USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 101 THR OG1 : rot 180:sc= 0.00715 USER MOD Set 1.2: A 114 THR OG1 : rot 107:sc= 0.00891 USER MOD Set 2.1: A 103 HIS : no HD1:sc= -0.246 X(o=0.017,f=-0.051) USER MOD Set 2.2: A 112 ASN : amide:sc= 0.262 X(o=0.017,f=-0.051) USER MOD Set 3.1: A 63 CYS SG : rot 180:sc= -0.223 USER MOD Set 3.2: A 90 CYS SG : rot 180:sc= -0.0471 USER MOD Set 4.1: A 75 ASN : amide:sc= -0.68 K(o=-0.14,f=-4.8!) USER MOD Set 4.2: A 121 SER OG : rot 5:sc= 0.538 USER MOD Set 5.1: A 43 TYR OH : rot -10:sc= 0.325 USER MOD Set 5.2: A 46 THR OG1 : rot 180:sc= 0.303 USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= 1.07 USER MOD Set 6.2: A 50 THR OG1 : rot -65:sc= 1.24 USER MOD Single : A 26 GLN : amide:sc= 0.746 K(o=0.75,f=-0.17) USER MOD Single : A 33 TYR OH : rot 157:sc= 0.13 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.36 K(o=1.4,f=-5.3!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -156:sc= -0.26 (180deg=-1.54) USER MOD Single : A 52 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.2) 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 58 GLN : amide:sc= 0.448 K(o=0.45,f=-0.068) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 68 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -160:sc= -0.318 (180deg=-0.61) USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.314 USER MOD Single : A 78 SER OG : rot 170:sc= 1.03 USER MOD Single : A 82 MET CE :methyl -132:sc= -4.07 (180deg=-7.81!) USER MOD Single : A 83 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.6!) USER MOD Single : A 94 THR OG1 : rot -27:sc= 0.588 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -138:sc= -0.218 (180deg=-4.77!) USER MOD Single : A 98 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.054) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.767 K(o=-0.77,f=-0.11) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -8.389 -18.385 5.148 1.00 0.00 N ATOM 2 CA GLY A 25 -7.404 -17.322 5.322 1.00 0.00 C ATOM 3 C GLY A 25 -6.502 -17.551 6.527 1.00 0.00 C ATOM 4 O GLY A 25 -6.638 -16.862 7.538 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.792 -17.248 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.920 -16.369 5.435 1.00 0.00 H new ATOM 8 N GLN A 26 -5.562 -18.492 6.432 1.00 0.00 N ATOM 9 CA GLN A 26 -4.453 -18.611 7.368 1.00 0.00 C ATOM 10 C GLN A 26 -3.515 -17.434 7.135 1.00 0.00 C ATOM 11 O GLN A 26 -3.379 -16.982 5.995 1.00 0.00 O ATOM 12 CB GLN A 26 -3.745 -19.956 7.105 1.00 0.00 C ATOM 13 CG GLN A 26 -2.387 -20.153 7.804 1.00 0.00 C ATOM 14 CD GLN A 26 -2.483 -20.111 9.327 1.00 0.00 C ATOM 15 OE1 GLN A 26 -3.418 -20.640 9.922 1.00 0.00 O ATOM 16 NE2 GLN A 26 -1.516 -19.487 9.974 1.00 0.00 N ATOM 0 H GLN A 26 -5.552 -19.197 5.695 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.789 -18.592 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.411 -20.761 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.597 -20.062 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.964 -21.110 7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.697 -19.379 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.751 -19.056 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.534 -19.436 10.993 1.00 0.00 H new ATOM 25 N GLU A 27 -2.786 -17.006 8.162 1.00 0.00 N ATOM 26 CA GLU A 27 -1.810 -15.957 8.051 1.00 0.00 C ATOM 27 C GLU A 27 -0.418 -16.508 7.905 1.00 0.00 C ATOM 28 O GLU A 27 -0.074 -17.567 8.442 1.00 0.00 O ATOM 29 CB GLU A 27 -1.944 -14.959 9.175 1.00 0.00 C ATOM 30 CG GLU A 27 -1.155 -15.206 10.442 1.00 0.00 C ATOM 31 CD GLU A 27 -1.743 -16.227 11.420 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.231 -16.318 12.564 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.693 -16.964 11.080 1.00 0.00 O ATOM 0 H GLU A 27 -2.867 -17.392 9.103 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.010 -15.406 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.658 -13.981 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.998 -14.899 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.155 -15.537 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.042 -14.257 10.965 1.00 0.00 H new ATOM 41 N LEU A 28 0.385 -15.758 7.158 1.00 0.00 N ATOM 42 CA LEU A 28 1.761 -16.122 6.899 1.00 0.00 C ATOM 43 C LEU A 28 2.746 -14.956 6.661 1.00 0.00 C ATOM 44 O LEU A 28 3.469 -14.955 5.663 1.00 0.00 O ATOM 45 CB LEU A 28 1.783 -17.220 5.808 1.00 0.00 C ATOM 46 CG LEU A 28 0.989 -17.007 4.489 1.00 0.00 C ATOM 47 CD1 LEU A 28 -0.491 -17.389 4.602 1.00 0.00 C ATOM 48 CD2 LEU A 28 1.013 -15.573 3.953 1.00 0.00 C ATOM 0 H LEU A 28 0.095 -14.884 6.719 1.00 0.00 H new ATOM 0 HA LEU A 28 2.169 -16.527 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.825 -17.390 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.417 -18.140 6.264 1.00 0.00 H new ATOM 0 HG LEU A 28 1.517 -17.668 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.986 -17.216 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.576 -18.443 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.966 -16.781 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.434 -15.519 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.580 -14.901 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.043 -15.277 3.752 1.00 0.00 H new ATOM 60 N PRO A 29 2.849 -13.974 7.572 1.00 0.00 N ATOM 61 CA PRO A 29 3.777 -12.857 7.456 1.00 0.00 C ATOM 62 C PRO A 29 5.197 -13.229 7.910 1.00 0.00 C ATOM 63 O PRO A 29 5.406 -13.457 9.101 1.00 0.00 O ATOM 64 CB PRO A 29 3.199 -11.755 8.344 1.00 0.00 C ATOM 65 CG PRO A 29 2.451 -12.535 9.430 1.00 0.00 C ATOM 66 CD PRO A 29 2.065 -13.859 8.789 1.00 0.00 C ATOM 0 HA PRO A 29 3.876 -12.544 6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.983 -11.127 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.530 -11.099 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.082 -12.692 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.569 -11.990 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.271 -14.691 9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.998 -13.886 8.567 1.00 0.00 H new ATOM 74 N PRO A 30 6.206 -13.207 7.021 1.00 0.00 N ATOM 75 CA PRO A 30 7.598 -13.135 7.433 1.00 0.00 C ATOM 76 C PRO A 30 8.024 -11.699 7.789 1.00 0.00 C ATOM 77 O PRO A 30 9.074 -11.515 8.404 1.00 0.00 O ATOM 78 CB PRO A 30 8.367 -13.632 6.210 1.00 0.00 C ATOM 79 CG PRO A 30 7.564 -13.029 5.059 1.00 0.00 C ATOM 80 CD PRO A 30 6.130 -13.191 5.568 1.00 0.00 C ATOM 0 HA PRO A 30 7.785 -13.723 8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.401 -13.286 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.395 -14.721 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.821 -11.984 4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.729 -13.560 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.501 -12.371 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.687 -14.114 5.193 1.00 0.00 H new ATOM 88 N GLY A 31 7.255 -10.669 7.394 1.00 0.00 N ATOM 89 CA GLY A 31 7.706 -9.285 7.452 1.00 0.00 C ATOM 90 C GLY A 31 8.711 -8.989 6.333 1.00 0.00 C ATOM 91 O GLY A 31 9.718 -9.677 6.191 1.00 0.00 O ATOM 0 H GLY A 31 6.309 -10.781 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.850 -8.616 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.166 -9.089 8.420 1.00 0.00 H new ATOM 95 N THR A 32 8.418 -7.955 5.547 1.00 0.00 N ATOM 96 CA THR A 32 9.195 -7.418 4.429 1.00 0.00 C ATOM 97 C THR A 32 9.548 -8.440 3.347 1.00 0.00 C ATOM 98 O THR A 32 10.500 -9.212 3.449 1.00 0.00 O ATOM 99 CB THR A 32 10.328 -6.487 4.896 1.00 0.00 C ATOM 100 OG1 THR A 32 9.788 -5.596 5.859 1.00 0.00 O ATOM 101 CG2 THR A 32 10.850 -5.610 3.746 1.00 0.00 C ATOM 0 H THR A 32 7.558 -7.425 5.687 1.00 0.00 H new ATOM 0 HA THR A 32 8.526 -6.758 3.877 1.00 0.00 H new ATOM 0 HB THR A 32 11.138 -7.105 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.491 -4.991 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.649 -4.966 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.234 -6.246 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.037 -4.995 3.359 1.00 0.00 H new ATOM 109 N TYR A 33 8.760 -8.397 2.270 1.00 0.00 N ATOM 110 CA TYR A 33 8.953 -9.154 1.043 1.00 0.00 C ATOM 111 C TYR A 33 9.168 -8.166 -0.112 1.00 0.00 C ATOM 112 O TYR A 33 8.697 -7.031 -0.013 1.00 0.00 O ATOM 113 CB TYR A 33 7.765 -10.110 0.845 1.00 0.00 C ATOM 114 CG TYR A 33 6.455 -9.609 0.245 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.852 -8.396 0.625 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.778 -10.432 -0.668 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.588 -8.013 0.143 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.582 -10.000 -1.256 1.00 0.00 C ATOM 119 CZ TYR A 33 3.959 -8.811 -0.830 1.00 0.00 C ATOM 120 OH TYR A 33 2.766 -8.422 -1.354 1.00 0.00 O ATOM 0 H TYR A 33 7.932 -7.803 2.234 1.00 0.00 H new ATOM 0 HA TYR A 33 9.842 -9.784 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.114 -10.929 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.529 -10.535 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.375 -7.741 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.181 -11.402 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.107 -7.120 0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.133 -10.585 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 33 2.641 -8.842 -2.231 1.00 0.00 H new ATOM 130 N ARG A 34 9.862 -8.537 -1.198 1.00 0.00 N ATOM 131 CA ARG A 34 10.094 -7.635 -2.333 1.00 0.00 C ATOM 132 C ARG A 34 9.383 -8.185 -3.540 1.00 0.00 C ATOM 133 O ARG A 34 9.625 -9.330 -3.917 1.00 0.00 O ATOM 134 CB ARG A 34 11.584 -7.412 -2.628 1.00 0.00 C ATOM 135 CG ARG A 34 11.815 -6.058 -3.319 1.00 0.00 C ATOM 136 CD ARG A 34 11.281 -5.767 -4.712 1.00 0.00 C ATOM 137 NE ARG A 34 11.771 -6.739 -5.667 1.00 0.00 N ATOM 138 CZ ARG A 34 12.724 -6.566 -6.578 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.360 -5.402 -6.698 1.00 0.00 N ATOM 140 NH2 ARG A 34 12.991 -7.592 -7.363 1.00 0.00 N ATOM 0 H ARG A 34 10.275 -9.463 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 34 9.694 -6.655 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.152 -7.451 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.957 -8.216 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.406 -5.293 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.893 -5.903 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.191 -5.782 -4.698 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.582 -4.766 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 34 11.336 -7.661 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.119 -4.623 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.088 -5.289 -7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.475 -8.465 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.713 -7.512 -8.079 1.00 0.00 H new ATOM 154 N VAL A 35 8.496 -7.388 -4.123 1.00 0.00 N ATOM 155 CA VAL A 35 7.504 -7.867 -5.065 1.00 0.00 C ATOM 156 C VAL A 35 7.063 -6.762 -6.033 1.00 0.00 C ATOM 157 O VAL A 35 7.390 -5.594 -5.806 1.00 0.00 O ATOM 158 CB VAL A 35 6.305 -8.366 -4.256 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.635 -9.721 -3.648 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.928 -7.415 -3.113 1.00 0.00 C ATOM 0 H VAL A 35 8.448 -6.384 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 35 7.931 -8.667 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 35 5.462 -8.428 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.782 -10.078 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.859 -10.432 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.501 -9.625 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.072 -7.818 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.772 -7.313 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.672 -6.438 -3.522 1.00 0.00 H new ATOM 170 N ASP A 36 6.294 -7.114 -7.070 1.00 0.00 N ATOM 171 CA ASP A 36 5.611 -6.215 -7.994 1.00 0.00 C ATOM 172 C ASP A 36 4.312 -5.791 -7.341 1.00 0.00 C ATOM 173 O ASP A 36 3.452 -6.609 -7.007 1.00 0.00 O ATOM 174 CB ASP A 36 5.308 -6.843 -9.368 1.00 0.00 C ATOM 175 CG ASP A 36 4.518 -8.149 -9.366 1.00 0.00 C ATOM 176 OD1 ASP A 36 4.879 -9.040 -8.577 1.00 0.00 O ATOM 177 OD2 ASP A 36 3.631 -8.305 -10.236 1.00 0.00 O ATOM 0 H ASP A 36 6.125 -8.094 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 36 6.275 -5.373 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.757 -6.113 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.255 -7.019 -9.878 1.00 0.00 H new ATOM 183 N ILE A 37 4.193 -4.509 -7.024 1.00 0.00 N ATOM 184 CA ILE A 37 2.977 -3.938 -6.478 1.00 0.00 C ATOM 185 C ILE A 37 2.091 -3.674 -7.683 1.00 0.00 C ATOM 186 O ILE A 37 2.474 -3.007 -8.650 1.00 0.00 O ATOM 187 CB ILE A 37 3.275 -2.614 -5.750 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.237 -2.807 -4.560 1.00 0.00 C ATOM 189 CG2 ILE A 37 1.972 -1.957 -5.249 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.048 -1.534 -4.331 1.00 0.00 C ATOM 0 H ILE A 37 4.947 -3.832 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 37 2.510 -4.604 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 37 3.758 -1.962 