C ATOM 432 CD1 ILE A 29 -11.064 16.386 14.139 1.00 0.00 C ATOM 0 H ILE A 29 -10.403 15.460 17.660 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.932 14.546 16.529 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.426 17.108 16.108 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.619 14.795 14.170 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.654 14.847 15.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.252 17.141 13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.112 17.248 15.209 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.326 15.706 14.348 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.806 15.781 13.618 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.566 17.042 14.851 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.514 16.989 13.416 1.00 0.00 H new ATOM 444 N GLN A 30 -7.683 17.353 18.392 1.00 0.00 N ATOM 445 CA GLN A 30 -6.788 18.119 19.311 1.00 0.00 C ATOM 446 C GLN A 30 -6.091 17.357 20.487 1.00 0.00 C ATOM 447 O GLN A 30 -5.094 17.862 21.011 1.00 0.00 O ATOM 448 CB GLN A 30 -7.582 19.329 19.879 1.00 0.00 C ATOM 449 CG GLN A 30 -7.934 20.424 18.843 1.00 0.00 C ATOM 450 CD GLN A 30 -8.799 21.574 19.384 1.00 0.00 C ATOM 451 OE1 GLN A 30 -9.490 21.477 20.399 1.00 0.00 O ATOM 452 NE2 GLN A 30 -8.797 22.689 18.674 1.00 0.00 N ATOM 0 H GLN A 30 -8.618 17.753 18.317 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.947 18.399 18.676 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.506 18.961 20.325 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.000 19.782 20.681 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.008 20.841 18.448 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.456 19.958 18.007 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.221 22.758 17.835 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.371 23.480 18.965 1.00 0.00 H new ATOM 461 N LYS A 31 -6.578 16.166 20.889 1.00 0.00 N ATOM 462 CA LYS A 31 -5.941 15.319 21.932 1.00 0.00 C ATOM 463 C LYS A 31 -4.540 14.750 21.540 1.00 0.00 C ATOM 464 O LYS A 31 -3.615 14.857 22.351 1.00 0.00 O ATOM 465 CB LYS A 31 -6.953 14.222 22.355 1.00 0.00 C ATOM 466 CG LYS A 31 -6.706 13.584 23.739 1.00 0.00 C ATOM 467 CD LYS A 31 -6.967 14.461 24.986 1.00 0.00 C ATOM 468 CE LYS A 31 -8.433 14.907 25.168 1.00 0.00 C ATOM 469 NZ LYS A 31 -8.626 15.643 26.430 1.00 0.00 N ATOM 0 H LYS A 31 -7.428 15.758 20.501 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.709 15.952 22.789 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.954 14.654 22.347 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.941 13.433 21.604 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.332 12.695 23.816 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.670 13.248 23.775 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.657 13.908 25.873 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.337 15.348 24.927 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.728 15.538 24.330 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.084 14.033 25.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.623 15.926 26.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.368 15.032 27.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.023 16.491 26.433 1.00 0.00 H new ATOM 483 N GLY A 32 -4.380 14.190 20.322 1.00 0.00 N ATOM 484 CA GLY A 32 -3.048 13.870 19.758 1.00 0.00 C ATOM 485 C GLY A 32 -2.719 14.537 18.406 1.00 0.00 C ATOM 486 O GLY A 32 -2.193 13.836 17.540 1.00 0.00 O ATOM 0 H GLY A 32 -5.158 13.949 19.708 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.287 14.162 20.482 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.975 12.789 19.637 1.00 0.00 H new ATOM 490 N LYS A 33 -2.970 15.858 18.233 1.00 0.00 N ATOM 491 CA LYS A 33 -2.794 16.580 16.934 1.00 0.00 C ATOM 492 C LYS A 33 -1.312 16.674 16.461 1.00 0.00 C ATOM 493 O LYS A 33 -0.559 17.569 16.860 1.00 0.00 O ATOM 494 CB LYS A 33 -3.503 17.966 16.955 1.00 0.00 C ATOM 495 CG LYS A 33 -3.148 18.948 18.103 1.00 0.00 C ATOM 496 CD LYS A 33 -3.728 20.372 17.939 1.00 0.00 C ATOM 497 CE LYS A 33 -3.076 21.264 16.860 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.692 21.659 17.190 1.00 0.00 N ATOM 0 H LYS A 33 -3.301 16.460 18.987 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.288 15.968 16.179 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.289 18.465 16.010 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.578 17.791 16.986 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.507 18.531 19.044 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.063 19.019 18.179 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.790 20.283 17.711 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.649 20.884 18.898 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.078 20.732 15.908 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.681 22.161 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.310 22.256 16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.687 22.192 18.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.103 20.808 17.291 1.00 0.00 H new ATOM 512 N ASP A 34 -0.896 15.684 15.647 1.00 0.00 N ATOM 513 CA ASP A 34 0.538 15.377 15.356 1.00 0.00 C ATOM 514 C ASP A 34 1.470 15.291 16.616 1.00 0.00 C ATOM 515 O ASP A 34 2.482 15.996 16.707 1.00 0.00 O ATOM 516 CB ASP A 34 1.101 16.268 14.212 1.00 0.00 C ATOM 517 CG ASP A 34 0.434 16.082 12.839 1.00 0.00 C ATOM 518 OD1 ASP A 34 0.824 15.154 12.096 1.00 0.00 O ATOM 519 OD2 ASP A 34 -0.490 16.857 12.506 1.00 0.00 O ATOM 0 H ASP A 34 -1.544 15.063 15.163 1.00 0.00 H new ATOM 0 HA ASP A 34 0.543 14.352 14.985 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.001 17.313 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.167 16.066 14.109 1.00 0.00 H new ATOM 524 N ILE A 35 1.104 14.425 17.586 1.00 0.00 N ATOM 525 CA ILE A 35 1.875 14.221 18.849 1.00 0.00 C ATOM 526 C ILE A 35 2.305 12.723 18.816 1.00 0.00 C ATOM 527 O ILE A 35 1.469 11.813 18.848 1.00 0.00 O ATOM 528 CB ILE A 35 1.089 14.629 20.150 1.00 0.00 C ATOM 529 CG1 ILE A 35 0.589 16.109 20.135 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.960 14.389 21.414 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.347 16.531 21.283 1.00 0.00 C ATOM 0 H ILE A 35 0.268 13.844 17.523 1.00 0.00 H new ATOM 0 HA ILE A 35 2.740 14.882 18.896 1.00 0.00 H new ATOM 0 HB ILE A 35 0.205 13.992 20.177 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.461 16.763 20.148 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.072 16.285 19.192 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.399 14.677 22.303 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.225 13.334 21.478 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.869 14.988 21.349 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.624 17.578 21.161 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.245 15.914 21.266 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.165 16.400 22.236 1.00 0.00 H new ATOM 543 N LYS A 36 3.628 12.494 18.754 1.00 0.00 N ATOM 544 CA LYS A 36 4.214 11.154 18.485 1.00 0.00 C ATOM 545 C LYS A 36 4.387 10.333 19.795 1.00 0.00 C ATOM 546 O LYS A 36 4.908 10.842 20.795 1.00 0.00 O ATOM 547 CB LYS A 36 5.574 11.332 17.753 1.00 0.00 C ATOM 548 CG LYS A 36 5.465 11.917 16.320 1.00 0.00 C ATOM 549 CD LYS A 36 6.797 12.135 15.577 1.00 0.00 C ATOM 550 CE LYS A 36 7.642 13.314 16.100 1.00 0.00 C ATOM 551 NZ LYS A 36 8.891 13.460 15.332 1.00 0.00 N ATOM 0 H LYS A 36 4.326 13.226 18.888 1.00 0.00 H new ATOM 0 HA LYS A 36 3.531 10.591 17.848 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.210 11.985 18.350 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.072 10.364 17.699 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.844 11.250 15.723 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.943 12.872 16.378 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.389 11.223 15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.585 12.298 14.520 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.063 14.235 16.036 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.876 13.157 17.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.705 13.322 15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.917 12.749 14.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.933 14.412 14.916 1.00 0.00 H new ATOM 565 N GLY A 37 3.967 9.056 19.763 1.00 0.00 N ATOM 566 CA GLY A 37 4.136 8.135 20.910 1.00 0.00 C ATOM 567 C GLY A 37 4.176 6.640 20.523 1.00 0.00 C ATOM 568 O GLY A 37 4.416 6.261 19.372 1.00 0.00 O ATOM 0 H GLY A 37 3.507 8.634 18.956 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.059 8.388 21.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.318 8.295 21.613 1.00 0.00 H new ATOM 572 N VAL A 38 4.015 5.785 21.543 1.00 0.00 N ATOM 573 CA VAL A 38 4.533 4.387 21.507 1.00 0.00 C ATOM 574 C VAL A 38 3.434 3.400 20.999 1.00 0.00 C ATOM 575 O VAL A 38 2.363 3.266 21.601 1.00 0.00 O ATOM 576 CB VAL A 38 5.134 3.996 22.904 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.687 2.554 22.947 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.278 4.933 23.375 1.00 0.00 C ATOM 0 H VAL A 38 3.532 6.026 22.408 1.00 0.00 H new ATOM 0 HA VAL A 38 5.349 4.318 20.788 1.00 0.00 H new ATOM 0 HB VAL A 38 4.280 4.093 23.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.087 2.347 23.939 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.885 1.850 22.725 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.479 2.446 22.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.643 4.601 24.347 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.093 4.904 22.652 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.902 5.953 23.458 1.00 0.00 H new ATOM 588 N SER A 39 3.782 2.662 19.927 1.00 0.00 N ATOM 589 CA SER A 39 3.072 1.430 19.499 1.00 0.00 C ATOM 590 C SER A 39 3.888 0.203 19.986 1.00 0.00 C ATOM 591 O SER A 39 4.907 -0.153 19.383 1.00 0.00 O ATOM 592 CB SER A 39 2.945 1.429 17.960 1.00 0.00 C ATOM 593 OG SER A 39 2.159 0.329 17.514 1.00 0.00 O ATOM 0 H SER A 39 4.570 2.902 19.325 1.00 0.00 H new ATOM 0 HA SER A 39 2.071 1.388 19.928 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.491 2.363 17.628 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.936 1.379 17.510 1.00 0.00 H new ATOM 0 HG SER A 39 2.091 0.350 16.537 1.00 0.00 H new ATOM 599 N GLU A 40 3.428 -0.437 21.075 1.00 0.00 N ATOM 600 CA GLU A 40 4.101 -1.637 21.639 1.00 0.00 C ATOM 601 C GLU A 40 3.294 -2.899 21.231 1.00 0.00 C ATOM 602 O GLU A 40 2.378 -3.312 21.948 1.00 0.00 O ATOM 603 CB GLU A 40 4.279 -1.476 23.174 1.00 0.00 C ATOM 604 CG GLU A 40 5.181 -2.555 23.818 1.00 0.00 C ATOM 605 CD GLU A 40 5.217 -2.474 25.346 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.857 -1.547 25.890 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.607 -3.340 26.010 1.00 0.00 O ATOM 0 H GLU A 40 2.594 -0.149 21.587 1.00 0.00 H new ATOM 0 HA GLU A 40 5.106 -1.752 21.234 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.702 -0.493 23.379 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.298 -1.506 23.649 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.826 -3.542 23.521 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.195 -2.451 23.431 1.00 0.00 H new ATOM 614 N ILE A 41 3.676 -3.527 20.098 1.00 0.00 N ATOM 615 CA ILE A 41 3.118 -4.843 19.674 1.00 0.00 C ATOM 616 C ILE A 41 3.922 -5.940 20.436 1.00 0.00 C ATOM 617 O ILE A 41 5.155 -5.909 20.467 1.00 0.00 O ATOM 618 CB ILE A 41 3.138 -5.099 18.119 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.621 -3.941 17.210 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.350 -6.384 17.756 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.696 -2.915 16.830 1.00 0.00 C ATOM 0 H ILE A 41 4.370 -3.148 19.454 1.00 0.00 H new ATOM 0 HA ILE A 41 2.057 -4.862 19.925 1.00 0.00 H new ATOM 0 HB ILE A 41 4.203 -5.194 17.907 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.203 -4.368 16.298 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.808 -3.427 17.722 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.380 -6.537 16.677 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.801 -7.241 18.256 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.314 -6.279 18.079 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.256 -2.144 16.198 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.098 -2.457 17.734 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.499 -3.414 16.288 1.00 0.00 H new ATOM 633 N VAL A 42 3.199 -6.903 21.025 1.00 0.00 N ATOM 634 CA VAL A 42 3.803 -8.089 21.688 1.00 0.00 C ATOM 635 C VAL A 42 3.197 -9.310 20.936 1.00 0.00 C ATOM 636 O VAL A 42 2.048 -9.698 21.181 1.00 0.00 O ATOM 637 CB VAL A 42 3.562 -8.097 23.238 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.206 -9.327 23.921 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.083 -6.830 23.961 1.00 0.00 C ATOM 0 H VAL A 42 2.180 -6.891 21.060 1.00 0.00 H new ATOM 0 HA VAL A 42 4.891 -8.098 21.620 1.00 0.00 H new ATOM 0 HB VAL A 42 2.477 -8.131 23.