USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 745 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 82 LYS NZ :NH3+ -161:sc= -1.15 (180deg=0) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -2.71 K(o=-3.9,f=-6.3!) USER MOD Set 2.1: A 29 SER OG : rot -47:sc= 0.0917 USER MOD Set 2.2: A 70 THR OG1 : rot 172:sc= 0.0357 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 65 HIS :FLIP no HD1:sc= -1.26 F(o=-2,f=-1.3) USER MOD Set 4.1: A 55 GLN :FLIP amide:sc= 0.639 F(o=0.41,f=1.3) USER MOD Set 4.2: A 106 SER OG : rot -94:sc= 0.682 USER MOD Set 5.1: A 35 ASN :FLIP amide:sc= -0.473 F(o=-1.4,f=-0.89) USER MOD Set 5.2: A 38 ASN : amide:sc= -0.422 K(o=-0.89,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 138:sc= 1.25 USER MOD Single : A 30 SER OG : rot 42:sc= 0.452 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 26:sc= 0.143 USER MOD Single : A 61 CYS SG : rot -170:sc= -8.26! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 69 TYR OH : rot 170:sc= 0.933 USER MOD Single : A 72 MET CE :methyl 159:sc= -0.173 (180deg=-0.829) USER MOD Single : A 76 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.9) USER MOD Single : A 77 TYR OH : rot -38:sc= 1.48 USER MOD Single : A 83 TYR OH : rot 150:sc= -0.501 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -169:sc= -1.49 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -53:sc= 0.108 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.291 -28.732 -21.727 1.00 0.00 N ATOM 2 CA GLY A 1 9.375 -29.948 -20.939 1.00 0.00 C ATOM 3 C GLY A 1 8.015 -30.442 -20.488 1.00 0.00 C ATOM 4 O GLY A 1 7.099 -30.586 -21.298 1.00 0.00 O ATOM 0 H1 GLY A 1 10.247 -28.436 -22.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.717 -28.907 -22.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.850 -27.980 -21.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.864 -30.725 -21.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.001 -29.768 -20.065 1.00 0.00 H new ATOM 8 N SER A 2 7.882 -30.703 -19.191 1.00 0.00 N ATOM 9 CA SER A 2 6.625 -31.189 -18.635 1.00 0.00 C ATOM 10 C SER A 2 5.841 -30.051 -17.988 1.00 0.00 C ATOM 11 O SER A 2 6.420 -29.069 -17.525 1.00 0.00 O ATOM 12 CB SER A 2 6.890 -32.290 -17.606 1.00 0.00 C ATOM 13 OG SER A 2 7.535 -31.770 -16.457 1.00 0.00 O ATOM 0 H SER A 2 8.629 -30.586 -18.506 1.00 0.00 H new ATOM 0 HA SER A 2 6.030 -31.599 -19.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.948 -32.757 -17.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.508 -33.068 -18.053 1.00 0.00 H new ATOM 0 HG SER A 2 7.691 -32.493 -15.814 1.00 0.00 H new ATOM 19 N SER A 3 4.520 -30.192 -17.960 1.00 0.00 N ATOM 20 CA SER A 3 3.654 -29.175 -17.374 1.00 0.00 C ATOM 21 C SER A 3 3.633 -29.291 -15.853 1.00 0.00 C ATOM 22 O SER A 3 3.976 -30.332 -15.294 1.00 0.00 O ATOM 23 CB SER A 3 2.234 -29.303 -17.927 1.00 0.00 C ATOM 24 OG SER A 3 1.579 -28.047 -17.948 1.00 0.00 O ATOM 0 H SER A 3 4.025 -31.001 -18.336 1.00 0.00 H new ATOM 0 HA SER A 3 4.052 -28.196 -17.641 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.269 -29.715 -18.935 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.664 -30.003 -17.316 1.00 0.00 H new ATOM 0 HG SER A 3 0.674 -28.156 -18.307 1.00 0.00 H new ATOM 30 N GLY A 4 3.226 -28.213 -15.189 1.00 0.00 N ATOM 31 CA GLY A 4 3.167 -28.214 -13.739 1.00 0.00 C ATOM 32 C GLY A 4 3.870 -27.017 -13.130 