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.672 -3.054 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.907 -3.644 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.208 -1.024 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.319 -1.751 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.467 -2.631 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.724 -1.680 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.627 -1.305 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.373 -0.706 -4.115 1.00 0.00 H new ATOM 202 N TYR A 38 0.878 -4.170 -7.570 1.00 0.00 N ATOM 203 CA TYR A 38 -0.212 -3.957 -8.493 1.00 0.00 C ATOM 204 C TYR A 38 -1.301 -3.153 -7.781 1.00 0.00 C ATOM 205 O TYR A 38 -1.486 -3.291 -6.573 1.00 0.00 O ATOM 206 CB TYR A 38 -0.689 -5.337 -8.968 1.00 0.00 C ATOM 207 CG TYR A 38 -0.320 -5.642 -10.399 1.00 0.00 C ATOM 208 CD1 TYR A 38 0.945 -6.164 -10.741 1.00 0.00 C ATOM 209 CD2 TYR A 38 -1.277 -5.422 -11.397 1.00 0.00 C ATOM 210 CE1 TYR A 38 1.218 -6.512 -12.076 1.00 0.00 C ATOM 211 CE2 TYR A 38 -1.007 -5.752 -12.733 1.00 0.00 C ATOM 212 CZ TYR A 38 0.231 -6.329 -13.073 1.00 0.00 C ATOM 213 OH TYR A 38 0.467 -6.704 -14.358 1.00 0.00 O ATOM 0 H TYR A 38 0.613 -4.766 -6.786 1.00 0.00 H new ATOM 0 HA TYR A 38 0.084 -3.382 -9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.263 -6.103 -8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.772 -5.395 -8.860 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.701 -6.296 -9.981 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.233 -4.994 -11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.183 -6.920 -12.341 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.746 -5.564 -13.498 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.320 -6.506 -14.907 1.00 0.00 H new ATOM 223 N LEU A 39 -2.031 -2.306 -8.509 1.00 0.00 N ATOM 224 CA LEU A 39 -3.210 -1.602 -8.009 1.00 0.00 C ATOM 225 C LEU A 39 -4.224 -1.510 -9.129 1.00 0.00 C ATOM 226 O LEU A 39 -3.809 -1.288 -10.264 1.00 0.00 O ATOM 227 CB LEU A 39 -2.842 -0.210 -7.490 1.00 0.00 C ATOM 228 CG LEU A 39 -4.057 0.454 -6.795 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.715 1.013 -5.410 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.672 1.559 -7.660 1.00 0.00 C ATOM 0 H LEU A 39 -1.814 -2.087 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.636 -2.153 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.012 -0.286 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.504 0.414 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.790 -0.342 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.604 1.466 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.365 0.205 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.933 1.766 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.521 2.000 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.925 2.329 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.008 1.135 -8.606 1.00 0.00 H new ATOM 242 N ASN A 40 -5.510 -1.692 -8.809 1.00 0.00 N ATOM 243 CA ASN A 40 -6.623 -1.841 -9.758 1.00 0.00 C ATOM 244 C ASN A 40 -6.213 -2.710 -10.945 1.00 0.00 C ATOM 245 O ASN A 40 -6.493 -2.401 -12.101 1.00 0.00 O ATOM 246 CB ASN A 40 -7.210 -0.475 -10.172 1.00 0.00 C ATOM 247 CG ASN A 40 -8.081 0.153 -9.092 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.651 -0.532 -8.244 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.187 1.467 -9.069 1.00 0.00 N ATOM 0 H ASN A 40 -5.819 -1.742 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.435 -2.366 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.394 0.206 -10.414 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.801 -0.600 -11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.744 1.921 -8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.712 2.029 -9.775 1.00 0.00 H new ATOM 256 N ASN A 41 -5.509 -3.812 -10.653 1.00 0.00 N ATOM 257 CA ASN A 41 -5.003 -4.769 -11.635 1.00 0.00 C ATOM 258 C ASN A 41 -4.197 -4.105 -12.769 1.00 0.00 C ATOM 259 O ASN A 41 -4.106 -4.648 -13.865 1.00 0.00 O ATOM 260 CB ASN A 41 -6.147 -5.683 -12.109 1.00 0.00 C ATOM 261 CG ASN A 41 -6.426 -6.769 -11.079 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.943 -7.889 -11.206 1.00 0.00 O ATOM 263 ND2 ASN A 41 -7.112 -6.431 -9.999 1.00 0.00 N ATOM 0 H ASN A 41 -5.271 -4.066 -9.694 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.265 -5.409 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.047 -5.092 -12.275 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.884 -6.138 -13.064 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.249 -7.109 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.504 -5.493 -9.917 1.00 0.00 H new ATOM 270 N GLY A 42 -3.578 -2.944 -12.524 1.00 0.00 N ATOM 271 CA GLY A 42 -2.975 -2.107 -13.556 1.00 0.00 C ATOM 272 C GLY A 42 -1.466 -1.880 -13.418 1.00 0.00 C ATOM 273 O GLY A 42 -0.908 -1.171 -14.245 1.00 0.00 O ATOM 0 H GLY A 42 -3.483 -2.557 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.170 -2.561 -14.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.473 -1.138 -13.551 1.00 0.00 H new ATOM 277 N TYR A 43 -0.805 -2.498 -12.430 1.00 0.00 N ATOM 278 CA TYR A 43 0.623 -2.410 -12.096 1.00 0.00 C ATOM 279 C TYR A 43 1.008 -1.029 -11.561 1.00 0.00 C ATOM 280 O TYR A 43 0.348 -0.033 -11.843 1.00 0.00 O ATOM 281 CB TYR A 43 1.513 -2.855 -13.273 1.00 0.00 C ATOM 282 CG TYR A 43 3.002 -3.012 -12.984 1.00 0.00 C ATOM 283 CD1 TYR A 43 3.462 -3.622 -11.799 1.00 0.00 C ATOM 284 CD2 TYR A 43 3.943 -2.572 -13.937 1.00 0.00 C ATOM 285 CE1 TYR A 43 4.840 -3.769 -11.561 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.320 -2.766 -13.730 1.00 0.00 C ATOM 287 CZ TYR A 43 5.774 -3.380 -12.542 1.00 0.00 C ATOM 288 OH TYR A 43 7.103 -3.611 -12.346 1.00 0.00 O ATOM 0 H TYR A 43 -1.296 -3.124 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 43 0.804 -3.112 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.136 -3.808 -13.643 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.397 -2.131 -14.080 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.751 -3.979 -11.069 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.602 -2.080 -14.836 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.184 -4.181 -10.624 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.030 -2.446 -14.479 1.00 0.00 H new ATOM 0 HH TYR A 43 7.251 -3.907 -11.423 1.00 0.00 H new ATOM 298 N MET A 44 2.061 -0.968 -10.743 1.00 0.00 N ATOM 299 CA MET A 44 2.574 0.282 -10.199 1.00 0.00 C ATOM 300 C MET A 44 4.091 0.320 -10.247 1.00 0.00 C ATOM 301 O MET A 44 4.677 1.131 -10.963 1.00 0.00 O ATOM 302 CB MET A 44 2.077 0.527 -8.759 1.00 0.00 C ATOM 303 CG MET A 44 0.612 0.936 -8.734 1.00 0.00 C ATOM 304 SD MET A 44 0.310 2.426 -9.726 1.00 0.00 S ATOM 305 CE MET A 44 -1.391 2.090 -10.182 1.00 0.00 C ATOM 0 H MET A 44 2.582 -1.791 -10.440 1.00 0.00 H new ATOM 0 HA MET A 44 2.187 1.084 -10.827 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.213 -0.379 -8.168 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.681 1.306 -8.293 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.000 0.117 -9.112 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.303 1.116 -7.704 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.634 2.625 -11.100 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.521 1.019 -10.340 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.054 2.422 -9.383 1.00 0.00 H new ATOM 315 N ALA A 45 4.718 -0.491 -9.409 1.00 0.00 N ATOM 316 CA ALA A 45 6.165 -0.511 -9.208 1.00 0.00 C ATOM 317 C ALA A 45 6.570 -1.881 -8.674 1.00 0.00 C ATOM 318 O ALA A 45 5.737 -2.774 -8.554 1.00 0.00 O ATOM 319 CB ALA A 45 6.577 0.598 -8.224 1.00 0.00 C ATOM 0 H ALA A 45 4.224 -1.173 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 45 6.673 -0.329 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.657 0.575 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.285 1.568 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.081 0.438 -7.267 1.00 0.00 H new ATOM 325 N THR A 46 7.840 -2.054 -8.325 1.00 0.00 N ATOM 326 CA THR A 46 8.352 -3.236 -7.648 1.00 0.00 C ATOM 327 C THR A 46 9.178 -2.720 -6.468 1.00 0.00 C ATOM 328 O THR A 46 10.106 -1.944 -6.700 1.00 0.00 O ATOM 329 CB THR A 46 9.129 -4.076 -8.676 1.00 0.00 C ATOM 330 OG1 THR A 46 8.240 -4.511 -9.689 1.00 0.00 O ATOM 331 CG2 THR A 46 9.829 -5.301 -8.097 1.00 0.00 C ATOM 0 H THR A 46 8.560 -1.356 -8.511 1.00 0.00 H new ATOM 0 HA THR A 46 7.587 -3.902 -7.248 1.00 0.00 H new ATOM 0 HB THR A 46 9.911 -3.422 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.731 -5.046 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.351 -5.832 -8.893 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.547 -4.986 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.090 -5.962 -7.644 1.00 0.00 H new ATOM 339 N ARG A 47 8.804 -3.031 -5.219 1.00 0.00 N ATOM 340 CA ARG A 47 9.437 -2.474 -4.016 1.00 0.00 C ATOM 341 C ARG A 47 9.481 -3.496 -2.891 1.00 0.00 C ATOM 342 O ARG A 47 8.871 -4.559 -2.991 1.00 0.00 O ATOM 343 CB ARG A 47 8.690 -1.208 -3.532 1.00 0.00 C ATOM 344 CG ARG A 47 8.799 0.023 -4.447 1.00 0.00 C ATOM 345 CD ARG A 47 10.251 0.503 -4.441 1.00 0.00 C ATOM 346 NE ARG A 47 10.530 1.567 -5.404 1.00 0.00 N ATOM 347 CZ ARG A 47 11.769 1.971 -5.695 1.00 0.00 C ATOM 348 NH1 ARG A 47 12.822 1.433 -5.088 1.00 0.00 N ATOM 349 NH2 ARG A 47 11.938 2.924 -6.594 1.00 0.00 N ATOM 0 H ARG A 47 8.046 -3.682 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 47 10.458 -2.205 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.635 -1.455 -3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.070 -0.939 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.487 -0.229 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.136 0.815 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.502 0.857 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.904 -0.344 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 47 9.746 2.020 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.689 0.701 -4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.763 1.752 -5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.129 3.340 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.878 3.244 -6.828 1.00 0.00 H new ATOM 363 N ASP A 48 10.247 -3.174 -1.849 1.00 0.00 N ATOM 364 CA ASP A 48 10.433 -3.933 -0.615 1.00 0.00 C ATOM 365 C ASP A 48 9.297 -3.466 0.299 1.00 0.00 C ATOM 366 O ASP A 48 9.126 -2.257 0.472 1.00 0.00 O ATOM 367 CB ASP A 48 11.848 -3.716 -0.023 1.00 0.00 C ATOM 368 CG ASP A 48 12.986 -3.811 -1.065 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.715 -4.826 -1.098 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.120 -2.886 -1.909 1.00 0.00 O ATOM 0 H ASP A 48 10.793 -2.313 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 48 10.384 -5.011 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.885 -2.736 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.021 -4.456 0.758 1.00 0.00 H new ATOM 376 N VAL A 49 8.436 -4.370 0.774 1.00 0.00 N ATOM 377 CA VAL A 49 7.108 -4.044 1.301 1.00 0.00 C ATOM 378 C VAL A 49 6.850 -4.801 2.601 1.00 0.00 C ATOM 379 O VAL A 49 6.898 -6.023 2.632 1.00 0.00 O ATOM 380 CB VAL A 49 6.013 -4.375 0.264 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.625 -3.928 0.773 1.00 0.00 C ATOM 382 CG2 VAL A 49 6.347 -3.820 -1.137 1.00 0.00 C ATOM 0 H VAL A 49 8.646 -5.368 0.804 1.00 0.00 H new ATOM 0 HA VAL A 49 7.076 -2.974 1.507 1.00 0.00 H new ATOM 0 HB VAL A 49 5.979 -5.458 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.868 -4.171 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.395 -4.445 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.631 -2.852 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.547 -4.079 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.446 -2.736 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.284 -4.253 -1.486 1.00 0.00 H new ATOM 392 N THR A 50 6.552 -4.097 3.680 1.00 0.00 N ATOM 393 CA THR A 50 6.329 -4.674 5.000 1.00 0.00 C ATOM 394 C THR A 50 4.836 -4.948 5.178 1.00 0.00 C ATOM 395 O THR A 50 4.009 -4.123 4.789 1.00 0.00 O ATOM 396 CB THR A 50 6.867 -3.668 6.028 1.00 0.00 C ATOM 397 OG1 THR A 50 8.217 -3.386 5.709 1.00 0.00 O ATOM 398 CG2 THR A 50 6.779 -4.178 7.465 1.00 0.00 C ATOM 0 H THR A 50 6.455 -3.082 3.664 1.00 0.00 H new ATOM 0 HA THR A 50 6.846 -5.625 5.130 1.00 0.00 H new ATOM 0 HB THR A 50 6.248 -2.772 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.756 -4.196 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.174 -3.423 8.144 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.738 -4.382 7.716 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.362 -5.094 7.562 1.00 0.00 H new ATOM 406 N PHE A 51 4.474 -6.094 5.762 1.00 0.00 N ATOM 407 CA PHE A 51 3.134 -6.456 6.179 1.00 0.00 C ATOM 408 C PHE A 51 3.230 -7.329 7.424 1.00 0.00 C ATOM 409 O PHE A 51 4.273 -7.943 7.671 1.00 0.00 O ATOM 410 CB PHE A 51 2.421 -7.224 5.061 1.00 0.00 C ATOM 411 CG PHE A 51 3.152 -8.454 4.590 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.336 -8.357 3.835 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.633 -9.702 4.938 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.011 -9.522 3.443 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.258 -10.868 4.453 1.00 0.00 C ATOM 416 CZ PHE A 51 4.435 -10.772 3.692 1.00 0.00 C ATOM 0 H PHE A 51 5.152 -6.828 5.964 1.00 0.00 H new ATOM 0 HA PHE A 51 2.563 -5.554 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.431 -7.516 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.275 -6.555 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.724 -7.388 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.762 -9.773 5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.970 -9.454 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.832 -11.837 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.896 -11.666 3.298 1.00 0.00 H new ATOM 426 N ASN A 52 2.142 -7.364 8.191 1.00 0.00 N ATOM 427 CA ASN A 52 2.009 -7.961 9.518 1.00 0.00 C ATOM 428 C ASN A 52 0.558 -8.392 9.662 1.00 0.00 C ATOM 429 O ASN A 52 -0.258 -8.028 8.815 1.00 0.00 O ATOM 430 CB ASN A 52 2.291 -6.932 10.624 1.00 0.00 C ATOM 431 CG ASN A 52 3.613 -6.211 10.443 1.00 0.00 C ATOM 432 OD1 ASN A 52 4.631 -6.604 11.005 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.610 -5.166 9.630 1.00 0.00 N ATOM 0 H ASN A 52 1.266 -6.945 7.878 1.00 0.00 H new ATOM 0 HA ASN A 52 2.715 -8.786 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.484 -6.199 10.645 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.288 -7.436 11.590 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.475 -4.656 9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.742 -4.871 9.182 1.00 0.00 H new ATOM 440 N THR A 53 0.211 -9.131 10.707 1.00 0.00 N ATOM 441 CA THR A 53 -1.168 -9.529 10.949 1.00 0.00 C ATOM 442 C THR A 53 -2.012 -8.279 11.300 1.00 0.00 C ATOM 443 O THR A 53 -1.479 -7.210 11.610 1.00 0.00 O ATOM 444 CB THR A 53 -1.175 -10.674 11.981 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.127 -11.574 11.663 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.469 -11.487 11.951 1.00 0.00 C ATOM 0 H THR A 53 0.872 -9.469 11.406 1.00 0.00 H new ATOM 0 HA THR A 53 -1.651 -9.939 10.062 1.00 0.00 H new ATOM 0 HB THR A 53 -1.064 -10.217 12.965 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.118 -12.308 12.313 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.418 -12.279 12.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.314 -10.834 12.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.599 -11.928 10.963 1.00 0.00 H new ATOM 454 N GLY A 54 -3.335 -8.379 11.194 1.00 0.00 N ATOM 455 CA GLY A 54 -4.295 -7.290 11.340 1.00 0.00 C ATOM 456 C GLY A 54 -5.714 -7.857 11.300 1.00 0.00 C ATOM 457 O GLY A 54 -6.114 -8.589 12.207 1.00 0.00 O ATOM 0 H GLY A 54 -3.789 -9.270 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.127 -6.766 12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.160 -6.561 10.541 1.00 0.00 H new ATOM 461 N ASP A 55 -6.441 -7.543 10.229 1.00 0.00 N ATOM 462 CA ASP A 55 -7.737 -8.075 9.831 1.00 0.00 C ATOM 463 C ASP A 55 -7.727 -8.176 8.302 1.00 0.00 C ATOM 464 O ASP A 55 -7.657 -7.142 7.631 1.00 0.00 O ATOM 465 CB ASP A 55 -8.829 -7.112 10.300 1.00 0.00 C ATOM 466 CG ASP A 55 -10.236 -7.689 10.120 1.00 0.00 C ATOM 467 OD1 ASP A 55 -11.023 -7.665 11.095 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.600 -8.121 9.001 1.00 0.00 O ATOM 0 H ASP A 55 -6.106 -6.849 9.561 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.929 -9.053 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.670 -6.872 11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.749 -6.178 9.744 1.00 0.00 H new ATOM 474 N SER A 56 -7.687 -9.376 7.720 1.00 0.00 N ATOM 475 CA SER A 56 -7.758 -9.609 6.273 1.00 0.00 C ATOM 476 C SER A 56 -8.000 -11.104 6.033 1.00 0.00 C ATOM 477 O SER A 56 -8.022 -11.880 6.989 1.00 0.00 O ATOM 478 CB SER A 56 -6.464 -9.132 5.583 1.00 0.00 C ATOM 479 OG SER A 56 -6.610 -9.033 4.174 1.00 0.00 O ATOM 0 H SER A 56 -7.602 -10.239 8.257 1.00 0.00 H new ATOM 0 HA SER A 56 -8.580 -9.038 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.177 -8.161 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.655 -9.825 5.815 1.00 0.00 H new ATOM 0 HG SER A 56 -5.767 -8.726 3.779 1.00 0.00 H new ATOM 485 N GLU A 57 -8.113 -11.527 4.766 1.00 0.00 N ATOM 486 CA GLU A 57 -8.197 -12.927 4.373 1.00 0.00 C ATOM 487 C GLU A 57 -7.055 -13.714 5.003 1.00 0.00 C ATOM 488 O GLU A 57 -7.284 -14.484 5.928 1.00 0.00 O ATOM 489 CB GLU A 57 -8.185 -13.063 2.840 1.00 0.00 C ATOM 490 CG GLU A 57 -8.340 -14.525 2.381 1.00 0.00 C ATOM 491 CD GLU A 57 -9.602 -15.171 2.951 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.527 -16.314 3.462 1.00 0.00 O ATOM 493 OE2 GLU A 57 -10.656 -14.487 2.979 1.00 0.00 O ATOM 0 H GLU A 57 -8.149 -10.885 3.974 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.139 -13.339 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.993 -12.465 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.251 -12.659 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.373 -14.562 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.467 -15.098 2.693 1.00 0.00 H new ATOM 501 N GLN A 58 -5.817 -13.498 4.555 1.00 0.00 N ATOM 502 CA GLN A 58 -4.628 -14.125 5.129 1.00 0.00 C ATOM 503 C GLN A 58 -4.282 -13.495 6.477 1.00 0.00 C ATOM 504 O GLN A 58 -3.116 -13.473 6.845 1.00 0.00 O ATOM 505 CB GLN A 58 -3.447 -14.004 4.146 1.00 0.00 C ATOM 506 CG GLN A 58 -3.693 -14.738 2.829 1.00 0.00 C ATOM 507 CD GLN A 58 -2.492 -14.650 1.886 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.896 -15.651 1.492 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.111 -13.461 1.443 1.00 0.00 N ATOM 0 H GLN A 58 -5.611 -12.875 3.774 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.834 -15.182 5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.259 -12.950 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.548 -14.402 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.916 -15.785 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.570 -14.316 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.594 -12.620 1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.335 -13.386 0.786 1.00 0.00 H new ATOM 518 N GLY A 59 -5.221 -12.861 7.173 1.00 0.00 N ATOM 519 CA GLY A 59 -4.992 -12.213 8.449 1.00 0.00 C ATOM 520 C GLY A 59 -4.046 -11.021 8.364 1.00 0.00 C ATOM 521 O GLY A 59 -3.951 -10.307 9.353 1.00 0.00 O ATOM 0 H GLY A 59 -6.186 -12.785 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.947 -11.880 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.584 -12.942 9.150 1.00 0.00 H new ATOM 525 N ILE A 60 -3.392 -10.731 7.231 1.00 0.00 N ATOM 526 CA ILE A 60 -2.296 -9.765 7.141 1.00 0.00 C ATOM 527 C ILE A 60 -2.612 -8.528 6.299 1.00 0.00 C ATOM 528 O ILE A 60 -3.364 -8.595 5.322 1.00 0.00 O ATOM 529 CB ILE A 60 -1.025 -10.413 6.577 1.00 0.00 C ATOM 530 CG1 ILE A 60 -1.316 -11.215 5.296 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.273 -11.286 7.578 1.00 0.00 C ATOM 532 CD1 ILE A 60 -0.130 -11.264 4.362 1.00 0.00 C ATOM 0 H ILE A 60 -3.616 -11.170 6.338 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.144 -9.437 8.169 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.370 -9.575 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.605 -12.231 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.165 -10.769 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.612 -11.707 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.028 -10.682 8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.922 -12.094 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.389 -11.842 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.144 -10.251 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.713 -11.735 4.868 1.00 0.00 H new ATOM 544 N VAL A 61 -1.937 -7.429 6.642 1.00 0.00 N ATOM 545 CA VAL A 61 -2.046 -6.126 6.015 1.00 0.00 C ATOM 546 C VAL A 61 -0.661 -5.512 5.823 1.00 0.00 C ATOM 547 O VAL A 61 0.197 -5.646 6.703 1.00 0.00 O ATOM 548 CB VAL A 61 -2.927 -5.185 6.878 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.422 -5.462 6.666 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.572 -5.214 8.384 1.00 0.00 C ATOM 0 H VAL A 61 -1.264 -7.433 7.409 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.515 -6.251 5.039 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.706 -4.176 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.009 -4.785 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.676 -5.306 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.644 -6.492 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.228 -4.532 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.702 -6.225 8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.536 -4.905 8.520 1.00 0.00 H new ATOM 560 N PRO A 62 -0.411 -4.834 4.687 1.00 0.00 N ATOM 561 CA PRO A 62 0.825 -4.115 4.469 1.00 0.00 C ATOM 562 C PRO A 62 0.849 -2.776 5.204 1.00 0.00 C ATOM 563 O PRO A 62 -0.159 -2.308 5.743 1.00 0.00 O ATOM 564 CB PRO A 62 0.975 -3.990 2.953 1.00 0.00 C ATOM 565 CG PRO A 62 -0.451 -4.072 2.412 1.00 0.00 C ATOM 566 CD PRO A 62 -1.299 -4.654 3.547 1.00 0.00 C ATOM 0 HA PRO A 62 1.680 -4.648 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.449 -3.047 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.598 -4.789 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.814 -3.087 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.497 -4.706 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.120 -3.983 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.743 -5.604 3.249 1.00 0.00 H new ATOM 574 N CYS A 63 2.018 -2.143 5.166 1.00 0.00 N ATOM 575 CA CYS A 63 2.363 -0.887 5.803 1.00 0.00 C ATOM 576 C CYS A 63 2.784 0.062 4.693 1.00 0.00 C ATOM 577 O CYS A 63 3.795 -0.148 4.019 1.00 0.00 O ATOM 578 CB CYS A 63 3.500 -1.113 6.806 1.00 0.00 C ATOM 579 SG CYS A 63 4.195 0.375 7.560 1.00 0.00 S ATOM 0 H CYS A 63 2.806 -2.530 4.647 1.00 0.00 H new ATOM 0 HA CYS A 63 1.523 -0.468 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.133 -1.762 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.303 -1.650 6.301 1.00 0.00 H new ATOM 0 HG CYS A 63 5.142 0.041 8.386 1.00 0.00 H new ATOM 585 N LEU A 64 1.934 1.053 4.446 1.00 0.00 N ATOM 586 CA LEU A 64 2.023 2.018 3.366 1.00 0.00 C ATOM 587 C LEU A 64 1.808 3.375 4.021 1.00 0.00 C ATOM 588 O LEU A 64 1.064 3.452 5.007 1.00 0.00 O ATOM 589 CB LEU A 64 0.930 1.815 2.297 1.00 0.00 C ATOM 590 CG LEU A 64 0.455 0.398 1.920 1.00 0.00 C ATOM 591 CD1 LEU A 64 1.565 -0.548 1.457 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.488 -0.209 2.965 1.00 0.00 C ATOM 0 H LEU A 64 1.115 1.210 5.034 1.00 0.00 H new ATOM 0 HA LEU A 64 2.983 1.918 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.052 2.371 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.284 2.289 1.382 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.147 0.535 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.136 -1.520 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.051 -0.134 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.300 -0.665 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.790 -1.207 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.025 -0.274 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.371 0.422 3.068 1.00 0.00 H new ATOM 604 N THR A 65 2.384 4.432 3.455 1.00 0.00 N ATOM 605 CA THR A 65 2.193 5.776 3.975 1.00 0.00 C ATOM 606 C THR A 65 1.334 6.577 3.016 1.00 0.00 C ATOM 607 O THR A 65 1.020 6.119 1.921 1.00 0.00 O ATOM 608 CB THR A 65 3.533 6.456 4.290 1.00 0.00 C ATOM 609 OG1 THR A 65 4.087 6.951 3.086 1.00 0.00 O ATOM 610 CG2 THR A 65 4.531 5.495 4.932 1.00 0.00 C ATOM 0 H THR A 65 2.988 4.380 2.634 1.00 0.00 H new ATOM 0 HA THR A 65 1.663 5.720 4.926 1.00 0.00 H new ATOM 0 HB THR A 65 3.341 7.261 4.999 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.943 7.389 3.