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.013 -9.290 24.993 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.777 -10.239 23.506 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.282 -9.319 23.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.879 -6.911 25.029 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.157 -6.736 23.802 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.579 -5.950 23.561 1.00 0.00 H new ATOM 649 N GLN A 43 3.999 -9.919 20.041 1.00 0.00 N ATOM 650 CA GLN A 43 3.630 -11.179 19.348 1.00 0.00 C ATOM 651 C GLN A 43 3.943 -12.387 20.278 1.00 0.00 C ATOM 652 O GLN A 43 5.087 -12.573 20.706 1.00 0.00 O ATOM 653 CB GLN A 43 4.387 -11.260 17.994 1.00 0.00 C ATOM 654 CG GLN A 43 4.016 -12.487 17.124 1.00 0.00 C ATOM 655 CD GLN A 43 4.671 -12.537 15.731 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.229 -11.568 15.215 1.00 0.00 O ATOM 657 NE2 GLN A 43 4.588 -13.682 15.073 1.00 0.00 N ATOM 0 H GLN A 43 4.916 -9.558 19.776 1.00 0.00 H new ATOM 0 HA GLN A 43 2.563 -11.202 19.128 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.186 -10.352 17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.459 -11.281 18.192 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.290 -13.391 17.667 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.934 -12.507 16.998 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.126 -14.484 15.501 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.986 -13.763 14.138 1.00 0.00 H new ATOM 666 N ASN A 44 2.909 -13.199 20.554 1.00 0.00 N ATOM 667 CA ASN A 44 3.049 -14.470 21.311 1.00 0.00 C ATOM 668 C ASN A 44 2.513 -15.624 20.415 1.00 0.00 C ATOM 669 O ASN A 44 1.400 -16.123 20.617 1.00 0.00 O ATOM 670 CB ASN A 44 2.323 -14.384 22.686 1.00 0.00 C ATOM 671 CG ASN A 44 2.872 -13.337 23.680 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.059 -13.319 24.007 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.023 -12.450 24.176 1.00 0.00 N ATOM 0 H ASN A 44 1.952 -13.000 20.263 1.00 0.00 H new ATOM 0 HA ASN A 44 4.096 -14.665 21.545 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.270 -14.166 22.505 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.369 -15.364 23.160 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.350 -11.744 24.835 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.042 -12.473 23.899 1.00 0.00 H new ATOM 680 N GLY A 45 3.307 -16.019 19.396 1.00 0.00 N ATOM 681 CA GLY A 45 2.888 -17.020 18.386 1.00 0.00 C ATOM 682 C GLY A 45 1.783 -16.501 17.439 1.00 0.00 C ATOM 683 O GLY A 45 2.010 -15.567 16.664 1.00 0.00 O ATOM 0 H GLY A 45 4.249 -15.657 19.249 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.755 -17.316 17.795 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.530 -17.914 18.896 1.00 0.00 H new ATOM 687 N LYS A 46 0.584 -17.096 17.560 1.00 0.00 N ATOM 688 CA LYS A 46 -0.650 -16.571 16.907 1.00 0.00 C ATOM 689 C LYS A 46 -1.374 -15.407 17.659 1.00 0.00 C ATOM 690 O LYS A 46 -1.999 -14.585 16.985 1.00 0.00 O ATOM 691 CB LYS A 46 -1.626 -17.719 16.530 1.00 0.00 C ATOM 692 CG LYS A 46 -2.308 -18.499 17.680 1.00 0.00 C ATOM 693 CD LYS A 46 -3.342 -19.519 17.167 1.00 0.00 C ATOM 694 CE LYS A 46 -4.043 -20.282 18.304 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.021 -21.251 17.779 1.00 0.00 N ATOM 0 H LYS A 46 0.433 -17.945 18.104 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.292 -16.101 15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.410 -17.298 15.901 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.078 -18.436 15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.548 -19.019 18.263 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.799 -17.795 18.352 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.091 -19.000 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.846 -20.232 16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.299 -20.804 18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.547 -19.574 18.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.476 -21.749 18.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.744 -20.749 17.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.535 -21.940 17.171 1.00 0.00 H new ATOM 709 N HIS A 47 -1.334 -15.335 19.011 1.00 0.00 N ATOM 710 CA HIS A 47 -2.084 -14.313 19.784 1.00 0.00 C ATOM 711 C HIS A 47 -1.240 -13.013 19.908 1.00 0.00 C ATOM 712 O HIS A 47 -0.191 -12.981 20.556 1.00 0.00 O ATOM 713 CB HIS A 47 -2.515 -14.868 21.173 1.00 0.00 C ATOM 714 CG HIS A 47 -3.715 -14.135 21.793 1.00 0.00 C ATOM 715 ND1 HIS A 47 -3.751 -12.790 22.126 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.992 -14.697 21.975 1.00 0.00 C ATOM 717 CE1 HIS A 47 -5.079 -12.655 22.426 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.912 -13.743 22.389 1.00 0.00 N ATOM 0 H HIS A 47 -0.789 -15.973 19.591 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.000 -14.065 19.248 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.761 -15.925 21.070 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.669 -14.803 21.857 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.227 -15.739 21.813 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.473 -11.686 22.693 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.906 -13.826 22.601 1.00 0.00 H new ATOM 726 N PHE A 48 -1.759 -11.949 19.286 1.00 0.00 N ATOM 727 CA PHE A 48 -1.164 -10.588 19.333 1.00 0.00 C ATOM 728 C PHE A 48 -1.928 -9.683 20.345 1.00 0.00 C ATOM 729 O PHE A 48 -3.143 -9.800 20.537 1.00 0.00 O ATOM 730 CB PHE A 48 -1.234 -9.957 17.915 1.00 0.00 C ATOM 731 CG PHE A 48 -0.191 -10.429 16.883 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.341 -11.648 16.209 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.847 -9.570 16.509 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.535 -12.001 15.186 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.707 -9.913 15.471 1.00 0.00 C ATOM 736 CZ PHE A 48 1.553 -11.127 14.813 1.00 0.00 C ATOM 0 H PHE A 48 -2.611 -11.998 18.728 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.127 -10.667 19.660 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.226 -10.152 17.507 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.140 -8.876 18.021 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.142 -12.318 16.485 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.982 -8.634 17.030 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.425 -12.950 14.683 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.495 -9.235 15.176 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.224 -11.394 14.010 1.00 0.00 H new ATOM 746 N LYS A 49 -1.188 -8.732 20.944 1.00 0.00 N ATOM 747 CA LYS A 49 -1.778 -7.621 21.736 1.00 0.00 C ATOM 748 C LYS A 49 -0.901 -6.359 21.525 1.00 0.00 C ATOM 749 O LYS A 49 0.323 -6.404 21.687 1.00 0.00 O ATOM 750 CB LYS A 49 -1.917 -8.006 23.232 1.00 0.00 C ATOM 751 CG LYS A 49 -2.694 -6.966 24.074 1.00 0.00 C ATOM 752 CD LYS A 49 -2.999 -7.381 25.525 1.00 0.00 C ATOM 753 CE LYS A 49 -3.988 -8.554 25.670 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.275 -8.856 27.084 1.00 0.00 N ATOM 0 H LYS A 49 -0.169 -8.706 20.897 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.791 -7.410 21.393 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.422 -8.969 23.304 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.922 -8.135 23.658 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.121 -6.039 24.093 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.636 -6.749 23.571 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.063 -7.651 26.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.400 -6.519 26.058 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.917 -8.312 25.154 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.576 -9.439 25.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.944 -9.650 27.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.392 -9.111 27.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.692 -8.019 27.540 1.00 0.00 H new ATOM 768 N PHE A 50 -1.553 -5.232 21.184 1.00 0.00 N ATOM 769 CA PHE A 50 -0.862 -3.955 20.865 1.00 0.00 C ATOM 770 C PHE A 50 -1.590 -2.734 21.489 1.00 0.00 C ATOM 771 O PHE A 50 -2.824 -2.666 21.492 1.00 0.00 O ATOM 772 CB PHE A 50 -0.606 -3.807 19.339 1.00 0.00 C ATOM 773 CG PHE A 50 -1.782 -3.494 18.392 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.696 -4.488 18.024 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.908 -2.211 17.846 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.714 -4.201 17.116 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.926 -1.929 16.940 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.825 -2.925 16.571 1.00 0.00 C ATOM 0 H PHE A 50 -2.569 -5.174 21.120 1.00 0.00 H new ATOM 0 HA PHE A 50 0.122 -3.984 21.332 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.135 -3.019 19.209 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.149 -4.735 18.994 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.612 -5.479 18.444 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.211 -1.436 18.129 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.418 -4.970 16.835 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.018 -0.937 16.523 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.609 -2.708 15.861 1.00 0.00 H new ATOM 788 N THR A 51 -0.805 -1.759 21.988 1.00 0.00 N ATOM 789 CA THR A 51 -1.343 -0.558 22.683 1.00 0.00 C ATOM 790 C THR A 51 -0.887 0.697 21.883 1.00 0.00 C ATOM 791 O THR A 51 0.303 1.030 21.854 1.00 0.00 O ATOM 792 CB THR A 51 -0.890 -0.531 24.176 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.142 -1.784 24.808 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.623 0.536 25.008 1.00 0.00 C ATOM 0 H THR A 51 0.213 -1.775 21.925 1.00 0.00 H new ATOM 0 HA THR A 51 -2.432 -0.577 22.711 1.00 0.00 H new ATOM 0 HB THR A 51 0.175 -0.302 24.145 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.849 -1.744 25.742 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.264 0.505 26.037 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.430 1.522 24.586 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.695 0.338 24.991 1.00 0.00 H new ATOM 802 N ILE A 52 -1.858 1.392 21.261 1.00 0.00 N ATOM 803 CA ILE A 52 -1.617 2.658 20.509 1.00 0.00 C ATOM 804 C ILE A 52 -1.812 3.839 21.506 1.00 0.00 C ATOM 805 O ILE A 52 -2.876 3.971 22.116 1.00 0.00 O ATOM 806 CB ILE A 52 -2.566 2.755 19.254 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.394 1.606 18.216 1.00 0.00 C ATOM 808 CG2 ILE A 52 -2.512 4.122 18.524 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.017 1.482 17.538 1.00 0.00 C ATOM 0 H ILE A 52 -2.835 1.099 21.260 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.602 2.691 20.112 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.553 2.646 19.704 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.613 0.662 18.715 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.145 1.737 17.