1.00 0.00 C ATOM 33 O GLY A 4 5.099 -26.959 -13.100 1.00 0.00 O ATOM 0 H GLY A 4 2.936 -27.340 -15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.125 -28.220 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.621 -29.130 -13.360 1.00 0.00 H new ATOM 37 N SER A 5 3.089 -26.058 -12.643 1.00 0.00 N ATOM 38 CA SER A 5 3.644 -24.854 -12.037 1.00 0.00 C ATOM 39 C SER A 5 2.805 -24.411 -10.842 1.00 0.00 C ATOM 40 O SER A 5 1.588 -24.257 -10.947 1.00 0.00 O ATOM 41 CB SER A 5 3.719 -23.726 -13.068 1.00 0.00 C ATOM 42 OG SER A 5 4.485 -22.639 -12.579 1.00 0.00 O ATOM 0 H SER A 5 2.070 -26.092 -12.656 1.00 0.00 H new ATOM 0 HA SER A 5 4.650 -25.084 -11.687 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.162 -24.101 -13.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.713 -23.385 -13.313 1.00 0.00 H new ATOM 0 HG SER A 5 4.519 -21.932 -13.257 1.00 0.00 H new ATOM 48 N SER A 6 3.464 -24.208 -9.706 1.00 0.00 N ATOM 49 CA SER A 6 2.780 -23.787 -8.490 1.00 0.00 C ATOM 50 C SER A 6 3.262 -22.409 -8.044 1.00 0.00 C ATOM 51 O SER A 6 2.461 -21.515 -7.775 1.00 0.00 O ATOM 52 CB SER A 6 3.008 -24.806 -7.372 1.00 0.00 C ATOM 53 OG SER A 6 4.387 -24.938 -7.076 1.00 0.00 O ATOM 0 H SER A 6 4.472 -24.328 -9.603 1.00 0.00 H new ATOM 0 HA SER A 6 1.713 -23.727 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.469 -24.495 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.602 -25.773 -7.669 1.00 0.00 H new ATOM 0 HG SER A 6 4.506 -25.594 -6.357 1.00 0.00 H new ATOM 59 N GLY A 7 4.580 -22.247 -7.968 1.00 0.00 N ATOM 60 CA GLY A 7 5.148 -20.977 -7.555 1.00 0.00 C ATOM 61 C GLY A 7 6.015 -21.105 -6.318 1.00 0.00 C ATOM 62 O GLY A 7 6.184 -22.199 -5.781 1.00 0.00 O ATOM 0 H GLY A 7 5.264 -22.972 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.743 -20.566 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.343 -20.269 -7.359 1.00 0.00 H new ATOM 66 N ALA A 8 6.568 -19.984 -5.866 1.00 0.00 N ATOM 67 CA ALA A 8 7.422 -19.976 -4.685 1.00 0.00 C ATOM 68 C ALA A 8 7.263 -18.677 -3.902 1.00 0.00 C ATOM 69 O ALA A 8 7.020 -17.618 -4.479 1.00 0.00 O ATOM 70 CB ALA A 8 8.876 -20.179 -5.084 1.00 0.00 C ATOM 0 H ALA A 8 6.440 -19.070 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 8 7.115 -20.799 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.503 -20.171 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.983 -21.136 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.186 -19.375 -5.752 1.00 0.00 H new ATOM 76 N GLY A 9 7.402 -18.766 -2.582 1.00 0.00 N ATOM 77 CA GLY A 9 7.269 -17.591 -1.742 1.00 0.00 C ATOM 78 C GLY A 9 6.626 -17.903 -0.405 1.00 0.00 C ATOM 79 O GLY A 9 5.998 -18.949 -0.240 1.00 0.00 O ATOM 0 H GLY A 9 7.604 -19.631 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.254 -17.154 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.672 -16.842 -2.262 1.00 0.00 H new ATOM 83 N ASP A 10 6.785 -16.996 0.552 1.00 0.00 N ATOM 84 CA ASP A 10 6.215 -17.181 1.882 1.00 0.00 C ATOM 85 C ASP A 10 5.521 -15.908 2.357 1.00 0.00 C ATOM 86 O ASP A 10 6.143 -15.003 2.915 1.00 0.00 O ATOM 87 CB ASP A 10 7.306 -17.583 2.876 1.00 0.00 C ATOM 88 CG ASP A 10 8.351 -18.488 2.254 1.00 0.00 C ATOM 89 OD1 ASP A 10 7.965 -19.436 1.538 1.00 0.00 O ATOM 90 OD2 ASP A 10 9.555 -18.248 2.482 1.00 0.00 O ATOM 0 H ASP A 10 7.303 -16.126 0.432 1.00 0.00 H new ATOM 0 HA ASP A 10 5.474 -17.978 