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.463 6.022 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.118 5.112 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.725 4.664 4.253 1.00 0.00 H new ATOM 618 N ARG A 66 0.974 7.802 3.392 1.00 0.00 N ATOM 619 CA ARG A 66 0.175 8.659 2.522 1.00 0.00 C ATOM 620 C ARG A 66 0.935 8.908 1.218 1.00 0.00 C ATOM 621 O ARG A 66 0.351 8.841 0.141 1.00 0.00 O ATOM 622 CB ARG A 66 -0.136 10.007 3.200 1.00 0.00 C ATOM 623 CG ARG A 66 -0.347 9.898 4.706 1.00 0.00 C ATOM 624 CD ARG A 66 -0.872 11.184 5.334 1.00 0.00 C ATOM 625 NE ARG A 66 0.052 12.320 5.277 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.241 13.531 5.764 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.449 13.775 6.261 1.00 0.00 N ATOM 628 NH2 ARG A 66 0.658 14.503 5.764 1.00 0.00 N ATOM 0 H ARG A 66 1.222 8.221 4.288 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.769 8.154 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.683 10.700 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.030 10.435 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.048 9.089 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.597 9.629 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.799 11.463 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.119 10.987 6.377 1.00 0.00 H new ATOM 0 HE ARG A 66 0.965 12.180 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.154 13.038 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.671 14.699 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.591 14.334 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.417 15.420 6.139 1.00 0.00 H new ATOM 642 N ALA A 67 2.239 9.182 1.333 1.00 0.00 N ATOM 643 CA ALA A 67 3.111 9.433 0.202 1.00 0.00 C ATOM 644 C ALA A 67 3.145 8.210 -0.697 1.00 0.00 C ATOM 645 O ALA A 67 2.936 8.321 -1.905 1.00 0.00 O ATOM 646 CB ALA A 67 4.529 9.711 0.688 1.00 0.00 C ATOM 0 H ALA A 67 2.717 9.234 2.233 1.00 0.00 H new ATOM 0 HA ALA A 67 2.731 10.295 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.177 9.898 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.526 10.585 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.900 8.848 1.241 1.00 0.00 H new ATOM 652 N GLN A 68 3.431 7.045 -0.115 1.00 0.00 N ATOM 653 CA GLN A 68 3.579 5.847 -0.912 1.00 0.00 C ATOM 654 C GLN A 68 2.246 5.485 -1.561 1.00 0.00 C ATOM 655 O GLN A 68 2.216 5.148 -2.737 1.00 0.00 O ATOM 656 CB GLN A 68 4.146 4.706 -0.061 1.00 0.00 C ATOM 657 CG GLN A 68 5.035 3.812 -0.929 1.00 0.00 C ATOM 658 CD GLN A 68 6.274 4.504 -1.500 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.530 4.394 -2.696 1.00 0.00 O ATOM 660 NE2 GLN A 68 7.055 5.223 -0.707 1.00 0.00 N ATOM 0 H GLN A 68 3.561 6.915 0.888 1.00 0.00 H new ATOM 0 HA GLN A 68 4.293 6.028 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.722 5.111 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.333 4.121 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.355 2.955 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.440 3.423 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.834 5.309 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.877 5.691 -1.089 1.00 0.00 H new ATOM 669 N LEU A 69 1.126 5.626 -0.852 1.00 0.00 N ATOM 670 CA LEU A 69 -0.189 5.359 -1.418 1.00 0.00 C ATOM 671 C LEU A 69 -0.502 6.273 -2.604 1.00 0.00 C ATOM 672 O LEU A 69 -1.100 5.823 -3.584 1.00 0.00 O ATOM 673 CB LEU A 69 -1.286 5.458 -0.352 1.00 0.00 C ATOM 674 CG LEU A 69 -1.236 4.310 0.677 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.253 4.540 1.793 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.545 2.955 0.035 1.00 0.00 C ATOM 0 H LEU A 69 1.108 5.926 0.123 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.168 4.335 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.192 6.410 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.260 5.457 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.222 4.299 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.201 3.719 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.030 5.478 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.255 4.588 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.499 2.174 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.543 2.979 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.813 2.746 -0.745 1.00 0.00 H new ATOM 688 N ALA A 70 -0.077 7.538 -2.562 1.00 0.00 N ATOM 689 CA ALA A 70 -0.223 8.448 -3.692 1.00 0.00 C ATOM 690 C ALA A 70 0.637 8.030 -4.896 1.00 0.00 C ATOM 691 O ALA A 70 0.335 8.453 -6.011 1.00 0.00 O ATOM 692 CB ALA A 70 0.092 9.877 -3.259 1.00 0.00 C ATOM 0 H ALA A 70 0.375 7.955 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.261 8.399 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.020 10.548 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.595 10.177 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.116 9.928 -2.889 1.00 0.00 H new ATOM 698 N SER A 71 1.637 7.158 -4.723 1.00 0.00 N ATOM 699 CA SER A 71 2.372 6.542 -5.827 1.00 0.00 C ATOM 700 C SER A 71 1.417 5.642 -6.609 1.00 0.00 C ATOM 701 O SER A 71 1.297 5.790 -7.829 1.00 0.00 O ATOM 702 CB SER A 71 3.597 5.774 -5.304 1.00 0.00 C ATOM 703 OG SER A 71 4.476 5.382 -6.335 1.00 0.00 O ATOM 0 H SER A 71 1.960 6.859 -3.803 1.00 0.00 H new ATOM 0 HA SER A 71 2.753 7.311 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.135 6.399 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.262 4.890 -4.762 1.00 0.00 H new ATOM 0 HG SER A 71 5.237 4.900 -5.950 1.00 0.00 H new ATOM 709 N MET A 72 0.673 4.768 -5.916 1.00 0.00 N ATOM 710 CA MET A 72 -0.372 3.985 -6.564 1.00 0.00 C ATOM 711 C MET A 72 -1.536 4.859 -7.028 1.00 0.00 C ATOM 712 O MET A 72 -2.329 4.437 -7.865 1.00 0.00 O ATOM 713 CB MET A 72 -0.903 2.860 -5.682 1.00 0.00 C ATOM 714 CG MET A 72 0.178 1.972 -5.072 1.00 0.00 C ATOM 715 SD MET A 72 0.643 2.396 -3.384 1.00 0.00 S ATOM 716 CE MET A 72 2.411 2.077 -3.499 1.00 0.00 C ATOM 0 H MET A 72 0.779 4.591 -4.917 1.00 0.00 H new ATOM 0 HA MET A 72 0.104 3.535 -7.435 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.495 3.295 -4.877 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.576 2.238 -6.273 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.168 0.939 -5.090 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.066 2.021 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.821 1.936 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.581 1.178 -4.091 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.903 2.924 -3.976 1.00 0.00 H new ATOM 726 N GLY A 73 -1.641 6.078 -6.502 1.00 0.00 N ATOM 727 CA GLY A 73 -2.541 7.089 -7.009 1.00 0.00 C ATOM 728 C GLY A 73 -3.683 7.370 -6.056 1.00 0.00 C ATOM 729 O GLY A 73 -4.663 7.971 -6.487 1.00 0.00 O ATOM 0 H GLY A 73 -1.091 6.387 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.986 8.010 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.943 6.766 -7.969 1.00 0.00 H new ATOM 733 N LEU A 74 -3.589 6.948 -4.794 1.00 0.00 N ATOM 734 CA LEU A 74 -4.582 7.268 -3.785 1.00 0.00 C ATOM 735 C LEU A 74 -4.621 8.778 -3.532 1.00 0.00 C ATOM 736 O LEU A 74 -3.606 9.400 -3.227 1.00 0.00 O ATOM 737 CB LEU A 74 -4.230 6.575 -2.470 1.00 0.00 C ATOM 738 CG LEU A 74 -5.228 6.945 -1.348 1.00 0.00 C ATOM 739 CD1 LEU A 74 -6.377 5.969 -1.206 1.00 0.00 C ATOM 740 CD2 LEU A 74 -4.481 7.182 -0.060 1.00 0.00 C ATOM 0 H LEU A 74 -2.819 6.375 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.553 6.928 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.229 5.495 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.221 6.856 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.718 7.876 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.034 6.295 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.939 5.931 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.986 4.978 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.188 7.442 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.943 6.277 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.772 7.999 -0.196 1.00 0.00 H new ATOM 752 N ASN A 75 -5.838 9.310 -3.463 1.00 0.00 N ATOM 753 CA ASN A 75 -6.130 10.601 -2.880 1.00 0.00 C ATOM 754 C ASN A 75 -6.181 10.527 -1.351 1.00 0.00 C ATOM 755 O ASN A 75 -7.228 10.245 -0.762 1.00 0.00 O ATOM 756 CB ASN A 75 -7.464 11.134 -3.421 1.00 0.00 C ATOM 757 CG ASN A 75 -7.634 12.622 -3.179 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.995 13.223 -2.322 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.488 13.227 -3.978 1.00 0.00 N ATOM 0 H ASN A 75 -6.666 8.836 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.326 11.282 -3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.525 10.933 -4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.286 10.596 -2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.638 14.233 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.000 12.690 -4.678 1.00 0.00 H new ATOM 766 N THR A 76 -5.057 10.805 -0.688 1.00 0.00 N ATOM 767 CA THR A 76 -4.969 10.900 0.773 1.00 0.00 C ATOM 768 C THR A 76 -5.994 11.917 1.306 1.00 0.00 C ATOM 769 O THR A 76 -6.499 11.753 2.413 1.00 0.00 O ATOM 770 CB THR A 76 -3.513 11.242 1.204 1.00 0.00 C ATOM 771 OG1 THR A 76 -3.210 12.610 0.998 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.447 10.452 0.430 1.00 0.00 C ATOM 0 H THR A 76 -4.167 10.973 -1.157 1.00 0.00 H new ATOM 0 HA THR A 76 -5.217 9.935 1.214 1.00 0.00 H new ATOM 0 HB THR A 76 -3.482 10.977 2.261 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.440 13.121 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.456 10.739 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.595 9.385 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.533 10.671 -0.634 1.00 0.00 H new ATOM 780 N ALA A 77 -6.326 12.948 0.519 1.00 0.00 N ATOM 781 CA ALA A 77 -7.242 14.024 0.859 1.00 0.00 C ATOM 782 C ALA A 77 -8.671 13.757 0.370 1.00 0.00 C ATOM 783 O ALA A 77 -9.510 14.662 0.391 1.00 0.00 O ATOM 784 CB ALA A 77 -6.649 15.350 0.377 1.00 0.00 C ATOM 0 H ALA A 77 -5.938 13.052 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.349 14.084 1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.329 16.165 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.688 15.517 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.508 15.314 -0.703 1.00 0.00 H new ATOM 790 N SER A 78 -8.985 12.524 -0.026 1.00 0.00 N ATOM 791 CA SER A 78 -10.350 12.034 -0.161 1.00 0.00 C ATOM 792 C SER A 78 -10.705 11.209 1.071 1.00 0.00 C ATOM 793 O SER A 78 -11.788 11.392 1.630 1.00 0.00 O ATOM 794 CB SER A 78 -10.457 11.256 -1.480 1.00 0.00 C ATOM 795 OG SER A 78 -11.773 10.880 -1.814 1.00 0.00 O ATOM 0 H SER A 78 -8.281 11.826 -0.266 1.00 0.00 H new ATOM 0 HA SER A 78 -11.075 12.847 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.048 11.867 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.839 10.361 -1.414 1.00 0.00 H new ATOM 0 HG SER A 78 -11.792 10.538 -2.732 1.00 0.00 H new ATOM 801 N VAL A 79 -9.792 10.359 1.561 1.00 0.00 N ATOM 802 CA VAL A 79 -10.112 9.474 2.654 1.00 0.00 C ATOM 803 C VAL A 79 -10.026 10.361 3.889 1.00 0.00 C ATOM 804 O VAL A 79 -9.062 11.112 4.091 1.00 0.00 O ATOM 805 CB VAL A 79 -9.203 8.227 2.708 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.894 7.617 1.335 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.852 8.407 3.374 1.00 0.00 C ATOM 0 H VAL A 79 -8.837 10.277 1.211 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.102 9.030 2.553 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.827 7.572 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.251 6.746 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.824 7.315 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.387 8.356 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.306 7.464 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.283 9.169 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.995 8.718 4.409 1.00 0.00 H new ATOM 817 N ALA A 80 -11.063 10.310 4.702 1.00 0.00 N ATOM 818 CA ALA A 80 -10.994 10.839 6.047 1.00 0.00 C ATOM 819 C ALA A 80 -9.826 10.186 6.802 1.00 0.00 C ATOM 820 O ALA A 80 -9.403 9.072 6.485 1.00 0.00 O ATOM 821 CB ALA A 80 -12.326 10.545 6.708 1.00 0.00 C ATOM 0 H ALA A 80 -11.966 9.906 4.452 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.813 11.914 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.318 10.928 7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.126 11.027 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.493 9.468 6.726 1.00 0.00 H new ATOM 827 N GLY A 81 -9.296 10.859 7.825 1.00 0.00 N ATOM 828 CA GLY A 81 -8.286 10.275 8.699 1.00 0.00 C ATOM 829 C GLY A 81 -6.865 10.368 8.157 1.00 0.00 C ATOM 830 O GLY A 81 -5.985 10.822 8.885 1.00 0.00 O ATOM 0 H GLY A 81 -9.554 11.816 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.327 10.773 9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.531 9.227 8.869 1.00 0.00 H new ATOM 834 N MET A 82 -6.595 9.973 6.904 1.00 0.00 N ATOM 835 CA MET A 82 -5.232 9.998 6.389 1.00 0.00 C ATOM 836 C MET A 82 -4.630 11.401 6.428 1.00 0.00 C ATOM 837 O MET A 82 -3.433 11.575 6.643 1.00 0.00 O ATOM 838 CB MET A 82 -5.182 9.382 4.999 1.00 0.00 C ATOM 839 CG MET A 82 -3.778 8.873 4.731 1.00 0.00 C ATOM 840 SD MET A 82 -3.546 8.089 3.125 1.00 0.00 S ATOM 841 CE MET A 82 -4.660 6.670 3.326 1.00 0.00 C ATOM 0 H MET A 82 -7.296 9.638 6.243 1.00 0.00 H new ATOM 0 HA MET A 82 -4.609 9.389 7.044 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.899 8.564 4.924 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.463 10.122 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.083 9.708 4.815 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.512 8.158 5.509 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.148 5.759 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.955 6.584 4.372 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.547 6.814 2.710 1.00 0.00 H new ATOM 851 N ASN A 83 -5.461 12.429 6.319 1.00 0.00 N ATOM 852 CA ASN A 83 -5.016 13.816 6.396 1.00 0.00 C ATOM 853 C ASN A 83 -4.478 14.194 7.777 1.00 0.00 C ATOM 854 O ASN A 83 -3.974 15.307 7.925 1.00 0.00 O ATOM 855 CB ASN A 83 -6.159 14.749 5.980 1.00 0.00 C ATOM 856 CG ASN A 83 -6.513 14.385 4.557 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.744 14.670 3.644 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.567 13.604 4.384 1.00 0.00 N ATOM 0 H ASN A 83 -6.465 12.325 6.174 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.181 13.930 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.019 14.626 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.852 15.793 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.766 13.213 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.180 13.393 5.171 1.00 0.00 H new ATOM 865 N LEU A 84 -4.586 13.317 8.783 1.00 0.00 N ATOM 866 CA LEU A 84 -4.301 13.603 10.187 1.00 0.00 C ATOM 867 C LEU A 84 -3.176 12.686 10.665 1.00 0.00 C ATOM 868 O LEU A 84 -2.644 12.877 11.756 1.00 0.00 O ATOM 869 CB LEU A 84 -5.556 13.392 11.062 1.00 0.00 C ATOM 870 CG LEU A 84 -6.930 13.666 10.416 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.025 13.370 11.438 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.114 15.086 9.878 1.00 0.00 C ATOM 0 H LEU A 84 -4.886 12.354 8.631 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.997 14.646 10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.550 12.361 11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.464 14.030 11.941 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.993 13.010 9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.001 13.561 10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.964 12.326 11.745 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.893 14.012 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.109 15.184 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.002 15.801 10.693 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.363 15.286 9.114 1.00 0.00 H new ATOM 884 N LEU A 85 -2.835 11.686 9.849 1.00 0.00 N ATOM 885 CA LEU A 85 -1.636 10.887 9.935 1.00 0.00 C ATOM 886 C LEU A 85 -0.459 11.693 9.412 1.00 0.00 C ATOM 887 O LEU A 85 -0.625 12.753 8.812 1.00 0.00 O ATOM 888 CB LEU A 85 -1.841 9.640 9.070 1.00 0.00 C ATOM 889 CG LEU A 85 -2.624 8.575 9.849 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.678 7.935 8.972 1.00 0.00 C ATOM 891 CD2 LEU A 85 -1.665 7.494 10.296 1.00 0.00 C ATOM 0 H LEU A 85 -3.430 11.406 9.