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.193 4.107 17.673 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.808 4.914 19.212 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.497 4.307 18.173 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.029 0.645 16.840 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.793 2.402 16.998 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.252 1.311 18.296 1.00 0.00 H new ATOM 821 N THR A 53 -0.789 4.706 21.627 1.00 0.00 N ATOM 822 CA THR A 53 -0.866 5.936 22.462 1.00 0.00 C ATOM 823 C THR A 53 -0.220 7.089 21.639 1.00 0.00 C ATOM 824 O THR A 53 0.973 7.049 21.324 1.00 0.00 O ATOM 825 CB THR A 53 -0.205 5.722 23.858 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.802 4.607 24.518 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.347 6.929 24.804 1.00 0.00 C ATOM 0 H THR A 53 0.108 4.583 21.157 1.00 0.00 H new ATOM 0 HA THR A 53 -1.900 6.195 22.688 1.00 0.00 H new ATOM 0 HB THR A 53 0.854 5.564 23.652 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.379 4.480 25.393 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.137 6.705 25.755 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.125 7.802 24.353 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.404 7.135 24.975 1.00 0.00 H new ATOM 835 N ALA A 54 -1.026 8.119 21.323 1.00 0.00 N ATOM 836 CA ALA A 54 -0.553 9.355 20.647 1.00 0.00 C ATOM 837 C ALA A 54 -1.227 10.561 21.348 1.00 0.00 C ATOM 838 O ALA A 54 -2.442 10.764 21.231 1.00 0.00 O ATOM 839 CB ALA A 54 -0.882 9.299 19.143 1.00 0.00 C ATOM 0 H ALA A 54 -2.025 8.124 21.527 1.00 0.00 H new ATOM 0 HA ALA A 54 0.530 9.455 20.724 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.530 10.210 18.659 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.389 8.437 18.695 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.960 9.210 19.009 1.00 0.00 H new ATOM 845 N GLY A 55 -0.430 11.331 22.112 1.00 0.00 N ATOM 846 CA GLY A 55 -0.948 12.430 22.958 1.00 0.00 C ATOM 847 C GLY A 55 -1.456 11.919 24.318 1.00 0.00 C ATOM 848 O GLY A 55 -0.659 11.465 25.145 1.00 0.00 O ATOM 0 H GLY A 55 0.582 11.213 22.163 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.160 13.166 23.118 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.758 12.939 22.436 1.00 0.00 H new ATOM 852 N SER A 56 -2.782 11.981 24.520 1.00 0.00 N ATOM 853 CA SER A 56 -3.453 11.316 25.672 1.00 0.00 C ATOM 854 C SER A 56 -4.742 10.600 25.171 1.00 0.00 C ATOM 855 O SER A 56 -5.865 11.008 25.486 1.00 0.00 O ATOM 856 CB SER A 56 -3.720 12.344 26.802 1.00 0.00 C ATOM 857 OG SER A 56 -2.506 12.844 27.351 1.00 0.00 O ATOM 0 H SER A 56 -3.421 12.484 23.904 1.00 0.00 H new ATOM 0 HA SER A 56 -2.806 10.552 26.103 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.311 13.172 26.410 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.311 11.875 27.589 1.00 0.00 H new ATOM 0 HG SER A 56 -2.709 13.490 28.059 1.00 0.00 H new ATOM 863 N LYS A 57 -4.567 9.514 24.387 1.00 0.00 N ATOM 864 CA LYS A 57 -5.694 8.721 23.831 1.00 0.00 C ATOM 865 C LYS A 57 -5.172 7.271 23.654 1.00 0.00 C ATOM 866 O LYS A 57 -4.415 6.983 22.719 1.00 0.00 O ATOM 867 CB LYS A 57 -6.241 9.357 22.519 1.00 0.00 C ATOM 868 CG LYS A 57 -7.504 8.664 21.960 1.00 0.00 C ATOM 869 CD LYS A 57 -8.138 9.398 20.758 1.00 0.00 C ATOM 870 CE LYS A 57 -9.324 8.662 20.099 1.00 0.00 C ATOM 871 NZ LYS A 57 -10.494 8.500 20.983 1.00 0.00 N ATOM 0 H LYS A 57 -3.648 9.161 24.121 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.552 8.713 24.503 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.468 10.407 22.704 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.459 9.329 21.761 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.247 7.649 21.659 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.245 8.583 22.756 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.477 10.380 21.088 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.368 9.563 20.005 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.628 9.210 19.207 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.990 7.678 19.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.363 8.707 20.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.529 7.523 21.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.416 9.156 21.786 1.00 0.00 H new ATOM 885 N VAL A 58 -5.593 6.371 24.563 1.00 0.00 N ATOM 886 CA VAL A 58 -5.125 4.958 24.587 1.00 0.00 C ATOM 887 C VAL A 58 -6.207 4.110 23.850 1.00 0.00 C ATOM 888 O VAL A 58 -7.280 3.846 24.402 1.00 0.00 O ATOM 889 CB VAL A 58 -4.823 4.467 26.047 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.327 3.001 26.090 1.00 0.00 C ATOM 891 CG2 VAL A 58 -3.775 5.334 26.791 1.00 0.00 C ATOM 0 H VAL A 58 -6.262 6.593 25.300 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.171 4.850 24.071 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.785 4.557 26.552 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.133 2.713 27.123 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.089 2.346 25.668 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.409 2.910 25.510 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.618 4.935 27.793 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.834 5.318 26.242 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.136 6.360 26.862 1.00 0.00 H new ATOM 901 N ILE A 59 -5.888 3.672 22.617 1.00 0.00 N ATOM 902 CA ILE A 59 -6.730 2.711 21.847 1.00 0.00 C ATOM 903 C ILE A 59 -6.011 1.334 21.999 1.00 0.00 C ATOM 904 O ILE A 59 -5.101 1.016 21.223 1.00 0.00 O ATOM 905 CB ILE A 59 -6.939 3.142 20.347 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.492 4.587 20.152 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.856 2.132 19.605 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.413 5.116 18.708 1.00 0.00 C ATOM 0 H ILE A 59 -5.047 3.967 22.121 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.748 2.670 22.234 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.938 3.139 19.916 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.532 4.610 20.477 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.939 5.264 20.803 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.986 2.450 18.571 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.399 1.143 19.625 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.828 2.093 20.097 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.820 6.127 18.668 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.373 5.130 18.382 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.991 4.466 18.050 1.00 0.00 H new ATOM 920 N GLN A 60 -6.425 0.530 22.999 1.00 0.00 N ATOM 921 CA GLN A 60 -5.801 -0.794 23.270 1.00 0.00 C ATOM 922 C GLN A 60 -6.606 -1.902 22.533 1.00 0.00 C ATOM 923 O GLN A 60 -7.807 -2.089 22.758 1.00 0.00 O ATOM 924 CB GLN A 60 -5.683 -1.030 24.797 1.00 0.00 C ATOM 925 CG GLN A 60 -4.736 -2.197 25.165 1.00 0.00 C ATOM 926 CD GLN A 60 -4.613 -2.435 26.677 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.464 -3.077 27.291 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.559 -1.938 27.305 1.00 0.00 N ATOM 0 H GLN A 60 -7.187 0.768 23.635 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.783 -0.823 22.880 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.324 -0.117 25.272 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.674 -1.233 25.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.096 -3.110 24.690 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.746 -1.994 24.756 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.860 -1.407 26.786 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.446 -2.086 28.308 1.00 0.00 H new ATOM 937 N ASN A 61 -5.901 -2.605 21.636 1.00 0.00 N ATOM 938 CA ASN A 61 -6.495 -3.584 20.686 1.00 0.00 C ATOM 939 C ASN A 61 -5.784 -4.961 20.829 1.00 0.00 C ATOM 940 O ASN A 61 -4.596 -5.042 21.160 1.00 0.00 O ATOM 941 CB ASN A 61 -6.331 -3.032 19.243 1.00 0.00 C ATOM 942 CG ASN A 61 -7.196 -1.816 18.850 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.147 -1.432 19.531 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.878 -1.185 17.732 1.00 0.00 N ATOM 0 H ASN A 61 -4.889 -2.516 21.540 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.553 -3.725 20.904 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.285 -2.762 19.102 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.548 -3.841 18.545 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.422 -0.376 17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.089 -1.507 17.171 1.00 0.00 H new ATOM 951 N GLU A 62 -6.528 -6.051 20.563 1.00 0.00 N ATOM 952 CA GLU A 62 -6.007 -7.438 20.697 1.00 0.00 C ATOM 953 C GLU A 62 -6.679 -8.349 19.636 1.00 0.00 C ATOM 954 O GLU A 62 -7.897 -8.296 19.419 1.00 0.00 O ATOM 955 CB GLU A 62 -6.136 -7.990 22.146 1.00 0.00 C ATOM 956 CG GLU A 62 -7.559 -8.179 22.716 1.00 0.00 C ATOM 957 CD GLU A 62 -7.562 -8.682 24.161 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.384 -9.902 24.378 1.00 0.00 O ATOM 959 OE2 GLU A 62 -7.736 -7.859 25.087 1.00 0.00 O ATOM 0 H GLU A 62 -7.498 -6.004 20.252 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.935 -7.426 20.502 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.628 -8.954 22.185 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.594 -7.317 22.811 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.093 -7.230 22.666 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.104 -8.885 22.090 1.00 0.00 H new ATOM 966 N PHE A 63 -5.859 -9.193 18.991 1.00 0.00 N ATOM 967 CA PHE A 63 -6.316 -10.107 17.912 1.00 0.00 C ATOM 968 C PHE A 63 -5.640 -11.503 18.005 1.00 0.00 C ATOM 969 O PHE A 63 -4.702 -11.732 18.776 1.00 0.00 O ATOM 970 CB PHE A 63 -6.196 -9.424 16.516 1.00 0.00 C ATOM 971 CG PHE A 63 -4.782 -9.107 15.983 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.152 -7.905 16.325 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.132 -9.999 15.122 1.00 0.00 C ATOM 974 CE1 PHE A 63 -2.909 -7.584 15.786 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.890 -9.671 14.585 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.285 -8.463 14.910 1.00 0.00 C ATOM 0 H PHE A 63 -4.863 -9.267 19.196 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.378 -10.308 18.054 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.692 -10.065 15.787 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.756 -8.490 16.552 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.633 -7.223 17.011 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.595 -10.943 14.874 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.430 -6.652 16.049 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.395 -10.357 13.914 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.328 -8.207 14.481 1.00 0.00 H new ATOM 986 N THR A 64 -6.151 -12.444 17.192 1.00 0.00 N ATOM 987 CA THR A 64 -5.558 -13.796 17.039 1.00 0.00 C ATOM 988 C THR A 64 -5.634 -14.125 15.523 1.00 0.00 C ATOM 989 O THR A 64 -6.719 -14.125 14.929 1.00 0.00 O ATOM 990 CB THR A 64 -6.280 -14.859 17.924 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.519 -14.362 19.238 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.456 -16.144 18.086 1.00 0.00 C ATOM 0 H THR A 64 -6.984 -12.296 16.622 1.00 0.00 H new ATOM 0 HA THR A 64 -4.525 -13.816 17.386 1.00 0.00 H new ATOM 0 HB THR A 64 -7.215 -15.076 17.407 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.973 -15.048 19.770 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.003 -16.851 18.710 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.277 -16.588 17.107 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.502 -15.907 18.557 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.470 -14.405 14.901 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.362 -14.593 13.422 1.00 0.00 C ATOM 1002 C VAL A 65 -5.031 -15.919 12.951 1.00 0.00 C ATOM 1003 O VAL A 65 -4.838 -16.977 13.560 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.899 -14.438 12.882 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.381 -12.995 13.034 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.860 -15.424 13.450 1.00 0.00 C ATOM 0 H VAL A 65 -3.583 -14.508 15.394 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.926 -13.775 12.975 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.999 -14.695 11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.364 -12.931 12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.025 -12.316 12.475 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.387 -12.715 14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.886 -15.222 13.005 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.797 -15.303 14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.161 -16.445 13.216 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.853 -15.818 11.891 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.765 -16.920 11.485 1.00 0.00 C ATOM 1018 C GLY A 66 -8.229 -16.829 11.980 1.00 0.00 C ATOM 1019 O GLY A 66 -9.155 -17.100 11.211 1.00 0.00 O ATOM 0 H GLY A 66 -5.910 -14.990 11.297 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.776 -16.968 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.343 -17.860 11.842 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.423 -16.466 13.258 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.756 -16.273 13.880 1.00 0.00 C ATOM 1025 C GLU A 67 -10.255 -14.812 13.684 1.00 0.00 C ATOM 1026 O GLU A 67 -9.465 -13.861 13.621 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.647 -16.604 15.401 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.301 -18.060 15.797 1.00 0.00 C ATOM 1029 CD GLU A 67 -10.328 -19.107 15.352 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -11.371 -19.259 16.026 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -10.096 -19.782 14.325 1.00 0.00 O ATOM 0 H GLU A 67 -7.652 -16.294 13.903 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.477 -16.937 13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.890 -15.950 15.833 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.597 -16.346 15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.332 -18.317 15.