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.790 -16.686 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.850 -18.090 3.726 1.00 0.00 H new ATOM 95 N PRO A 11 4.201 -15.834 2.132 1.00 0.00 N ATOM 96 CA PRO A 11 3.394 -14.677 2.529 1.00 0.00 C ATOM 97 C PRO A 11 3.240 -14.568 4.042 1.00 0.00 C ATOM 98 O PRO A 11 3.305 -13.476 4.606 1.00 0.00 O ATOM 99 CB PRO A 11 2.038 -14.948 1.872 1.00 0.00 C ATOM 100 CG PRO A 11 1.980 -16.429 1.720 1.00 0.00 C ATOM 101 CD PRO A 11 3.394 -16.875 1.473 1.00 0.00 C ATOM 0 HA PRO A 11 3.852 -13.737 2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.218 -14.581 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.959 -14.448 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.574 -16.898 2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.331 -16.711 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.585 -17.860 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.614 -16.940 0.407 1.00 0.00 H new ATOM 109 N GLY A 12 3.038 -15.708 4.695 1.00 0.00 N ATOM 110 CA GLY A 12 2.879 -15.719 6.138 1.00 0.00 C ATOM 111 C GLY A 12 4.038 -15.054 6.853 1.00 0.00 C ATOM 112 O GLY A 12 3.890 -14.573 7.978 1.00 0.00 O ATOM 0 H GLY A 12 2.982 -16.624 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.952 -15.210 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.786 -16.749 6.483 1.00 0.00 H new ATOM 116 N LEU A 13 5.196 -15.027 6.203 1.00 0.00 N ATOM 117 CA LEU A 13 6.386 -14.418 6.785 1.00 0.00 C ATOM 118 C LEU A 13 6.554 -12.981 6.301 1.00 0.00 C ATOM 119 O LEU A 13 7.664 -12.448 6.278 1.00 0.00 O ATOM 120 CB LEU A 13 7.629 -15.236 6.428 1.00 0.00 C ATOM 121 CG LEU A 13 7.544 -16.738 6.701 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.869 -17.414 6.387 1.00 0.00 C ATOM 123 CD2 LEU A 13 7.141 -16.996 8.146 1.00 0.00 C ATOM 0 H LEU A 13 5.336 -15.420 5.272 1.00 0.00 H new ATOM 0 HA LEU A 13 6.265 -14.406 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.843 -15.091 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.476 -14.833 6.983 1.00 0.00 H new ATOM 0 HG LEU A 13 6.780 -17.163 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.789 -18.482 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.116 -17.259 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.653 -16.985 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.086 -18.070 8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.882 -16.557 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.167 -16.546 8.338 1.00 0.00 H new ATOM 135 N VAL A 14 5.445 -12.357 5.918 1.00 0.00 N ATOM 136 CA VAL A 14 5.468 -10.981 5.438 1.00 0.00 C ATOM 137 C VAL A 14 4.408 -10.137 6.137 1.00 0.00 C ATOM 138 O VAL A 14 3.247 -10.535 6.232 1.00 0.00 O ATOM 139 CB VAL A 14 5.241 -10.913 3.916 1.00 0.00 C ATOM 140 CG1 VAL A 14 5.219 -9.468 3.443 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.311 -11.707 3.182 1.00 0.00 C ATOM 0 H VAL A 14 4.518 -12.783 5.931 1.00 0.00 H new ATOM 0 HA VAL A 14 6.456 -10.582 5.669 1.00 0.00 H new ATOM 0 HB VAL A 14 4.272 -11.358 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.058 -9.440 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.412 -8.933 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.171 -8.993 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.135 -11.648 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.293 -11.294 