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.434 10.600 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.380 9.905 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.875 9.239 8.763 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.106 9.053 10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.221 7.183 9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.374 8.698 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.200 7.462 8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.210 6.731 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.195 7.041 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.898 7.930 10.936 1.00 0.00 H new ATOM 903 N ALA A 86 0.734 11.153 9.623 1.00 0.00 N ATOM 904 CA ALA A 86 1.972 11.755 9.194 1.00 0.00 C ATOM 905 C ALA A 86 2.267 11.436 7.734 1.00 0.00 C ATOM 906 O ALA A 86 1.682 10.520 7.162 1.00 0.00 O ATOM 907 CB ALA A 86 3.082 11.253 10.108 1.00 0.00 C ATOM 0 H ALA A 86 0.862 10.265 10.108 1.00 0.00 H new ATOM 0 HA ALA A 86 1.899 12.840 9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.031 11.694 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.862 11.537 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.148 10.167 10.038 1.00 0.00 H new ATOM 913 N ASP A 87 3.227 12.153 7.152 1.00 0.00 N ATOM 914 CA ASP A 87 3.731 11.906 5.802 1.00 0.00 C ATOM 915 C ASP A 87 4.261 10.489 5.703 1.00 0.00 C ATOM 916 O ASP A 87 3.978 9.804 4.722 1.00 0.00 O ATOM 917 CB ASP A 87 4.883 12.850 5.437 1.00 0.00 C ATOM 918 CG ASP A 87 4.451 14.285 5.170 1.00 0.00 C ATOM 919 OD1 ASP A 87 5.310 15.191 5.233 1.00 0.00 O ATOM 920 OD2 ASP A 87 3.255 14.522 4.883 1.00 0.00 O ATOM 0 H ASP A 87 3.685 12.938 7.615 1.00 0.00 H new ATOM 0 HA ASP A 87 2.898 12.071 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.612 12.846 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.388 12.464 4.552 1.00 0.00 H new ATOM 926 N ASP A 88 5.022 10.078 6.720 1.00 0.00 N ATOM 927 CA ASP A 88 5.518 8.728 6.927 1.00 0.00 C ATOM 928 C ASP A 88 4.875 8.256 8.208 1.00 0.00 C ATOM 929 O ASP A 88 5.389 8.440 9.319 1.00 0.00 O ATOM 930 CB ASP A 88 7.042 8.657 6.988 1.00 0.00 C ATOM 931 CG ASP A 88 7.585 7.441 6.253 1.00 0.00 C ATOM 932 OD1 ASP A 88 7.520 6.323 6.806 1.00 0.00 O ATOM 933 OD2 ASP A 88 8.059 7.621 5.110 1.00 0.00 O ATOM 0 H ASP A 88 5.321 10.717 7.457 1.00 0.00 H new ATOM 0 HA ASP A 88 5.258 8.086 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.465 9.562 6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.362 8.624 8.029 1.00 0.00 H new ATOM 939 N ALA A 89 3.659 7.771 8.048 1.00 0.00 N ATOM 940 CA ALA A 89 3.066 6.890 9.018 1.00 0.00 C ATOM 941 C ALA A 89 2.407 5.711 8.313 1.00 0.00 C ATOM 942 O ALA A 89 1.947 5.883 7.186 1.00 0.00 O ATOM 943 CB ALA A 89 2.032 7.698 9.786 1.00 0.00 C ATOM 0 H ALA A 89 3.063 7.978 7.246 1.00 0.00 H new ATOM 0 HA ALA A 89 3.819 6.492 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.557 7.064 10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.520 8.538 10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.276 8.072 9.095 1.00 0.00 H new ATOM 949 N CYS A 90 2.274 4.571 8.997 1.00 0.00 N ATOM 950 CA CYS A 90 1.502 3.429 8.529 1.00 0.00 C ATOM 951 C CYS A 90 0.014 3.780 8.560 1.00 0.00 C ATOM 952 O CYS A 90 -0.528 4.088 9.628 1.00 0.00 O ATOM 953 CB CYS A 90 1.772 2.219 9.429 1.00 0.00 C ATOM 954 SG CYS A 90 0.862 0.734 8.913 1.00 0.00 S ATOM 0 H CYS A 90 2.710 4.419 9.907 1.00 0.00 H new ATOM 0 HA CYS A 90 1.795 3.183 7.508 1.00 0.00 H new ATOM 0 HB2 CYS A 90 2.840 2.003 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.499 2.468 10.455 1.00 0.00 H new ATOM 0 HG CYS A 90 1.141 -0.248 9.718 1.00 0.00 H new ATOM 960 N VAL A 91 -0.670 3.702 7.418 1.00 0.00 N ATOM 961 CA VAL A 91 -2.087 3.987 7.280 1.00 0.00 C ATOM 962 C VAL A 91 -2.758 2.674 6.801 1.00 0.00 C ATOM 963 O VAL A 91 -2.174 1.958 5.978 1.00 0.00 O ATOM 964 CB VAL A 91 -2.225 5.227 6.352 1.00 0.00 C ATOM 965 CG1 VAL A 91 -1.070 6.245 6.439 1.00 0.00 C ATOM 966 CG2 VAL A 91 -2.420 4.911 4.906 1.00 0.00 C ATOM 0 H VAL A 91 -0.232 3.429 6.538 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.602 4.266 8.199 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.133 5.675 6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.261 7.071 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.998 6.627 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.134 5.757 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.506 5.838 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.567 4.340 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.330 4.324 4.781 1.00 0.00 H new ATOM 976 N PRO A 92 -3.955 2.299 7.294 1.00 0.00 N ATOM 977 CA PRO A 92 -4.641 1.109 6.800 1.00 0.00 C ATOM 978 C PRO A 92 -5.206 1.372 5.414 1.00 0.00 C ATOM 979 O PRO A 92 -5.494 2.522 5.066 1.00 0.00 O ATOM 980 CB PRO A 92 -5.774 0.826 7.755 1.00 0.00 C ATOM 981 CG PRO A 92 -6.108 2.208 8.290 1.00 0.00 C ATOM 982 CD PRO A 92 -4.775 2.968 8.290 1.00 0.00 C ATOM 0 HA PRO A 92 -3.953 0.266 6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.626 0.370 7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.473 0.145 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.846 2.706 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.530 2.151 9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.921 4.019 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.304 2.937 9.273 1.00 0.00 H new ATOM 990 N LEU A 93 -5.460 0.294 4.671 1.00 0.00 N ATOM 991 CA LEU A 93 -5.871 0.384 3.284 1.00 0.00 C ATOM 992 C LEU A 93 -7.222 -0.235 2.956 1.00 0.00 C ATOM 993 O LEU A 93 -7.741 0.059 1.890 1.00 0.00 O ATOM 994 CB LEU A 93 -4.763 -0.142 2.367 1.00 0.00 C ATOM 995 CG LEU A 93 -4.842 0.395 0.921 1.00 0.00 C ATOM 996 CD1 LEU A 93 -4.999 1.923 0.817 1.00 0.00 C ATOM 997 CD2 LEU A 93 -3.551 -0.017 0.214 1.00 0.00 C ATOM 0 H LEU A 93 -5.384 -0.661 5.020 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.027 1.447 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.795 0.126 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.810 -1.231 2.343 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.736 -0.028 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.046 2.213 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.916 2.230 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.146 2.409 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.568 0.345 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.697 0.414 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.467 -1.104 0.215 1.00 0.00 H new ATOM 1009 N THR A 94 -7.838 -1.000 3.857 1.00 0.00 N ATOM 1010 CA THR A 94 -9.242 -1.388 3.702 1.00 0.00 C ATOM 1011 C THR A 94 -10.136 -0.761 4.774 1.00 0.00 C ATOM 1012 O THR A 94 -11.359 -0.917 4.729 1.00 0.00 O ATOM 1013 CB THR A 94 -9.358 -2.917 3.606 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.697 -3.270 3.357 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.905 -3.655 4.868 1.00 0.00 C ATOM 0 H THR A 94 -7.390 -1.363 4.699 1.00 0.00 H new ATOM 0 HA THR A 94 -9.619 -0.983 2.763 1.00 0.00 H new ATOM 0 HB THR A 94 -8.695 -3.217 2.794 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.290 -2.576 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.017 -4.729 4.721 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.859 -3.424 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.516 -3.338 5.714 1.00 0.00 H new ATOM 1023 N THR A 95 -9.534 -0.063 5.733 1.00 0.00 N ATOM 1024 CA THR A 95 -10.176 0.288 6.990 1.00 0.00 C ATOM 1025 C THR A 95 -10.478 1.785 7.011 1.00 0.00 C ATOM 1026 O THR A 95 -11.567 2.203 7.404 1.00 0.00 O ATOM 1027 CB THR A 95 -9.231 -0.152 8.120 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.634 -1.392 7.795 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.884 -0.274 9.484 1.00 0.00 C ATOM 0 H THR A 95 -8.576 0.277 5.655 1.00 0.00 H new ATOM 0 HA THR A 95 -11.133 -0.217 7.119 1.00 0.00 H new ATOM 0 HB THR A 95 -8.491 0.645 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.032 -1.665 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.141 -0.589 10.216 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.296 0.691 9.778 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.685 -1.012 9.439 1.00 0.00 H new ATOM 1037 N MET A 96 -9.509 2.600 6.593 1.00 0.00 N ATOM 1038 CA MET A 96 -9.611 4.050 6.551 1.00 0.00 C ATOM 1039 C MET A 96 -10.412 4.473 5.325 1.00 0.00 C ATOM 1040 O MET A 96 -11.393 5.210 5.433 1.00 0.00 O ATOM 1041 CB MET A 96 -8.184 4.603 6.566 1.00 0.00 C ATOM 1042 CG MET A 96 -8.020 6.074 6.226 1.00 0.00 C ATOM 1043 SD MET A 96 -6.450 6.725 6.847 1.00 0.00 S ATOM 1044 CE MET A 96 -6.861 6.808 8.610 1.00 0.00 C ATOM 0 H MET A 96 -8.607 2.254 6.266 1.00 0.00 H new ATOM 0 HA MET A 96 -10.147 4.452 7.411 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.764 4.434 7.557 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.586 4.022 5.863 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.068 6.207 5.145 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.846 6.642 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.479 7.739 9.029 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.943 6.772 8.733 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.408 5.963 9.129 1.00 0.00 H new ATOM 1054 N VAL A 97 -9.996 3.990 4.159 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.761 4.055 2.915 1.00 0.00 C ATOM 1056 C VAL A 97 -11.803 2.924 2.935 1.00 0.00 C ATOM 1057 O VAL A 97 -11.861 2.129 3.875 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.784 4.071 1.708 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.540 3.224 1.907 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.396 3.773 0.338 1.00 0.00 C ATOM 0 H VAL A 97 -9.093 3.529 4.048 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.331 4.978 2.811 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.495 5.122 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.910 3.289 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.986 3.588 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.829 2.186 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.618 3.813 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.844 2.779 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.163 4.514 0.113 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.685 2.907 1.944 1.00 0.00 N ATOM 1071 CA GLN A 98 -13.744 1.948 1.703 1.00 0.00 C ATOM 1072 C GLN A 98 -13.456 1.325 0.341 1.00 0.00 C ATOM 1073 O GLN A 98 -12.959 2.026 -0.541 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.071 2.728 1.761 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.244 2.154 0.959 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.489 2.851 -0.385 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.553 3.411 -0.620 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.543 2.905 -1.309 1.00 0.00 N ATOM 0 H GLN A 98 -12.672 3.632 1.226 1.00 0.00 H new ATOM 0 HA GLN A 98 -13.806 1.142 2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.377 2.802 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.884 3.743 1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.062 1.095 0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.150 2.223 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.645 