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.196 -18.112 16.881 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.593 -14.642 13.666 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.231 -13.299 13.774 1.00 0.00 C ATOM 1040 C GLU A 68 -12.140 -12.801 15.245 1.00 0.00 C ATOM 1041 O GLU A 68 -12.699 -13.418 16.160 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.723 -13.293 13.342 1.00 0.00 C ATOM 1043 CG GLU A 68 -13.970 -13.295 11.824 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.449 -13.122 11.470 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.916 -11.965 11.380 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.152 -14.140 11.284 1.00 0.00 O ATOM 0 H GLU A 68 -12.257 -15.411 13.578 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.690 -12.640 13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.212 -14.166 13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.204 -12.414 13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.394 -12.492 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.606 -14.231 11.401 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.416 -11.690 15.439 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.181 -11.095 16.778 1.00 0.00 C ATOM 1055 C CYS A 69 -11.399 -9.560 16.727 1.00 0.00 C ATOM 1056 O CYS A 69 -11.058 -8.881 15.749 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.766 -11.446 17.275 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.598 -13.241 17.557 1.00 0.00 S ATOM 0 H CYS A 69 -10.974 -11.173 14.679 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.897 -11.512 17.486 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.028 -11.119 16.543 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.558 -10.908 18.200 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.591 -13.464 18.348 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.979 -9.028 17.818 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.452 -7.622 17.891 1.00 0.00 C ATOM 1066 C GLU A 70 -11.301 -6.579 17.944 1.00 0.00 C ATOM 1067 O GLU A 70 -10.365 -6.710 18.739 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.496 -7.451 19.030 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.030 -7.398 20.508 1.00 0.00 C ATOM 1070 CD GLU A 70 -12.386 -8.681 21.046 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -13.125 -9.624 21.404 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -11.138 -8.751 21.107 1.00 0.00 O ATOM 0 H GLU A 70 -12.136 -9.556 18.677 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.959 -7.405 16.951 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.046 -6.531 18.830 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.207 -8.272 18.944 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.316 -6.582 20.616 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.889 -7.155 21.133 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.398 -5.554 17.079 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.386 -4.470 16.990 1.00 0.00 C ATOM 1081 C LEU A 71 -11.147 -3.129 17.095 1.00 0.00 C ATOM 1082 O LEU A 71 -11.925 -2.784 16.200 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.589 -4.564 15.655 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.585 -5.745 15.535 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.089 -5.923 14.088 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.374 -5.575 16.470 1.00 0.00 C ATOM 0 H LEU A 71 -12.172 -5.448 16.423 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.656 -4.556 17.795 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.303 -4.637 14.835 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.040 -3.633 15.518 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.133 -6.638 15.837 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.389 -6.758 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.938 -6.126 13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.588 -5.012 13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.701 -6.424 16.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.846 -4.655 16.218 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.716 -5.526 17.504 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.908 -2.361 18.177 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.551 -1.035 18.376 1.00 0.00 C ATOM 1100 C GLU A 72 -10.874 0.017 17.451 1.00 0.00 C ATOM 1101 O GLU A 72 -9.724 0.412 17.669 1.00 0.00 O ATOM 1102 CB GLU A 72 -11.534 -0.638 19.878 1.00 0.00 C ATOM 1103 CG GLU A 72 -12.631 0.361 20.316 1.00 0.00 C ATOM 1104 CD GLU A 72 -12.525 1.776 19.736 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.619 2.537 20.144 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -13.344 2.129 18.859 1.00 0.00 O ATOM 0 H GLU A 72 -10.275 -2.631 18.930 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.602 -1.083 18.091 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.632 -1.544 20.476 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.560 -0.207 20.111 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.601 -0.052 20.039 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.614 0.434 21.403 1.00 0.00 H new ATOM 1113 N THR A 73 -11.608 0.445 16.410 1.00 0.00 N ATOM 1114 CA THR A 73 -11.083 1.363 15.361 1.00 0.00 C ATOM 1115 C THR A 73 -10.858 2.817 15.870 1.00 0.00 C ATOM 1116 O THR A 73 -11.492 3.290 16.820 1.00 0.00 O ATOM 1117 CB THR A 73 -12.013 1.367 14.105 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.338 1.761 14.449 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.067 0.031 13.349 1.00 0.00 C ATOM 0 H THR A 73 -12.580 0.171 16.264 1.00 0.00 H new ATOM 0 HA THR A 73 -10.104 0.973 15.084 1.00 0.00 H new ATOM 0 HB THR A 73 -11.561 2.094 13.430 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.754 2.211 13.684 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.735 0.124 12.493 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.067 -0.232 13.002 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.437 -0.749 14.015 1.00 0.00 H new ATOM 1127 N MET A 74 -9.988 3.537 15.141 1.00 0.00 N ATOM 1128 CA MET A 74 -9.866 5.022 15.233 1.00 0.00 C ATOM 1129 C MET A 74 -11.162 5.850 14.940 1.00 0.00 C ATOM 1130 O MET A 74 -11.280 6.960 15.464 1.00 0.00 O ATOM 1131 CB MET A 74 -8.692 5.480 14.323 1.00 0.00 C ATOM 1132 CG MET A 74 -7.303 5.076 14.851 1.00 0.00 C ATOM 1133 SD MET A 74 -6.012 5.532 13.683 1.00 0.00 S ATOM 1134 CE MET A 74 -4.547 5.313 14.719 1.00 0.00 C ATOM 0 H MET A 74 -9.346 3.117 14.469 1.00 0.00 H new ATOM 0 HA MET A 74 -9.672 5.238 16.284 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.829 5.057 13.328 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.729 6.564 14.216 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.119 5.561 15.810 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.276 4.001 15.027 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.654 5.556 14.143 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.611 5.973 15.584 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.491 4.278 15.056 1.00 0.00 H new ATOM 1144 N THR A 75 -12.133 5.321 14.160 1.00 0.00 N ATOM 1145 CA THR A 75 -13.478 5.936 13.977 1.00 0.00 C ATOM 1146 C THR A 75 -14.338 5.746 15.271 1.00 0.00 C ATOM 1147 O THR A 75 -14.539 6.714 16.011 1.00 0.00 O ATOM 1148 CB THR A 75 -14.149 5.390 12.673 1.00 0.00 C ATOM 1149 OG1 THR A 75 -13.249 5.428 11.572 1.00 0.00 O ATOM 1150 CG2 THR A 75 -15.409 6.171 12.265 1.00 0.00 C ATOM 0 H THR A 75 -12.010 4.454 13.637 1.00 0.00 H new ATOM 0 HA THR A 75 -13.386 7.013 13.835 1.00 0.00 H new ATOM 0 HB THR A 75 -14.430 4.364 12.912 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.695 5.079 10.772 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.824 5.741 11.354 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.148 6.112 13.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.149 7.215 12.088 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.815 4.514 15.538 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.580 4.185 16.757 1.00 0.00 C ATOM 1160 C GLY A 76 -16.459 2.939 16.541 1.00 0.00 C ATOM 1161 O GLY A 76 -17.680 3.067 16.417 1.00 0.00 O ATOM 0 H GLY A 76 -14.681 3.718 14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.893 4.010 17.585 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.207 5.032 17.036 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.834 1.747 16.499 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.545 0.454 16.303 1.00 0.00 C ATOM 1167 C GLU A 77 -15.617 -0.699 16.772 1.00 0.00 C ATOM 1168 O GLU A 77 -14.497 -0.849 16.274 1.00 0.00 O ATOM 1169 CB GLU A 77 -17.142 0.207 14.885 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.161 0.316 13.707 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.765 -0.062 12.354 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.483 0.769 11.756 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -16.516 -1.192 11.879 1.00 0.00 O ATOM 0 H GLU A 77 -14.824 1.645 16.599 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.442 0.496 16.920 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.587 -0.788 14.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.950 0.920 14.725 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.787 1.338 13.653 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.303 -0.327 13.902 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.112 -1.527 17.712 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.392 -2.739 18.189 1.00 0.00 C ATOM 1182 C LYS A 78 -15.829 -3.947 17.308 1.00 0.00 C ATOM 1183 O LYS A 78 -16.894 -4.540 17.499 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.644 -2.888 19.712 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.806 -3.998 20.383 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.842 -4.003 21.925 1.00 0.00 C ATOM 1187 CE LYS A 78 -13.978 -2.906 22.579 1.00 0.00 C ATOM 1188 NZ LYS A 78 -14.003 -3.002 24.049 1.00 0.00 N ATOM 0 H LYS A 78 -17.015 -1.382 18.164 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.310 -2.672 18.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.427 -1.938 20.200 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.701 -3.096 19.876 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.158 -4.965 20.024 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.770 -3.896 20.059 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.874 -3.882 22.254 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.506 -4.976 22.282 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.951 -2.992 22.225 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.340 -1.925 22.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.412 -2.250 24.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.981 -2.895 24.