2.450 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.712 3.402 -2.184 1.00 0.00 H new ATOM 1087 N ASP A 99 -13.805 0.054 0.139 1.00 0.00 N ATOM 1088 CA ASP A 99 -13.637 -0.748 -1.090 1.00 0.00 C ATOM 1089 C ASP A 99 -12.178 -1.000 -1.488 1.00 0.00 C ATOM 1090 O ASP A 99 -11.892 -1.966 -2.193 1.00 0.00 O ATOM 1091 CB ASP A 99 -14.391 -0.133 -2.278 1.00 0.00 C ATOM 1092 CG ASP A 99 -14.656 -1.097 -3.447 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.018 -0.584 -4.537 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -14.642 -2.338 -3.280 1.00 0.00 O ATOM 0 H ASP A 99 -14.246 -0.489 0.881 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.069 -1.717 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.346 0.254 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.821 0.718 -2.650 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.234 -0.173 -1.039 1.00 0.00 N ATOM 1101 CA ALA A 100 -9.831 -0.434 -1.275 1.00 0.00 C ATOM 1102 C ALA A 100 -9.386 -1.673 -0.503 1.00 0.00 C ATOM 1103 O ALA A 100 -9.951 -1.999 0.542 1.00 0.00 O ATOM 1104 CB ALA A 100 -8.990 0.789 -0.905 1.00 0.00 C ATOM 0 H ALA A 100 -11.424 0.679 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.681 -0.630 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.937 0.576 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.299 1.640 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.134 1.024 0.150 1.00 0.00 H new ATOM 1110 N THR A 101 -8.367 -2.351 -1.027 1.00 0.00 N ATOM 1111 CA THR A 101 -7.881 -3.617 -0.485 1.00 0.00 C ATOM 1112 C THR A 101 -6.358 -3.682 -0.577 1.00 0.00 C ATOM 1113 O THR A 101 -5.742 -2.747 -1.114 1.00 0.00 O ATOM 1114 CB THR A 101 -8.544 -4.815 -1.195 1.00 0.00 C ATOM 1115 OG1 THR A 101 -7.951 -5.101 -2.443 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.042 -4.661 -1.446 1.00 0.00 C ATOM 0 H THR A 101 -7.851 -2.034 -1.848 1.00 0.00 H new ATOM 0 HA THR A 101 -8.158 -3.673 0.568 1.00 0.00 H new ATOM 0 HB THR A 101 -8.386 -5.628 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.404 -5.868 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.420 -5.551 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.559 -4.534 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.218 -3.787 -2.074 1.00 0.00 H new ATOM 1124 N ALA A 102 -5.739 -4.756 -0.059 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.305 -4.976 -0.190 1.00 0.00 C ATOM 1126 C ALA A 102 -3.892 -6.460 -0.150 1.00 0.00 C ATOM 1127 O ALA A 102 -3.009 -6.827 0.633 1.00 0.00 O ATOM 1128 CB ALA A 102 -3.585 -4.147 0.887 1.00 0.00 C ATOM 0 H ALA A 102 -6.224 -5.489 0.459 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.003 -4.644 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.509 -4.299 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.814 -3.091 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.921 -4.463 1.875 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.495 -7.303 -0.990 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.276 -8.747 -1.005 1.00 0.00 C ATOM 1136 C HIS A 103 -2.877 -9.085 -1.522 1.00 0.00 C ATOM 1137 O HIS A 103 -2.593 -8.940 -2.712 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.357 -9.430 -1.858 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.999 -10.828 -2.312 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -5.101 -11.294 -3.601 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.422 -11.818 -1.559 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.586 -12.536 -3.625 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.148 -12.898 -2.406 1.00 0.00 N ATOM 0 H HIS A 103 -5.164 -6.992 -1.694 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.347 -9.121 0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.283 -9.473 -1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.554 -8.814 -2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.216 -11.772 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.531 -13.159 -4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.706 -13.781 -2.151 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.002 -9.591 -0.659 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.692 -10.102 -1.050 1.00 0.00 C ATOM 1154 C LEU A 104 -0.863 -11.505 -1.629 1.00 0.00 C ATOM 1155 O LEU A 104 -1.193 -12.448 -0.908 1.00 0.00 O ATOM 1156 CB LEU A 104 0.244 -9.971 0.168 1.00 0.00 C ATOM 1157 CG LEU A 104 1.517 -10.825 0.367 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.477 -11.862 1.477 1.00 0.00 C ATOM 1159 CD2 LEU A 104 2.013 -11.538 -0.865 1.00 0.00 C ATOM 0 H LEU A 104 -2.184 -9.659 0.342 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.218 -9.533 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.567 -8.930 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.376 -10.136 1.049 1.00 0.00 H new ATOM 0 HG LEU A 104 2.205 -10.029 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.428 -12.393 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.301 -11.366 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.673 -12.572 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.909 -12.108 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.240 -12.215 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.249 -10.807 -1.638 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.601 -11.669 -2.923 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.515 -12.956 -3.608 1.00 0.00 C ATOM 1173 C ASP A 105 0.865 -13.547 -3.306 1.00 0.00 C ATOM 1174 O ASP A 105 1.858 -13.130 -3.900 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.710 -12.781 -5.130 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.930 -13.513 -5.681 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -2.108 -14.705 -5.356 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -2.710 -12.907 -6.449 1.00 0.00 O ATOM 0 H ASP A 105 -0.436 -10.879 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.301 -13.624 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.802 -11.719 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.181 -13.140 -5.645 1.00 0.00 H new ATOM 1184 N VAL A 106 0.987 -14.412 -2.294 1.00 0.00 N ATOM 1185 CA VAL A 106 2.298 -14.799 -1.761 1.00 0.00 C ATOM 1186 C VAL A 106 2.936 -15.871 -2.619 1.00 0.00 C ATOM 1187 O VAL A 106 4.163 -15.955 -2.670 1.00 0.00 O ATOM 1188 CB VAL A 106 2.161 -15.236 -0.289 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.611 -16.655 -0.095 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.491 -15.098 0.469 1.00 0.00 C ATOM 0 H VAL A 106 0.196 -14.857 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 106 2.963 -13.936 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 106 1.422 -14.551 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.548 -16.878 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.618 -16.724 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.275 -17.372 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.355 -15.415 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.247 -15.723 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.815 -14.058 0.448 1.00 0.00 H new ATOM 1200 N GLY A 107 2.117 -16.669 -3.305 1.00 0.00 N ATOM 1201 CA GLY A 107 2.619 -17.734 -4.136 1.00 0.00 C ATOM 1202 C GLY A 107 3.309 -17.114 -5.339 1.00 0.00 C ATOM 1203 O GLY A 107 4.470 -17.421 -5.600 1.00 0.00 O ATOM 0 H GLY A 107 1.100 -16.587 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.318 -18.356 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.803 -18.381 -4.458 1.00 0.00 H new ATOM 1207 N GLN A 108 2.623 -16.191 -6.018 1.00 0.00 N ATOM 1208 CA GLN A 108 3.164 -15.470 -7.168 1.00 0.00 C ATOM 1209 C GLN A 108 4.026 -14.263 -6.756 1.00 0.00 C ATOM 1210 O GLN A 108 4.569 -13.597 -7.633 1.00 0.00 O ATOM 1211 CB GLN A 108 2.007 -15.044 -8.092 1.00 0.00 C ATOM 1212 CG GLN A 108 1.324 -16.243 -8.782 1.00 0.00 C ATOM 1213 CD GLN A 108 1.446 -16.191 -10.306 1.00 0.00 C ATOM 1214 OE1 GLN A 108 0.473 -15.907 -11.004 1.00 0.00 O ATOM 1215 NE2 GLN A 108 2.627 -16.444 -10.856 1.00 0.00 N ATOM 0 H GLN A 108 1.668 -15.922 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 108 3.830 -16.143 -7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.267 -14.495 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.387 -14.361 -8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.768 -17.169 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.270 -16.264 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.425 -16.678 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.737 -16.404 -11.869 1.00 0.00 H new ATOM 1224 N GLN A 109 4.171 -13.984 -5.456 1.00 0.00 N ATOM 1225 CA GLN A 109 4.852 -12.820 -4.896 1.00 0.00 C ATOM 1226 C GLN A 109 4.460 -11.503 -5.598 1.00 0.00 C ATOM 1227 O GLN A 109 5.299 -10.846 -6.212 1.00 0.00 O ATOM 1228 CB GLN A 109 6.377 -13.088 -4.788 1.00 0.00 C ATOM 1229 CG GLN A 109 6.762 -13.552 -3.373 1.00 0.00 C ATOM 1230 CD GLN A 109 8.248 -13.352 -3.053 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.078 -14.244 -3.221 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.606 -12.171 -2.577 1.00 0.00 N ATOM 0 H GLN A 109 3.796 -14.597 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 109 4.504 -12.666 -3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.668 -13.847 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.927 -12.181 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.164 -13.006 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.513 -14.607 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.906 -11.441 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.582 -11.990 -2.344 1.00 0.00 H new ATOM 1241 N ARG A 110 3.205 -11.071 -5.414 1.00 0.00 N ATOM 1242 CA ARG A 110 2.641 -9.800 -5.898 1.00 0.00 C ATOM 1243 C ARG A 110 1.830 -9.144 -4.791 1.00 0.00 C ATOM 1244 O ARG A 110 1.546 -9.758 -3.765 1.00 0.00 O ATOM 1245 CB ARG A 110 1.847 -10.085 -7.200 1.00 0.00 C ATOM 1246 CG ARG A 110 1.154 -8.884 -7.873 1.00 0.00 C ATOM 1247 CD ARG A 110 0.309 -9.245 -9.098 1.00 0.00 C ATOM 1248 NE ARG A 110 1.112 -9.513 -10.299 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.604 -9.732 -11.520 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -0.700 -9.646 -11.750 1.00 0.00 N ATOM 1251 NH2 ARG A 110 1.385 -10.040 -12.543 1.00 0.00 N ATOM 0 H ARG A 110 2.521 -11.624 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 110 3.417 -9.078 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.530 -10.531 -7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.087 -10.833 -6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.516 -8.391 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.914 -8.162 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.294 -10.124 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.383 -8.429 -9.307 1.00 0.00 H new ATOM 0 HE ARG A 110 2.127 -9.534 -10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.337 -9.409 -10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.065 -9.817 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.394 -10.115 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.978 -10.203 -13.464 1.00 0.00 H new ATOM 1265 N LEU A 111 1.496 -7.863 -4.948 1.00 0.00 N ATOM 1266 CA LEU A 111 0.543 -7.172 -4.086 1.00 0.00 C ATOM 1267 C LEU A 111 -0.613 -6.685 -4.919 1.00 0.00 C ATOM 1268 O LEU A 111 -0.379 -5.931 -5.849 1.00 0.00 O ATOM 1269 CB LEU A 111 1.187 -6.047 -3.289 1.00 0.00 C ATOM 1270 CG LEU A 111 0.260 -5.287 -2.346 1.00 0.00 C ATOM 1271 CD1 LEU A 111 -0.350 -6.250 -1.346 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.031 -4.196 -1.595 1.00 0.00 C ATOM 0 H LEU A 111 1.884 -7.273 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 111 0.173 -7.878 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.007 -6.464 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.625 -5.336 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.528 -4.819 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.012 -5.705 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.920 -7.013 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.443 -6.725 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.352 -3.665 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.831 -4.652 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.459 -3.494 -2.311 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.826 -7.112 -4.598 1.00 0.00 N ATOM 1285 CA ASN A 112 -3.031 -6.777 -5.344 1.00 0.00 C ATOM 1286 C ASN A 112 -3.794 -5.720 -4.563 1.00 0.00 C ATOM 1287 O ASN A 112 -4.563 -6.032 -3.649 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.910 -8.005 -5.597 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.186 -9.130 -6.310 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.825 -9.012 -7.477 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -2.949 -10.228 -5.616 1.00 0.00 N ATOM 0 H ASN A 112 -2.004 -7.714 -3.794 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.748 -6.394 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -4.288 -8.374 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.775 -7.707 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.453 -11.008 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.261 -10.297 -4.647 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.538 -4.456 -4.874 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.258 -3.327 -4.309 1.00 0.00 C ATOM 1300 C LEU A 113 -5.466 -3.012 -5.201 1.00 0.00 C ATOM 1301 O LEU A 113 -5.478 -3.321 -6.393 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.299 -2.126 -4.188 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.008 -2.411 -3.400 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.018 -1.252 -3.415 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.290 -2.780 -1.946 1.00 0.00 C ATOM 0 H LEU A 113 -2.812 -4.184 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.628 -3.559 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.031 -1.790 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.828 -1.303 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.558 -3.258 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.132 -1.523 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.731 -1.032 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.482 -0.371 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.349 -2.972 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.811 -1.957 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.912 -3.675 -1.912 1.00 0.00 H new ATOM 1317 N THR A 114 -6.457 -2.326 -4.650 1.00 0.00 N ATOM 1318 CA THR A 114 -7.685 -1.888 -5.312 1.00 0.00 C ATOM 1319 C THR A 114 -8.018 -0.515 -4.726 1.00 0.00 C ATOM 1320 O THR A 114 -7.799 -0.346 -3.527 1.00 0.00 O ATOM 1321 CB THR A 114 -8.799 -2.904 -4.994 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.502 -4.193 -5.499 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.165 -2.484 -5.524 1.00 0.00 C ATOM 0 H THR A 114 -6.427 -2.042 -3.671 1.00 0.00 H new ATOM 0 HA THR A 114 -7.580 -1.824 -6.395 1.00 0.00 H new ATOM 0 HB THR A 114 -8.843 -2.933 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.265 -4.788 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.904 -3.243 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.451 -1.532 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.118 -2.377 -6.608 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.514 0.456 -5.503 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.076 1.713 -4.980 1.00 0.00 C ATOM 1333 C ILE A 115 -10.267 2.143 -5.865 1.00 0.00 C ATOM 1334 O ILE A 115 -10.099 2.210 -7.085 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.013 2.845 -4.909 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.746 2.437 -4.135 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.580 4.096 -4.225 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.637 3.492 -4.101 1.00 0.00 C ATOM 0 H ILE A 115 -8.538 0.393 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.416 1.536 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.748 3.049 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.027 2.195 -3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.346 1.526 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.814 4.870 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.439 4.461 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -8.891 3.847 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.789 3.110 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.320 3.719 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.012 4.399 -3.627 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.418 2.553 -5.291 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.672 2.838 -6.014 1.00 0.00 C ATOM 1352 C PRO A 116 -12.697 4.167 -6.768 1.00 0.00 C ATOM 1353 O PRO A 116 -13.774 4.676 -7.097 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.779 2.803 -4.956 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.051 3.270 -3.724 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.676 2.625 -3.862 1.00 0.00 C ATOM 0 HA PRO A 116 -12.799 2.092 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.609 3.461 -5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.192 1.802 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -12.983 4.357 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.556 2.949 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -10.913 3.216 -3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.662 1.633 -3.411 1.00 0.00 H new ATOM 1364 N GLN A 117 -11.535 4.789 -6.979 1.00 0.00 N ATOM 1365 CA GLN A 117 -11.262 5.930 -7.797 1.00 0.00 C ATOM 1366 C GLN A 117 -11.738 7.244 -7.189 1.00 0.00 C ATOM 1367 O GLN A 117 -11.086 8.281 -7.316 1.00 0.00 O ATOM 1368 CB GLN A 117 -11.749 5.655 -9.208 1.00 0.00 C ATOM 1369 CG GLN A 117 -11.411 4.237 -9.729 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.005 4.183 -11.190 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -11.356 3.248 -11.907 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.222 5.159 -11.624 1.00 0.00 N ATOM 0 H GLN A 117 -10.685 4.455 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.184 6.083 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.830 5.795 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.311 6.392 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.603 3.825 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.278 3.593 -9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.955 5.916 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.886 5.153 -12.587 1.00 0.00 H new ATOM 1381 N ALA A 118 -12.797 7.150 -6.399 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.284 8.150 -5.488 1.00 0.00 C ATOM 1383 C ALA A 118 -12.143 8.667 -4.630 1.00 0.00 C ATOM 1384 O ALA A 118 -11.970 9.871 -4.435 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.396 7.548 -4.632 1.00 0.00 C ATOM 0 H ALA A 118 -13.373 6.308 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.692 8.995 -6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -14.770 8.301 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.209 7.212 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.004 6.700 -4.070 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.317 7.736 -4.158 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.131 8.067 -3.400 1.00 0.00 C ATOM 1393 C PHE A 119 -8.871 7.986 -4.267 1.00 0.00 C ATOM 1394 O PHE A 119 -7.874 7.461 -3.790 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.057 7.219 -2.120 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.366 7.090 -1.360 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -11.783 8.033 -0.403 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.173 5.976 -1.605 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -12.962 7.832 0.338 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.353 5.770 -0.884 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.756 6.697 0.094 1.00 0.00 C ATOM 0 H PHE A 119 -11.458 6.735 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.194 9.107 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.707 6.221 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.310 7.654 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.192 8.921 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.881 5.264 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.256 8.547 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -13.957 4.896 -1.079 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.667 6.539 0.652 1.00 0.00 H new ATOM 1411 N MET A 120 -8.851 8.478 -5.512 1.00 0.00 N ATOM 1412 CA MET A 120 -7.668 8.479 -6.366 1.00 0.00 C ATOM 1413 C MET A 120 -7.358 9.867 -6.924 1.00 0.00 C ATOM 1414 O MET A 120 -8.099 10.400 -7.751 1.00 0.00 O ATOM 1415 CB MET A 120 -7.805 7.462 -7.499 1.00 0.00 C ATOM 1416 CG MET A 120 -7.689 6.026 -6.989 1.00 0.00 C ATOM 1417 SD MET A 120 -7.693 4.759 -8.282 1.00 0.00 S ATOM 1418 CE MET A 120 -5.980 4.880 -8.870 1.00 0.00 C ATOM 0 H MET A 120 -9.671 8.892 -5.956 1.00 0.00 H new ATOM 0 HA MET A 120 -6.827 8.186 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.767 7.596 -7.993 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.034 7.645 -8.247 1.00 0.00 H new ATOM 0 HG2 MET A 120 -6.769 5.933 -6.412 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.515 5.830 -6.305 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.819 4.160 -9.672 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.794 5.887 -9.243 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.297 4.666 -8.048 1.00 0.00 H new ATOM 1428 N SER A 121 -6.252 10.473 -6.489 1.00 0.00 N ATOM 1429 CA SER A 121 -5.669 11.677 -7.074 1.00 0.00 C ATOM 1430 C SER A 121 -4.164 11.655 -6.815 1.00 0.00 C ATOM 1431 O SER A 121 -3.704 10.943 -5.923 1.00 0.00 O ATOM 1432 CB SER A 121 -6.280 12.943 -6.479 1.00 0.00 C ATOM 1433 OG SER A 121 -7.652 13.047 -6.832 1.00 0.00 O ATOM 0 H SER A 121 -5.720 10.125 -5.691 1.00 0.00 H new ATOM 0 HA SER A 121 -5.876 11.688 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.178 12.928 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.739 13.818 -6.838 1.00 0.00 H new ATOM 0 HG SER A 121 -7.929 12.238 -7.310 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.399 12.471 -7.545 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.954 12.575 -7.333 1.00 0.00 C ATOM 1441 C ASN A 122 -1.629 13.251 -6.007 1.00 0.00 C ATOM 1442 O ASN A 122 -0.588 12.977 -5.417 1.00 0.00 O ATOM 1443 CB ASN A 122 -1.280 13.387 -8.448 1.00 0.00 C ATOM 1444 CG ASN A 122 -1.556 12.853 -9.840 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -2.212 13.534 -10.621 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -1.165 11.634 -10.149 1.00 0.00 N ATOM 0 H ASN A 122 -3.757 13.070 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.575 11.553 -7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.621 14.421 -8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -0.203 13.397 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.407 11.235 -11.056 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.620 11.089 -9.481 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.469 14.199 -5.571 1.00 0.00 N ATOM 1454 CA ARG A 123 -2.163 15.049 -4.427 1.00 0.00 C ATOM 1455 C ARG A 123 -2.175 14.245 -3.130 1.00 0.00 C ATOM 1456 O ARG A 123 -3.240 13.963 -2.579 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.050 16.308 -4.408 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.557 16.103 -4.191 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.286 17.392 -4.581 1.00 0.00 C ATOM 1460 NE ARG A 123 -6.740 17.279 -4.396 1.00 0.00 N ATOM 1461 CZ ARG A 123 -7.683 17.690 -5.251 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.361 18.316 -6.377 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -8.961 17.461 -4.974 1.00 0.00 N ATOM 0 H ARG A 123 -3.373 14.393 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.145 15.424 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.682 16.968 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.913 16.832 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.916 15.268 -4.793 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.759 15.854 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.907 18.219 -3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -5.070 17.630 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 123 -7.061 16.845 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -6.381 18.490 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.093 18.622 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -9.217 16.975 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -9.686 17.771 -5.621 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.995 13.897 -2.621 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.864 13.548 -1.221 1.00 0.00 C ATOM 1479 C ALA A 124 -0.975 14.833 -0.393 1.00 0.00 C ATOM 1480 O ALA A 124 -0.817 15.950 -0.896 1.00 0.00 O ATOM 1481 CB ALA A 124 0.481 12.850 -0.959 1.00 0.00 C ATOM 0 H ALA A 124 -0.128 13.851 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.655 12.853 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.559 12.596 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.541 11.940 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.297 13.518 -1.233 1.00 0.00 H new ATOM 1487 N ARG A 125 -1.143 14.691 0.919 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.564 15.626 1.875 1.00 0.00 C ATOM 1489 C ARG A 125 0.851 15.112 2.115 1.00 0.00 C ATOM 1490 O ARG A 125 1.008 14.054 2.731 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.401 15.677 3.167 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.590 16.654 3.117 1.00 0.00 C ATOM 1493 CD ARG A 125 -2.222 18.085 3.548 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.405 18.808 2.554 1.00 0.00 N ATOM 1495 CZ ARG A 125 -0.599 19.853 2.803 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -0.343 20.253 4.050 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -0.048 20.491 1.773 1.00 0.00 N ATOM 0 H ARG A 125 -1.678 13.934 1.344 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.550 16.652 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.777 14.677 3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.751 15.957 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.988 16.679 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.385 