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.634 -3.929 24.343 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.994 -4.232 16.294 1.00 0.00 N ATOM 1203 CA VAL A 79 -15.407 -4.938 15.052 1.00 0.00 C ATOM 1204 C VAL A 79 -14.601 -6.260 14.893 1.00 0.00 C ATOM 1205 O VAL A 79 -13.372 -6.239 14.770 1.00 0.00 O ATOM 1206 CB VAL A 79 -15.285 -3.942 13.841 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.937 -3.210 13.662 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.656 -4.579 12.488 1.00 0.00 C ATOM 0 H VAL A 79 -14.006 -3.981 16.306 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.451 -5.247 15.096 1.00 0.00 H new ATOM 0 HB VAL A 79 -16.015 -3.188 14.136 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.991 -2.556 12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.725 -2.615 14.550 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.142 -3.942 13.518 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.550 -3.838 11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.993 -5.421 12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.688 -4.930 12.522 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.322 -7.399 14.834 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.718 -8.741 14.616 1.00 0.00 C ATOM 1220 C LYS A 80 -14.279 -8.936 13.134 1.00 0.00 C ATOM 1221 O LYS A 80 -15.094 -8.880 12.206 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.638 -9.872 15.155 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.025 -10.071 14.490 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.809 -11.329 14.926 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.437 -11.313 16.336 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.477 -11.613 17.415 1.00 0.00 N ATOM 0 H LYS A 80 -16.337 -7.420 14.935 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.801 -8.804 15.202 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.092 -10.812 15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.802 -9.690 16.217 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.637 -9.194 14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.886 -10.110 13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.607 -11.498 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.137 -12.185 14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.879 -10.333 16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.249 -12.040 16.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.984 -12.014 18.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.774 -12.299 17.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.995 -10.738 17.704 1.00 0.00 H new ATOM 1240 N THR A 81 -12.965 -9.118 12.941 1.00 0.00 N ATOM 1241 CA THR A 81 -12.331 -9.192 11.595 1.00 0.00 C ATOM 1242 C THR A 81 -11.041 -10.064 11.685 1.00 0.00 C ATOM 1243 O THR A 81 -10.270 -9.979 12.650 1.00 0.00 O ATOM 1244 CB THR A 81 -12.094 -7.776 10.976 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.609 -7.908 9.643 1.00 0.00 O ATOM 1246 CG2 THR A 81 -11.134 -6.844 11.741 1.00 0.00 C ATOM 0 H THR A 81 -12.301 -9.220 13.709 1.00 0.00 H new ATOM 0 HA THR A 81 -13.013 -9.680 10.898 1.00 0.00 H new ATOM 0 HB THR A 81 -13.074 -7.301 11.028 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.581 -7.026 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.052 -5.894 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.520 -6.669 12.745 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.150 -7.309 11.806 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.800 -10.876 10.637 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.610 -11.773 10.556 1.00 0.00 C ATOM 1256 C VAL A 82 -8.359 -10.938 10.137 1.00 0.00 C ATOM 1257 O VAL A 82 -8.417 -10.134 9.198 1.00 0.00 O ATOM 1258 CB VAL A 82 -9.820 -12.992 9.583 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -8.679 -14.027 9.723 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.148 -13.762 9.760 1.00 0.00 C ATOM 0 H VAL A 82 -11.414 -10.935 9.825 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.456 -12.203 11.546 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.834 -12.523 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.854 -14.856 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.727 -13.553 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.651 -14.402 10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.192 -14.581 9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.204 -14.163 10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.986 -13.086 9.591 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.230 -11.186 10.825 1.00 0.00 N ATOM 1271 CA VAL A 83 -5.915 -10.585 10.466 1.00 0.00 C ATOM 1272 C VAL A 83 -5.034 -11.759 9.952 1.00 0.00 C ATOM 1273 O VAL A 83 -4.764 -12.707 10.697 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.240 -9.814 11.653 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.026 -8.980 11.174 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.189 -8.896 12.464 1.00 0.00 C ATOM 0 H VAL A 83 -7.193 -11.801 11.638 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.046 -9.820 9.700 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.918 -10.608 12.327 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.584 -8.460 12.024 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.284 -9.641 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.355 -8.251 10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.629 -8.408 13.261 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.615 -8.140 11.805 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.991 -9.494 12.897 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.575 -11.687 8.690 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.657 -12.694 8.111 1.00 0.00 C ATOM 1288 C GLN A 84 -2.202 -12.165 8.171 1.00 0.00 C ATOM 1289 O GLN A 84 -1.893 -11.062 7.709 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.092 -13.023 6.662 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.314 -13.957 6.518 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.088 -15.406 6.990 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.469 -16.216 6.300 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -5.581 -15.760 8.166 1.00 0.00 N ATOM 0 H GLN A 84 -4.825 -10.938 8.045 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.700 -13.617 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.312 -12.087 6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.248 -13.479 6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.144 -13.533 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.616 -13.975 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.092 -15.081 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.450 -16.712 8.509 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.315 -12.999 8.736 1.00 0.00 N ATOM 1304 CA LEU A 85 0.137 -12.705 8.822 1.00 0.00 C ATOM 1305 C LEU A 85 0.864 -13.304 7.589 1.00 0.00 C ATOM 1306 O LEU A 85 0.754 -14.502 7.301 1.00 0.00 O ATOM 1307 CB LEU A 85 0.690 -13.244 10.171 1.00 0.00 C ATOM 1308 CG LEU A 85 2.215 -13.089 10.432 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.716 -11.639 10.307 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.585 -13.687 11.801 1.00 0.00 C ATOM 0 H LEU A 85 -1.576 -13.895 9.147 1.00 0.00 H new ATOM 0 HA LEU A 85 0.315 -11.630 8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.157 -12.741 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.443 -14.304 10.237 1.00 0.00 H new ATOM 0 HG LEU A 85 2.724 -13.646 9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.788 -11.606 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.519 -11.272 9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.196 -11.011 11.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.655 -13.572 11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.035 -13.167 12.586 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.327 -14.746 11.817 1.00 0.00 H new ATOM 1322 N GLU A 86 1.623 -12.438 6.897 1.00 0.00 N ATOM 1323 CA GLU A 86 2.391 -12.811 5.684 1.00 0.00 C ATOM 1324 C GLU A 86 3.909 -12.682 5.966 1.00 0.00 C ATOM 1325 O GLU A 86 4.423 -11.602 6.274 1.00 0.00 O ATOM 1326 CB GLU A 86 1.971 -11.944 4.470 1.00 0.00 C ATOM 1327 CG GLU A 86 0.590 -12.312 3.894 1.00 0.00 C ATOM 1328 CD GLU A 86 0.171 -11.403 2.736 1.00 0.00 C ATOM 1329 OE1 GLU A 86 0.602 -11.646 1.587 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.589 -10.438 2.971 1.00 0.00 O ATOM 0 H GLU A 86 1.725 -11.457 7.158 1.00 0.00 H new ATOM 0 HA GLU A 86 2.169 -13.848 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.963 -10.896 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.721 -12.046 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.608 -13.346 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.157 -12.252 4.686 1.00 0.00 H new ATOM 1337 N GLY A 87 4.604 -13.823 5.845 1.00 0.00 N ATOM 1338 CA GLY A 87 6.072 -13.913 6.059 1.00 0.00 C ATOM 1339 C GLY A 87 6.681 -13.614 7.458 1.00 0.00 C ATOM 1340 O GLY A 87 7.884 -13.351 7.526 1.00 0.00 O ATOM 0 H GLY A 87 4.173 -14.713 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.377 -14.923 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.544 -13.233 5.350 1.00 0.00 H new ATOM 1344 N ASP A 88 5.883 -13.631 8.550 1.00 0.00 N ATOM 1345 CA ASP A 88 6.299 -13.137 9.901 1.00 0.00 C ATOM 1346 C ASP A 88 6.579 -11.591 10.042 1.00 0.00 C ATOM 1347 O ASP A 88 7.100 -11.155 11.073 1.00 0.00 O ATOM 1348 CB ASP A 88 7.391 -14.055 10.533 1.00 0.00 C ATOM 1349 CG ASP A 88 7.403 -14.097 12.068 1.00 0.00 C ATOM 1350 OD1 ASP A 88 6.468 -14.679 12.661 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.345 -13.555 12.685 1.00 0.00 O ATOM 0 H ASP A 88 4.927 -13.987 8.528 1.00 0.00 H new ATOM 0 HA ASP A 88 5.401 -13.230 10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.251 -15.069 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.369 -13.720 10.187 1.00 0.00 H new ATOM 1356 N ASN A 89 6.213 -10.767 9.034 1.00 0.00 N ATOM 1357 CA ASN A 89 6.540 -9.312 8.985 1.00 0.00 C ATOM 1358 C ASN A 89 5.550 -8.423 8.148 1.00 0.00 C ATOM 1359 O ASN A 89 5.951 -7.333 7.730 1.00 0.00 O ATOM 1360 CB ASN A 89 8.032 -9.132 8.561 1.00 0.00 C ATOM 1361 CG ASN A 89 8.405 -9.417 7.090 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.198 -10.511 6.564 1.00 0.00 O ATOM 1363 ND2 ASN A 89 8.961 -8.430 6.408 1.00 0.00 N ATOM 0 H ASN A 89 5.680 -11.088 8.226 1.00 0.00 H new ATOM 0 HA ASN A 89 6.400 -8.927 9.995 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.322 -8.106 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.639 -9.781 9.192 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.225 -8.569 5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.126 -7.529 6.857 1.00 0.00 H new ATOM 1370 N LYS A 90 4.283 -8.831 7.897 1.00 0.00 N ATOM 1371 CA LYS A 90 3.333 -8.062 7.043 1.00 0.00 C ATOM 1372 C LYS A 90 1.881 -8.482 7.406 1.00 0.00 C ATOM 1373 O LYS A 90 1.345 -9.461 6.882 1.00 0.00 O ATOM 1374 CB LYS A 90 3.705 -8.246 5.540 1.00 0.00 C ATOM 1375 CG LYS A 90 2.976 -7.338 4.521 1.00 0.00 C ATOM 1376 CD LYS A 90 1.843 -8.032 3.737 1.00 0.00 C ATOM 1377 CE LYS A 90 1.146 -7.144 2.688 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.009 -6.807 1.538 1.00 0.00 N ATOM 0 H LYS A 90 3.889 -9.693 8.274 1.00 0.00 H new ATOM 0 HA LYS A 90 3.402 -6.990 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.777 -8.082 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.513 -9.284 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.561 -6.480 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.707 -6.951 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.251 -8.910 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.095 -8.388 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.254 -7.655 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.814 -6.222 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.481 -6.209 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.849 -6.293 1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.306 -7.681 1.059 1.00 0.00 H new ATOM 1392 N LEU A 91 1.247 -7.706 8.301 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.156 -7.936 8.747 1.00 0.00 C ATOM 1394 C LEU A 91 -1.147 -7.204 7.795 1.00 0.00 C ATOM 1395 O LEU A 91 -0.910 -6.055 7.406 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.334 -7.401 10.198 1.00 0.00 C ATOM 1397 CG LEU A 91 0.473 -8.105 11.325 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.624 -7.190 12.560 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.122 -9.474 11.704 1.00 0.00 C ATOM 0 H LEU A 91 1.685 -6.898 8.742 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.367 -9.005 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.067 -6.344 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.392 -7.463 10.452 1.00 0.00 H new ATOM 0 HG LEU A 91 1.470 -8.298 10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.193 -7.710 13.331 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.149 -6.278 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.363 -6.935 12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.477 -9.925 12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.145 -9.341 12.055 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.120 -10.126 10.831 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.260 -7.870 7.443 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.294 -7.318 6.525 1.00 0.00 C ATOM 1413 C VAL A 92 -4.692 -7.478 7.192 1.00 0.00 C ATOM 1414 O VAL A 92 -5.142 -8.598 7.457 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.235 -7.959 5.096 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.082 -7.389 4.247 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -3.209 -9.505 5.014 1.00 0.00 C ATOM 0 H VAL A 92 -2.476 -8.807 7.782 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.095 -6.258 6.365 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.202 -7.667 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.083 -7.864 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.214 -6.313 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.132 -7.586 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.168 -9.813 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.331 -9.882 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.109 -9.909 5.477 1.00 0.00 H new ATOM 1427 N THR A 93 -5.381 -6.344 7.434 1.00 0.00 N ATOM 1428 CA THR A 93 -6.782 -6.337 7.936 1.00 0.00 C ATOM 1429 C THR A 93 -7.471 -5.012 7.522 1.00 0.00 C ATOM 1430 O THR A 93 -7.166 -3.930 8.026 1.00 0.00 O ATOM 1431 CB THR A 93 -6.900 -6.639 9.463 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.270 -6.819 9.807 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.278 -5.620 10.442 1.00 0.00 C ATOM 0 H THR A 93 -4.992 -5.412 7.290 1.00 0.00 H new ATOM 0 HA THR A 93 -7.313 -7.165 7.465 1.00 0.00 H new ATOM 0 HB THR A 93 -6.300 -7.540 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.516 -7.760 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.435 -5.957 11.467 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.209 -5.535 10.248 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.751 -4.648 10.304 1.00 0.00 H new ATOM 1441 N THR A 94 -8.466 -5.149 6.640 1.00 0.00 N ATOM 1442 CA THR A 94 -9.521 -4.130 6.425 1.00 0.00 C ATOM 1443 C THR A 94 -10.722 -4.494 7.344 1.00 0.00 C ATOM 1444 O THR A 94 -11.169 -5.648 7.383 1.00 0.00 O ATOM 1445 CB THR A 94 -9.888 -4.038 4.918 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.872 -3.027 4.716 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.371 -5.349 4.264 1.00 0.00 C ATOM 0 H THR A 94 -8.571 -5.972 6.047 1.00 0.00 H new ATOM 0 HA THR A 94 -9.178 -3.132 6.696 1.00 0.00 H new ATOM 0 HB THR A 94 -8.948 -3.793 4.423 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.708 -2.283 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.599 -5.169 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.589 -6.104 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.267 -5.702 4.775 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.225 -3.504 8.096 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.221 -3.757 9.177 1.00 0.00 C ATOM 1457 C PHE A 95 -13.656 -3.830 8.583 1.00 0.00 C ATOM 1458 O PHE A 95 -14.199 -4.928 8.420 1.00 0.00 O ATOM 1459 CB PHE A 95 -12.097 -2.808 10.412 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.699 -2.359 10.884 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -10.125 -1.212 10.321 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -10.019 -3.037 11.901 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.890 -0.754 10.766 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.784 -2.571 12.348 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.220 -1.433 11.780 1.00 0.00 C ATOM 0 H PHE A 95 -10.968 -2.523 7.986 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.986 -4.734 9.600 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.673 -1.909 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.584 -3.301 11.254 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.644 -0.681 9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.452 -3.923 12.341 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.450 0.128 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.264 -3.094 13.137 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.261 -1.076 12.126 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.228 -2.667 8.224 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.501 -2.550 7.482 1.00 0.00 C ATOM 1477 C LYS A 96 -15.178 -1.860 6.121 1.00 0.00 C ATOM 1478 O LYS A 96 -15.180 -2.537 5.089 1.00 0.00 O ATOM 1479 CB LYS A 96 -16.517 -1.849 8.416 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.937 -1.745 7.833 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.885 -0.955 8.744 1.00 0.00 C ATOM 1482 CE LYS A 96 -19.438 -1.748 9.946 1.00 0.00 C ATOM 1483 NZ LYS A 96 -20.384 -0.938 10.733 1.00 0.00 N ATOM 0 H LYS A 96 -13.812 -1.762 8.445 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.977 -3.493 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.562 -2.393 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.154 -0.846 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.892 -1.264 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.337 -2.747 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.359 -0.076 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.723 -0.595 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.936 -2.650 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.614 -2.069 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.738 -1.499 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.900 -0.090 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.182 -0.653 10.130 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.869 -0.546 6.132 1.00 0.00 N ATOM 1498 CA ASN A 97 -14.378 0.208 4.939 1.00 0.00 C ATOM 1499 C ASN A 97 -12.849 0.541 4.991 1.00 0.00 C ATOM 1500 O ASN A 97 -12.205 0.540 3.938 1.00 0.00 O ATOM 1501 CB ASN A 97 -15.207 1.511 4.746 1.00 0.00 C ATOM 1502 CG ASN A 97 -16.702 1.312 4.411 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -17.552 1.262 5.298 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -17.047 1.190 3.138 1.00 0.00 N ATOM 0 H ASN A 97 -14.951 0.032 6.968 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.518 -0.452 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.134 2.104 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.750 2.096 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.026 1.053 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.334 1.233 2.410 1.00 0.00 H new ATOM 1511 N ILE A 98 -12.277 0.858 6.175 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.890 1.386 6.322 1.00 0.00 C ATOM 1513 C ILE A 98 -9.869 0.206 6.262 1.00 0.00 C ATOM 1514 O ILE A 98 -9.976 -0.776 7.001 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.813 2.253 7.640 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.615 3.586 7.502 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -9.371 2.571 8.121 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.999 4.264 8.826 1.00 0.00 C ATOM 0 H ILE A 98 -12.764 0.756 7.065 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.622 2.048 5.499 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.268 1.620 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -11.024 4.287 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.526 3.385 6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.415 3.169 9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.842 1.640 8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.843 3.127 7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.552 5.180 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.622 3.589 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.096 4.505 9.387 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.837 0.381 5.418 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.623 -0.484 5.394 1.00 0.00 C ATOM 1532 C LYS A 99 -6.744 -0.313 6.671 1.00 0.00 C ATOM 1533 O LYS A 99 -6.756 0.742 7.312 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.780 -0.125 4.137 1.00 0.00 C ATOM 1535 CG LYS A 99 -7.324 -0.664 2.796 1.00 0.00 C ATOM 1536 CD LYS A 99 -6.940 -2.132 2.499 1.00 0.00 C ATOM 1537 CE LYS A 99 -7.441 -2.673 1.146 1.00 0.00 C ATOM 1538 NZ LYS A 99 -8.903 -2.868 1.095 1.00 0.00 N ATOM 0 H LYS A 99 -8.812 1.129 4.725 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.952 -1.523 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.705 0.960 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.769 -0.506 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.411 -0.578 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.955 -0.033 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.854 -2.222 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.335 -2.764 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.147 -1.982 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.948 -3.623 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.172 -3.233 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.188 -3.549 1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.380 -1.959 1.263 1.00 0.00 H new ATOM 1552 N SER A 100 -5.956 -1.347 7.011 1.00 0.00 N ATOM 1553 CA SER A 100 -4.871 -1.232 8.022 1.00 0.00 C ATOM 1554 C SER A 100 -3.798 -2.296 7.681 1.00 0.00 C ATOM 1555 O SER A 100 -3.983 -3.486 7.959 1.00 0.00 O ATOM 1556 CB SER A 100 -5.399 -1.361 9.471 1.00 0.00 C ATOM 1557 OG SER A 100 -4.357 -1.150 10.414 1.00 0.00 O ATOM 0 H SER A 100 -6.044 -2.278 6.604 1.00 0.00 H new ATOM 0 HA SER A 100 -4.427 -0.237 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.196 -0.637 9.637 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.832 -2.351 9.617 1.00 0.00 H new ATOM 0 HG SER A 100 -4.715 -1.235 11.322 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.685 -1.850 7.065 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.593 -2.755 6.595 1.00 0.00 C ATOM 1565 C VAL A 101 -0.335 -2.371 7.417 1.00 0.00 C ATOM 1566 O VAL A 101 0.292 -1.341 7.163 1.00 0.00 O ATOM 1567 CB VAL A 101 -1.380 -2.678 5.046 1.00 0.00 C ATOM 1568 CG1 VAL A 101 -0.213 -3.569 4.549 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.651 -3.085 4.265 1.00 0.00 C ATOM 0 H VAL A 101 -2.509 -0.863 6.876 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.844 -3.802 6.763 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.138 -1.633 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.116 -3.472 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.715 -3.253 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.416 -4.609 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.458 -3.017 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.922 -4.109 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.470 -2.416 4.529 1.00 0.00 H new ATOM 1579 N THR A 102 0.012 -3.228 8.387 1.00 0.00 N ATOM 1580 CA THR A 102 1.065 -2.940 9.402 1.00 0.00 C ATOM 1581 C THR A 102 2.321 -3.763 8.985 1.00 0.00 C ATOM 1582 O THR A 102 2.437 -4.942 9.334 1.00 0.00 O ATOM 1583 CB THR A 102 0.488 -3.274 10.817 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.750 -2.601 11.034 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.400 -2.902 11.993 1.00 0.00 C ATOM 0 H THR A 102 -0.423 -4.144 8.500 1.00 0.00 H new ATOM 0 HA THR A 102 1.366 -1.894 9.451 1.00 0.00 H new ATOM 0 HB THR A 102 0.377 -4.358 10.800 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.736 -2.165 11.911 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.913 -3.172 12.930 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.344 -3.440 11.906 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.592 -1.829 11.980 1.00 0.00 H new ATOM 1593 N GLU A 103 3.222 -3.145 8.192 1.00 0.00 N ATOM 1594 CA GLU A 103 4.323 -3.866 7.494 1.00 0.00 C ATOM 1595 C GLU A 103 5.687 -3.519 8.145 1.00 0.00 C ATOM 1596 O GLU A 103 6.162 -2.384 8.074 1.00 0.00 O ATOM 1597 CB GLU A 103 4.288 -3.520 5.982 1.00 0.00 C ATOM 1598 CG GLU A 103 5.261 -4.350 5.113 1.00 0.00 C ATOM 1599 CD GLU A 103 5.185 -3.988 3.628 1.00 0.00 C ATOM 1600 OE1 GLU A 103 4.255 -4.455 2.936 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.058 -3.232 3.144 1.00 0.00 O ATOM 0 H GLU A 103 3.213 -2.141 8.014 1.00 0.00 H new ATOM 0 HA GLU A 103 4.187 -4.943 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.274 -3.668 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.522 -2.463 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.280 -4.196 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.037 -5.410 5.236 1.00 0.00 H new ATOM 1608 N LEU A 104 6.326 -4.543 8.724 1.00 0.00 N ATOM 1609 CA LEU A 104 7.626 -4.424 9.429 1.00 0.00 C ATOM 1610 C LEU A 104 8.784 -4.550 8.392 1.00 0.00 C ATOM 1611 O LEU A 104 8.916 -5.575 7.717 1.00 0.00 O ATOM 1612 CB LEU A 104 7.617 -5.567 10.484 1.00 0.00 C ATOM 1613 CG LEU A 104 8.663 -5.632 11.630 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.607 -7.036 12.265 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.116 -5.308 11.264 1.00 0.00 C ATOM 0 H LEU A 104 5.957 -5.494 8.721 1.00 0.00 H new ATOM 0 HA LEU A 104 7.775 -3.464 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.634 -5.554 10.955 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.694 -6.505 9.934 1.00 0.00 H new ATOM 0 HG LEU A 104 8.374 -4.835 12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.336 -7.099 13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.608 -7.216 12.663 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.837 -7.787 11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.742 -5.390 12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.466 -6.011 10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.175 -4.293 10.871 1.00 0.00 H new ATOM 1627 N ASN A 105 9.610 -3.496 8.288 1.00 0.00 N ATOM 1628 CA ASN A 105 10.745 -3.427 7.324 1.00 0.00 C ATOM 1629 C ASN A 105 12.082 -3.322 8.116 1.00 0.00 C ATOM 1630 O ASN A 105 12.644 -2.232 8.273 1.00 0.00 O ATOM 1631 CB ASN A 105 10.542 -2.230 6.350 1.00 0.00 C ATOM 1632 CG ASN A 105 9.449 -2.418 5.278 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.693 -2.947 4.194 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.232 -1.985 5.562 1.00 0.00 N ATOM 0 H ASN A 105 9.518 -2.661 8.867 1.00 0.00 H new ATOM 0 HA ASN A 105 10.783 -4.332 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.300 -1.344 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.488 -2.030 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.482 -2.088 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.044 -1.548 6.464 1.00 0.00 H new ATOM 1641 N GLY A 106 12.587 -4.464 8.621 1.00 0.00 N ATOM 1642 CA GLY A 106 13.820 -4.496 9.451 1.00 0.00 C ATOM 1643 C GLY A 106 13.505 -4.288 10.943 1.00 0.00 C ATOM 1644 O GLY A 106 13.262 -5.262 11.659 1.00 0.00 O ATOM 0 H GLY A 106 12.164 -5.380 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.326 -5.452 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.507 -3.721 9.112 1.00 0.00 H new ATOM 1648 N ASP A 107 13.457 -3.016 11.376 1.00 0.00 N ATOM 1649 CA ASP A 107 12.640 -2.597 12.553 1.00 0.00 C ATOM 1650 C ASP A 107 11.941 -1.232 12.238 1.00 0.00 C ATOM 1651 O ASP A 107 12.148 -0.233 12.937 1.00 0.00 O ATOM 1652 CB ASP A 107 13.487 -2.573 13.860 1.00 0.00 C ATOM 1653 CG ASP A 107 13.802 -3.949 14.459 1.00 0.00 C ATOM 1654 OD1 ASP A 107 12.902 -4.556 15.081 1.00 0.00 O ATOM 1655 OD2 ASP A 107 14.948 -4.428 14.309 1.00 0.00 O ATOM 0 H ASP A 107 13.971 -2.253 10.936 1.00 0.00 H new ATOM 0 HA ASP A 107 11.857 -3.333 12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.427 -2.060 13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 107 12.957 -1.982 14.607 1.00 0.00 H new ATOM 1660 N ILE A 108 11.100 -1.202 11.179 1.00 0.00 N ATOM 1661 CA ILE A 108 10.467 0.043 10.657 1.00 0.00 C ATOM 1662 C ILE A 108 9.007 -0.374 10.303 1.00 0.00 C ATOM 1663 O ILE A 108 8.738 -0.817 9.181 1.00 0.00 O ATOM 1664 CB ILE A 108 11.245 0.634 9.416 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.776 0.857 9.588 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.582 1.912 8.844 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.210 1.982 10.538 1.00 0.00 C ATOM 0 H ILE A 108 10.837 -2.039 10.658 1.00 0.00 H new ATOM 0 HA ILE A 108 10.488 0.849 11.390 1.00 0.00 H new ATOM 0 HB ILE A 108 11.159 -0.179 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.217 -0.075 9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.202 1.059 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.161 2.273 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.567 1.682 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.552 2.682 9.615 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.298 2.033 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.812 2.932 10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.828 1.781 11.539 1.00 0.00 H new ATOM 1679 N ILE A 109 8.060 -0.221 11.248 1.00 0.00 N ATOM 1680 CA ILE A 109 6.642 -0.625 11.030 1.00 0.00 C ATOM 1681 C ILE A 109 5.914 0.556 10.335 1.00 0.00 C ATOM 1682 O ILE A 109 5.718 1.625 10.916 1.00 0.00 O ATOM 1683 CB ILE A 109 5.970 -1.147 12.342 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.537 -2.538 12.737 1.00 0.00 C ATOM 1685 CG2 ILE A 109 4.419 -1.200 12.267 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.149 -2.980 14.142 1.00 0.00 C ATOM 0 H ILE A 109 8.242 0.177 12.169 1.00 0.00 H new ATOM 0 HA ILE A 109 6.577 -1.487 10.366 1.00 0.00 H new ATOM 0 HB ILE A 109 6.218 -0.420 13.115 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.184 -3.281 12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.624 -2.513 12.661 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.022 -1.571 13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.029 -0.200 12.078 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.116 -1.866 11.459 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.581 -3.960 14.347 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.525 -2.258 14.867 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.063 -3.039 14.218 1.00 0.00 H new ATOM 1698 N THR A 110 5.488 0.290 9.098 1.00 0.00 N ATOM 1699 CA THR A 110 4.778 1.276 8.247 1.00 0.00 C ATOM 1700 C THR A 110 3.277 0.861 8.232 1.00 0.00 C ATOM 1701 O THR A 110 2.876 -0.052 7.505 1.00 0.00 O ATOM 1702 CB THR A 110 5.448 1.329 6.840 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.826 1.676 6.964 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.812 2.362 5.894 1.00 0.00 C ATOM 0 H THR A 110 5.621 -0.615 8.647 1.00 0.00 H new ATOM 0 HA THR A 110 4.841 2.294 8.631 1.00 0.00 H new ATOM 0 HB THR A 110 5.309 0.334 6.417 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.237 1.705 6.075 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.329 2.343 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.760 2.119 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.896 3.357 6.332 1.00 0.00 H new ATOM 1712 N ASN A 111 2.470 1.554 9.057 1.00 0.00 N ATOM 1713 CA ASN A 111 1.015 1.300 9.204 1.00 0.00 C ATOM 1714 C ASN A 111 0.248 2.267 8.266 1.00 0.00 C ATOM 1715 O ASN A 111 0.125 3.463 8.544 1.00 0.00 O ATOM 1716 CB ASN A 111 0.658 1.410 10.714 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.838 1.506 11.074 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.362 2.596 11.301 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.551 0.394 11.119 1.00 0.00 N ATOM 0 H ASN A 111 2.808 2.314 9.648 1.00 0.00 H new ATOM 0 HA ASN A 111 0.719 0.298 8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.074 0.542 11.225 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.161 2.289 11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.545 0.434 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.107 -0.504 10.929 1.00 0.00 H new ATOM 1726 N THR A 112 -0.271 1.703 7.164 1.00 0.00 N ATOM 1727 CA THR A 112 -0.910 2.477 6.075 1.00 0.00 C ATOM 1728 C THR A 112 -2.449 2.280 6.198 1.00 0.00 C ATOM 1729 O THR A 112 -2.997 1.263 5.755 1.00 0.00 O ATOM 1730 CB THR A 112 -0.307 2.019 4.713 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.115 2.131 4.731 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.797 2.857 3.527 1.00 0.00 C ATOM 0 H THR A 112 -0.262 0.697 6.998 1.00 0.00 H new ATOM 0 HA THR A 112 -0.717 3.548 6.143 1.00 0.00 H new ATOM 0 HB THR A 112 -0.633 0.987 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.477 1.838 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.341 2.488 2.608 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.882 2.780 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.517 3.900 3.678 1.00 0.00 H new ATOM 1740 N MET A 113 -3.122 3.273 6.809 1.00 0.00 N ATOM 1741 CA MET A 113 -4.595 3.275 6.980 1.00 0.00 C ATOM 1742 C MET A 113 -5.225 4.210 5.921 1.00 0.00 C ATOM 1743 O MET A 113 -5.092 5.433 6.001 1.00 0.00 O ATOM 1744 CB MET A 113 -4.997 3.689 8.422 1.00 0.00 C ATOM 1745 CG MET A 113 -4.787 2.607 9.477 1.00 0.00 C ATOM 1746 SD MET A 113 -5.788 3.038 10.909 1.00 0.00 S ATOM 1747 CE MET A 113 -4.582 2.748 12.197 1.00 0.00 C ATOM 0 H MET A 113 -2.665 4.097 7.199 1.00 0.00 H new ATOM 0 HA MET A 113 -4.975 2.264 6.831 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.423 4.571 8.706 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.048 3.979 8.423 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.077 1.631 9.087 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.734 2.540 9.752 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.074 2.774 13.169 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.120 1.772 12.050 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.815 3.522 12.158 1.00 0.00 H new ATOM 1757 N THR A 114 -5.902 3.614 4.925 1.00 0.00 N ATOM 1758 CA THR A 114 -6.457 4.359 3.765 1.00 0.00 C ATOM 1759 C THR A 114 -8.008 4.287 3.845 1.00 0.00 C ATOM 1760 O THR A 114 -8.608 3.214 3.726 1.00 0.00 O ATOM 1761 CB THR A 114 -5.872 3.799 2.435 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.446 3.857 2.461 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.324 4.558 1.174 1.00 0.00 C ATOM 0 H THR A 114 -6.083 2.611 4.894 1.00 0.00 H new ATOM 0 HA THR A 114 -6.169 5.410 3.791 1.00 0.00 H new ATOM 0 HB THR A 114 -6.249 2.778 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.089 3.501 1.621 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.871 4.103 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.410 4.509 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.012 5.600 1.245 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.634 5.467 3.995 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.107 5.643 3.820 1.00 0.00 C ATOM 1773 C LEU A 115 -10.625 5.680 2.343 1.00 0.00 C ATOM 1774 O LEU A 115 -11.786 5.330 2.110 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.636 6.801 4.716 1.00 0.00 C ATOM 1776 CG LEU A 115 -10.128 8.250 4.464 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.841 8.945 3.289 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -10.289 9.127 5.719 1.00 0.00 C ATOM 0 H LEU A 115 -8.146 6.329 4.240 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.557 4.717 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -11.722 6.814 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.404 6.547 5.750 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.073 8.144 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.442 9.952 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.677 8.374 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.910 9.002 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.925 10.133 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.342 9.173 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.715 8.697 6.540 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.796 6.113 1.374 1.00 0.00 N ATOM 1791 CA GLY A 116 -10.229 6.349 -0.017 1.00 0.00 C ATOM 1792 C GLY A 116 -9.201 7.246 -0.722 1.00 0.00 C ATOM 1793 O GLY A 116 -8.286 6.745 -1.384 1.00 0.00 O ATOM 0 H GLY A 116 -8.808 6.309 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -10.325 5.401 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.211 6.822 -0.029 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.349 8.570 -0.540 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.337 9.570 -0.982 1.00 0.00 C ATOM 1799 C ASP A 117 -7.117 9.699 -0.009 1.00 0.00 C ATOM 1800 O ASP A 117 -5.980 9.775 -0.481 1.00 0.00 O ATOM 1801 CB ASP A 117 -9.069 10.925 -1.207 1.00 0.00 C ATOM 1802 CG ASP A 117 -8.232 12.012 -1.898 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -8.143 12.007 -3.145 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -7.660 12.872 -1.192 1.00 0.00 O ATOM 0 H ASP A 117 -10.164 8.984 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.890 9.230 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.963 10.742 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.403 11.305 -0.241 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.355 9.768 1.319 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.323 10.150 2.324 1.00 0.00 C ATOM 1811 C ILE A 118 -5.577 8.856 2.775 1.00 0.00 C ATOM 1812 O ILE A 118 -6.197 7.895 3.243 1.00 0.00 O ATOM 1813 CB ILE A 118 -6.982 10.959 3.501 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -7.584 12.321 3.022 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.001 11.207 4.678 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -8.596 12.971 3.977 1.00 0.00 C ATOM 0 H ILE A 118 -8.265 9.562 1.730 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.578 10.822 1.897 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.795 10.329 3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.765 13.022 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.069 12.165 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.508 11.769 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.663 10.251 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.142 11.775 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.950 13.909 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.441 12.298 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.117 13.168 4.936 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.237 8.889 2.653 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.349 7.748 3.009 1.00 0.00 C ATOM 1830 C VAL A 119 -2.610 8.170 4.317 1.00 0.00 C ATOM 1831 O VAL A 119 -1.639 8.935 4.279 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.385 7.396 1.819 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.435 6.222 2.148 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -3.113 7.042 0.497 1.00 0.00 C ATOM 0 H VAL A 119 -3.732 9.704 2.305 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.905 6.828 3.188 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.820 8.317 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.792 6.023 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.820 6.482 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.022 5.332 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.377 6.812 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.755 6.176 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.720 7.889 0.178 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.077 7.644 5.465 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.461 7.898 6.795 1.00 0.00 C ATOM 1846 C PHE A 120 -1.317 6.884 7.058 1.00 0.00 C ATOM 1847 O PHE A 120 -1.569 5.747 7.466 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.572 7.852 7.876 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.207 8.010 9.369 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.206 8.885 9.809 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.991 7.345 10.318 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.041 9.143 11.168 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.832 7.612 11.673 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.870 8.521 12.094 1.00 0.00 C ATOM 0 H PHE A 120 -3.891 7.031 5.504 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.006 8.888 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.292 8.634 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.089 6.899 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.557 9.363 9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.724 6.620 9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.272 9.824 11.501 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.457 7.112 12.399 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.766 8.745 13.145 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.066 7.319 6.831 1.00 0.00 N ATOM 1865 CA LYS A 121 1.121 6.429 6.904 1.00 0.00 C ATOM 1866 C LYS A 121 1.945 6.776 8.175 1.00 0.00 C ATOM 1867 O LYS A 121 2.613 7.812 8.233 1.00 0.00 O ATOM 1868 CB LYS A 121 1.900 6.555 5.568 1.00 0.00 C ATOM 1869 CG LYS A 121 2.975 5.467 5.358 1.00 0.00 C ATOM 1870 CD LYS A 121 3.694 5.529 3.994 1.00 0.00 C ATOM 1871 CE LYS A 121 2.833 5.057 2.804 1.00 0.00 C ATOM 1872 NZ LYS A 121 3.592 5.090 1.542 1.00 0.00 N ATOM 0 H LYS A 121 0.157 8.286 6.594 1.00 0.00 H new ATOM 0 HA LYS A 121 0.850 5.379 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.191 6.514 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.377 7.534 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.719 5.552 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.508 4.488 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.015 6.554 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.594 4.917 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.478 4.043 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.952 5.692 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.984 4.767 0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.909 6.062 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.419 4.464 1.618 1.00 0.00 H new ATOM 1886 N ARG A 122 1.884 5.883 9.180 1.00 0.00 N ATOM 1887 CA ARG A 122 2.641 6.013 10.452 1.00 0.00 C ATOM 1888 C ARG A 122 3.928 5.148 10.364 1.00 0.00 C ATOM 1889 O ARG A 122 3.851 3.917 10.333 1.00 0.00 O ATOM 1890 CB ARG A 122 1.768 5.531 11.644 1.00 0.00 C ATOM 1891 CG ARG A 122 0.777 6.570 12.204 1.00 0.00 C ATOM 1892 CD ARG A 122 0.198 6.118 13.558 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.628 7.187 14.165 1.00 0.00 N ATOM 1894 CZ ARG A 122 -0.993 7.231 15.459 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -0.619 6.338 16.371 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -1.770 8.221 15.848 1.00 0.00 N ATOM 0 H ARG A 122 1.306 5.043 9.138 1.00 0.00 H new ATOM 0 HA ARG A 122 2.907 7.058 10.612 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.206 4.652 11.328 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.429 5.214 12.451 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.281 7.529 12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.034 6.723 11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.406 5.222 13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.010 5.853 14.235 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.943 7.944 13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.017 5.558 16.105 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.934 6.433 17.337 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.076 8.924 15.175 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.066 8.285 16.822 1.00 0.00 H new ATOM 1910 N ILE A 123 5.104 5.800 10.367 1.00 0.00 N ATOM 1911 CA ILE A 123 6.421 5.104 10.326 1.00 0.00 C ATOM 1912 C ILE A 123 6.918 5.043 11.803 1.00 0.00 C ATOM 1913 O ILE A 123 7.414 6.041 12.332 1.00 0.00 O ATOM 1914 CB ILE A 123 7.428 5.795 9.333 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.981 5.819 7.834 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.818 5.113 9.381 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.001 6.928 7.426 1.00 0.00 C ATOM 0 H ILE A 123 5.178 6.817 10.398 1.00 0.00 H new ATOM 0 HA ILE A 123 6.334 4.094 9.926 1.00 0.00 H new ATOM 0 HB ILE A 123 7.462 6.826 9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.873 5.908 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.524 4.858 7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.492 5.612 8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.223 5.182 10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.719 4.064 9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.769 6.836 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.084 6.835 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.453 7.901 7.616 1.00 0.00 H new ATOM 1929 N SER A 124 6.791 3.862 12.439 1.00 0.00 N ATOM 1930 CA SER A 124 7.247 3.637 13.837 1.00 0.00 C ATOM 1931 C SER A 124 8.614 2.901 13.845 1.00 0.00 C ATOM 1932 O SER A 124 8.703 1.706 13.546 1.00 0.00 O ATOM 1933 CB SER A 124 6.177 2.912 14.689 1.00 0.00 C ATOM 1934 OG SER A 124 5.864 1.616 14.206 1.00 0.00 O ATOM 0 H SER A 124 6.373 3.038 12.007 1.00 0.00 H new ATOM 0 HA SER A 124 7.391 4.609 14.309 1.00 0.00 H new ATOM 0 HB2 SER A 124 6.532 2.834 15.717 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.269 3.514 14.710 1.00 0.00 H new ATOM 0 HG SER A 124 5.186 1.207 14.783 1.00 0.00 H new ATOM 1940 N LYS A 125 9.671 3.645 14.208 1.00 0.00 N ATOM 1941 CA LYS A 125 11.045 3.103 14.377 1.00 0.00 C ATOM 1942 C LYS A 125 11.244 2.617 15.843 1.00 0.00 C ATOM 1943 O LYS A 125 10.701 3.204 16.786 1.00 0.00 O ATOM 1944 CB LYS A 125 12.023 4.245 13.977 1.00 0.00 C ATOM 1945 CG LYS A 125 13.525 3.879 13.954 1.00 0.00 C ATOM 1946 CD LYS A 125 14.406 5.022 13.415 1.00 0.00 C ATOM 1947 CE LYS A 125 15.904 4.669 13.409 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.711 5.769 12.850 1.00 0.00 N ATOM 0 H LYS A 125 9.605 4.645 14.395 1.00 0.00 H new ATOM 0 HA LYS A 125 11.231 2.234 13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.743 4.605 12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.883 5.075 14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.848 3.621 14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.669 2.992 13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.092 5.269 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.250 5.913 14.023 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.233 4.454 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.064 3.764 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.716 5.502 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.412 5.957 11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.575 6.626 13.424 1.00 0.00 H new ATOM 1962 N ARG A 126 12.073 1.570 16.036 1.00 0.00 N ATOM 1963 CA ARG A 126 12.439 1.061 17.391 1.00 0.00 C ATOM 1964 C ARG A 126 13.088 2.140 18.318 1.00 0.00 C ATOM 1965 O ARG A 126 13.899 2.959 17.874 1.00 0.00 O ATOM 1966 CB ARG A 126 13.288 -0.235 17.316 1.00 0.00 C ATOM 1967 CG ARG A 126 14.649 -0.144 16.592 1.00 0.00 C ATOM 1968 CD ARG A 126 15.490 -1.419 16.762 1.00 0.00 C ATOM 1969 NE ARG A 126 16.670 -1.368 15.872 1.00 0.00 N ATOM 1970 CZ ARG A 126 17.568 -2.362 15.736 1.00 0.00 C ATOM 1971 NH1 ARG A 126 17.530 -3.499 16.427 1.00 0.00 N ATOM 1972 NH2 ARG A 126 18.548 -2.197 14.867 1.00 0.00 N ATOM 0 H ARG A 126 12.508 1.053 15.272 1.00 0.00 H new ATOM 0 HA ARG A 126 11.494 0.803 17.869 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.469 -0.580 18.334 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.692 -1.002 16.821 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.481 0.038 15.531 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.206 0.710 16.978 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.810 -1.518 17.799 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.886 -2.296 16.530 1.00 0.00 H new ATOM 0 HE ARG A 126 16.814 -0.521 15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.788 -3.657 17.109 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.243 -4.212 16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.608 -1.336 14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.245 -2.930 14.739 1.00 0.00 H new ATOM 1986 N ILE A 127 12.675 2.139 19.599 1.00 0.00 N ATOM 1987 CA ILE A 127 12.964 3.240 20.556 1.00 0.00 C ATOM 1988 C ILE A 127 14.428 3.168 21.047 1.00 0.00 C ATOM 1989 O ILE A 127 15.272 3.965 20.637 1.00 0.00 O ATOM 1990 CB ILE A 127 11.899 3.239 21.709 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.883 4.591 22.482 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.006 2.020 22.666 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.734 4.784 23.487 1.00 0.00 C ATOM 0 H ILE A 127 12.131 1.378 20.006 1.00 0.00 H new ATOM 0 HA ILE A 127 12.873 4.204 20.056 1.00 0.00 H new ATOM 0 HB ILE A 127 10.934 3.129 21.214 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.827 4.691 23.017 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.842 5.401 21.754 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.237 2.092 23.435 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.867 1.099 22.099 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.989 2.012 23.136 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.827 5.760 23.963 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.779 4.725 22.964 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.780 4.004 24.247 1.00 0.00 H new TER 2005 ILE A 127