16.281 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.138 18.647 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.678 18.043 4.492 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.457 18.484 1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.763 19.762 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.273 21.050 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -0.241 20.183 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.568 21.288 1.937 1.00 0.00 H new ATOM 1511 N GLY A 126 1.857 15.799 1.572 1.00 0.00 N ATOM 1512 CA GLY A 126 3.270 15.487 1.739 1.00 0.00 C ATOM 1513 C GLY A 126 3.935 15.252 0.393 1.00 0.00 C ATOM 1514 O GLY A 126 4.284 16.243 -0.248 1.00 0.00 O ATOM 0 H GLY A 126 1.700 16.617 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.769 16.306 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.380 14.600 2.363 1.00 0.00 H new ATOM 1518 N TYR A 127 4.071 13.984 -0.024 1.00 0.00 N ATOM 1519 CA TYR A 127 4.907 13.423 -1.100 1.00 0.00 C ATOM 1520 C TYR A 127 6.306 13.155 -0.566 1.00 0.00 C ATOM 1521 O TYR A 127 7.033 14.080 -0.209 1.00 0.00 O ATOM 1522 CB TYR A 127 4.934 14.220 -2.435 1.00 0.00 C ATOM 1523 CG TYR A 127 6.092 13.961 -3.399 1.00 0.00 C ATOM 1524 CD1 TYR A 127 6.673 12.685 -3.558 1.00 0.00 C ATOM 1525 CD2 TYR A 127 6.632 15.048 -4.124 1.00 0.00 C ATOM 1526 CE1 TYR A 127 7.815 12.514 -4.357 1.00 0.00 C ATOM 1527 CE2 TYR A 127 7.715 14.860 -5.001 1.00 0.00 C ATOM 1528 CZ TYR A 127 8.320 13.589 -5.113 1.00 0.00 C ATOM 1529 OH TYR A 127 9.339 13.382 -5.988 1.00 0.00 O ATOM 0 H TYR A 127 3.540 13.244 0.435 1.00 0.00 H new ATOM 0 HA TYR A 127 4.426 12.489 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.004 14.015 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 127 4.934 15.282 -2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.235 11.832 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 127 6.208 16.034 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.308 11.554 -4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 127 8.084 15.688 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 127 9.568 14.226 -6.430 1.00 0.00 H new ATOM 1539 N ILE A 128 6.665 11.868 -0.517 1.00 0.00 N ATOM 1540 CA ILE A 128 7.959 11.305 -0.173 1.00 0.00 C ATOM 1541 C ILE A 128 8.196 10.152 -1.154 1.00 0.00 C ATOM 1542 O ILE A 128 7.282 9.353 -1.360 1.00 0.00 O ATOM 1543 CB ILE A 128 7.943 10.837 1.299 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.769 12.044 2.239 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.160 9.987 1.708 1.00 0.00 C ATOM 1546 CD1 ILE A 128 8.948 13.027 2.235 1.00 0.00 C ATOM 0 H ILE A 128 5.991 11.135 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 128 8.769 12.030 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 128 7.086 10.170 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.863 12.581 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.620 11.679 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 128 9.069 9.701 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.202 9.090 1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.072 10.567 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 128 8.741 13.846 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.855 12.509 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.086 13.425 1.230 1.00 0.00 H new ATOM 1558 N PRO A 129 9.367 10.068 -1.801 1.00 0.00 N ATOM 1559 CA PRO A 129 9.645 9.017 -2.761 1.00 0.00 C ATOM 1560 C PRO A 129 10.091 7.733 -2.043 1.00 0.00 C ATOM 1561 O PRO A 129 10.645 7.796 -0.940 1.00 0.00 O ATOM 1562 CB PRO A 129 10.760 9.589 -3.636 1.00 0.00 C ATOM 1563 CG PRO A 129 11.524 10.537 -2.708 1.00 0.00 C ATOM 1564 CD PRO A 129 10.532 10.910 -1.606 1.00 0.00 C ATOM 0 HA PRO A 129 8.770 8.739 -3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.408 8.801 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.356 10.118 -4.499 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.409 10.053 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.866 11.422 -3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.968 10.748 -0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.263 11.965 -1.666 1.00 0.00 H new ATOM 1572 N PRO A 130 9.983 6.560 -2.693 1.00 0.00 N ATOM 1573 CA PRO A 130 10.470 5.293 -2.155 1.00 0.00 C ATOM 1574 C PRO A 130 11.995 5.212 -1.968 1.00 0.00 C ATOM 1575 O PRO A 130 12.498 4.163 -1.570 1.00 0.00 O ATOM 1576 CB PRO A 130 9.953 4.202 -3.102 1.00 0.00 C ATOM 1577 CG PRO A 130 9.690 4.943 -4.412 1.00 0.00 C ATOM 1578 CD PRO A 130 9.283 6.339 -3.950 1.00 0.00 C ATOM 0 HA PRO A 130 10.093 5.171 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.687 3.407 -3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.045 3.737 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.578 4.971 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.901 4.465 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 130 9.559 7.091 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.204 6.407 -3.814 1.00 0.00 H new ATOM 1586 N GLU A 131 12.749 6.272 -2.260 1.00 0.00 N ATOM 1587 CA GLU A 131 14.176 6.359 -1.962 1.00 0.00 C ATOM 1588 C GLU A 131 14.449 6.815 -0.519 1.00 0.00 C ATOM 1589 O GLU A 131 15.576 6.687 -0.049 1.00 0.00 O ATOM 1590 CB GLU A 131 14.812 7.307 -2.990 1.00 0.00 C ATOM 1591 CG GLU A 131 16.338 7.167 -3.023 1.00 0.00 C ATOM 1592 CD GLU A 131 16.935 7.727 -4.316 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.503 6.937 -5.109 1.00 0.00 O ATOM 1594 OE2 GLU A 131 16.828 8.949 -4.585 1.00 0.00 O ATOM 0 H GLU A 131 12.379 7.106 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 131 14.623 5.368 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.406 7.096 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.546 8.336 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.769 7.689 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.608 6.116 -2.924 1.00 0.00 H new ATOM 1602 N LEU A 132 13.444 7.346 0.189 1.00 0.00 N ATOM 1603 CA LEU A 132 13.620 7.923 1.526 1.00 0.00 C ATOM 1604 C LEU A 132 12.865 7.153 2.605 1.00 0.00 C ATOM 1605 O LEU A 132 13.175 7.285 3.782 1.00 0.00 O ATOM 1606 CB LEU A 132 13.180 9.394 1.517 1.00 0.00 C ATOM 1607 CG LEU A 132 14.081 10.321 0.681 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.589 11.764 0.839 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.551 10.250 1.102 1.00 0.00 C ATOM 0 H LEU A 132 12.483 7.387 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 132 14.679 7.853 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.162 9.454 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 132 13.156 9.760 2.543 1.00 0.00 H new ATOM 0 HG LEU A 132 14.020 9.991 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.220 12.430 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.559 11.838 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.637 12.052 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.141 10.923 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.645 10.546 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.916 9.230 0.980 1.00 0.00 H new ATOM 1621 N TRP A 133 11.890 6.339 2.213 1.00 0.00 N ATOM 1622 CA TRP A 133 11.067 5.535 3.110 1.00 0.00 C ATOM 1623 C TRP A 133 11.671 4.155 3.395 1.00 0.00 C ATOM 1624 O TRP A 133 11.003 3.329 4.020 1.00 0.00 O ATOM 1625 CB TRP A 133 9.676 5.467 2.490 1.00 0.00 C ATOM 1626 CG TRP A 133 9.347 4.264 1.669 1.00 0.00 C ATOM 1627 CD1 TRP A 133 10.130 3.639 0.763 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.147 3.465 1.778 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.469 2.532 0.271 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.254 2.355 0.898 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.987 3.579 2.562 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.252 1.384 0.816 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.953 2.632 2.459 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.089 1.533 1.597 1.00 0.00 C ATOM 0 H TRP A 133 11.643 6.217 1.231 1.00 0.00 H new ATOM 0 HA TRP A 133 11.013 5.999 4.095 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.945 5.535 3.295 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.543 6.349 1.863 1.00 0.00 H new ATOM 0 HD1 TRP A 133 11.120 3.956 0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.833 1.923 -0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.888 4.404 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.368 0.531 0.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 5.053 2.750 3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.299 0.799 1.532 1.00 0.00 H new ATOM 1645 N ASP A 134 12.872 3.907 2.856 1.00 0.00 N ATOM 1646 CA ASP A 134 13.512 2.630 2.562 1.00 0.00 C ATOM 1647 C ASP A 134 13.266 1.591 3.659 1.00 0.00 C ATOM 1648 O ASP A 134 13.939 1.619 4.688 1.00 0.00 O ATOM 1649 CB ASP A 134 14.996 2.806 2.184 1.00 0.00 C ATOM 1650 CG ASP A 134 15.849 3.720 3.062 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.518 4.923 3.157 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.970 3.321 3.455 1.00 0.00 O ATOM 0 H ASP A 134 13.478 4.683 2.589 1.00 0.00 H new ATOM 0 HA ASP A 134 13.033 2.219 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.460 1.820 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.039 3.186 1.163 1.00 0.00 H new ATOM 1658 N PRO A 135 12.260 0.705 3.492 1.00 0.00 N ATOM 1659 CA PRO A 135 11.718 -0.044 4.611 1.00 0.00 C ATOM 1660 C PRO A 135 12.608 -1.251 4.940 1.00 0.00 C ATOM 1661 O PRO A 135 12.957 -1.466 6.102 1.00 0.00 O ATOM 1662 CB PRO A 135 10.301 -0.451 4.192 1.00 0.00 C ATOM 1663 CG PRO A 135 10.373 -0.503 2.672 1.00 0.00 C ATOM 1664 CD PRO A 135 11.380 0.590 2.338 1.00 0.00 C ATOM 0 HA PRO A 135 11.687 0.547 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 135 10.021 -1.417 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.560 0.272 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.704 -1.479 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.402 -0.310 2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.946 0.336 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.875 1.535 2.139 1.00 0.00 H new ATOM 1672 N GLY A 136 13.012 -2.042 3.936 1.00 0.00 N ATOM 1673 CA GLY A 136 14.069 -3.027 4.118 1.00 0.00 C ATOM 1674 C GLY A 136 14.710 -3.351 2.789 1.00 0.00 C ATOM 1675 O GLY A 136 14.607 -4.478 2.313 1.00 0.00 O ATOM 0 H GLY A 136 12.620 -2.014 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.820 -2.643 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.659 -3.933 4.564 1.00 0.00 H new ATOM 1679 N ILE A 137 15.321 -2.347 2.159 1.00 0.00 N ATOM 1680 CA ILE A 137 15.965 -2.503 0.865 1.00 0.00 C ATOM 1681 C ILE A 137 17.300 -3.223 1.083 1.00 0.00 C ATOM 1682 O ILE A 137 18.332 -2.567 1.219 1.00 0.00 O ATOM 1683 CB ILE A 137 16.143 -1.141 0.152 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.838 -0.314 0.082 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.673 -1.436 -1.258 1.00 0.00 C ATOM 1686 CD1 ILE A 137 15.006 1.018 -0.668 1.00 0.00 C ATOM 0 H ILE A 137 15.380 -1.402 2.537 1.00 0.00 H new ATOM 0 HA ILE A 137 15.337 -3.101 0.204 1.00 0.00 H new ATOM 0 HB ILE A 137 16.841 -0.530 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.066 -0.906 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.488 -0.112 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.813 -0.499 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.626 -1.960 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.956 -2.059 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 137 14.055 1.550 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.756 1.628 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.327 0.822 -1.691 1.00 0.00 H new ATOM 1698 N ASN A 138 17.270 -4.560 1.083 1.00 0.00 N ATOM 1699 CA ASN A 138 18.389 -5.459 1.384 1.00 0.00 C ATOM 1700 C ASN A 138 19.283 -4.863 2.466 1.00 0.00 C ATOM 1701 O ASN A 138 20.403 -4.417 2.203 1.00 0.00 O ATOM 1702 CB ASN A 138 19.177 -5.856 0.129 1.00 0.00 C ATOM 1703 CG ASN A 138 18.347 -6.774 -0.742 1.00 0.00 C ATOM 1704 OD1 ASN A 138 18.083 -7.921 -0.409 1.00 0.00 O ATOM 1705 ND2 ASN A 138 17.848 -6.280 -1.857 1.00 0.00 N ATOM 0 H ASN A 138 16.416 -5.072 0.861 1.00 0.00 H new ATOM 0 HA ASN A 138 17.970 -6.386 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.455 -4.964 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 138 20.103 -6.354 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 138 17.241 -6.854 -2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 138 18.068 -5.324 -2.134 1.00 0.00 H new ATOM 1712 N ALA A 139 18.737 -4.773 3.670 1.00 0.00 N ATOM 1713 CA ALA A 139 19.288 -4.047 4.792 1.00 0.00 C ATOM 1714 C ALA A 139 19.114 -4.931 6.011 1.00 0.00 C ATOM 1715 O ALA A 139 18.208 -5.795 5.983 1.00 0.00 O ATOM 1716 CB ALA A 139 18.556 -2.705 4.920 1.00 0.00 C ATOM 0 H ALA A 139 17.853 -5.229 3.896 1.00 0.00 H new ATOM 0 HA ALA A 139 20.347 -3.818 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 139 18.963 -2.148 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.691 -2.128 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.493 -2.884 5.082 1.00 0.00 H new TER 1722 ALA A 139