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.273 -12.749 3.499 1.00 0.00 H new ATOM 151 N SER A 15 4.815 -8.969 6.624 1.00 0.00 N ATOM 152 CA SER A 15 3.901 -8.070 7.318 1.00 0.00 C ATOM 153 C SER A 15 4.115 -6.627 6.870 1.00 0.00 C ATOM 154 O SER A 15 5.174 -6.278 6.349 1.00 0.00 O ATOM 155 CB SER A 15 4.093 -8.181 8.831 1.00 0.00 C ATOM 156 OG SER A 15 3.323 -9.242 9.367 1.00 0.00 O ATOM 0 H SER A 15 5.772 -8.623 6.551 1.00 0.00 H new ATOM 0 HA SER A 15 2.881 -8.363 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.147 -8.343 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.806 -7.243 9.307 1.00 0.00 H new ATOM 0 HG SER A 15 3.465 -9.293 10.335 1.00 0.00 H new ATOM 162 N ALA A 16 3.102 -5.793 7.079 1.00 0.00 N ATOM 163 CA ALA A 16 3.178 -4.388 6.700 1.00 0.00 C ATOM 164 C ALA A 16 2.622 -3.491 7.801 1.00 0.00 C ATOM 165 O ALA A 16 1.611 -3.812 8.425 1.00 0.00 O ATOM 166 CB ALA A 16 2.431 -4.151 5.396 1.00 0.00 C ATOM 0 H ALA A 16 2.218 -6.066 7.509 1.00 0.00 H new ATOM 0 HA ALA A 16 4.228 -4.133 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.496 -3.097 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.876 -4.757 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.384 -4.429 5.520 1.00 0.00 H new ATOM 172 N TYR A 17 3.289 -2.366 8.034 1.00 0.00 N ATOM 173 CA TYR A 17 2.863 -1.424 9.062 1.00 0.00 C ATOM 174 C TYR A 17 3.013 0.015 8.579 1.00 0.00 C ATOM 175 O TYR A 17 3.857 0.313 7.735 1.00 0.00 O ATOM 176 CB TYR A 17 3.675 -1.632 10.342 1.00 0.00 C ATOM 177 CG TYR A 17 5.170 -1.598 10.123 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.870 -0.398 10.159 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.883 -2.765 9.878 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.236 -0.362 9.958 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.250 -2.739 9.678 1.00 0.00 C ATOM 182 CZ TYR A 17 7.922 -1.535 9.718 1.00 0.00 C ATOM 183 OH TYR A 17 9.283 -1.504 9.518 1.00 0.00 O ATOM 0 H TYR A 17 4.127 -2.084 7.525 1.00 0.00 H new ATOM 0 HA TYR A 17 1.810 -1.608 9.274 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.404 -0.861 11.063 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.403 -2.591 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.337 0.522 10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.360 -3.709 9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.764 0.579 9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.789 -3.656 9.491 1.00 0.00 H new ATOM 0 HH TYR A 17 9.612 -2.414 9.363 1.00 0.00 H new ATOM 193 N GLY A 18 2.188 0.904 9.123 1.00 0.00 N ATOM 194 CA GLY A 18 2.245 2.302 8.736 1.00 0.00 C ATOM 195 C GLY A 18 0.881 2.965 8.756 1.00 0.00 C ATOM 196 O GLY A 18 -0.154 2.301 8.812 1.00 0.00 O ATOM 0 H GLY A 18 1.482 0.682 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.915 2.836 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.670 2.382 7.735 1.00 0.00 H new ATOM 200 N PRO A 19 0.870 4.305 8.710 1.00 0.00 N ATOM 201 CA PRO A 19 -0.370 5.087 8.722 1.00 0.00 C ATOM 202 C PRO A 19 -1.162 4.939 7.428 1.00 0.00 C ATOM 203 O PRO A 19 -2.350 5.255 7.376 1.00 0.00 O ATOM 204 CB PRO A 19 0.121 6.528 8.887 1.00 0.00 C ATOM 205 CG PRO A 19 1.505 6.521 8.335 1.00 0.00 C ATOM 206 CD PRO A 19 2.067 5.161 8.642 1.00 0.00 C ATOM 0 HA PRO A 19 -1.050 4.761 9.509 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.517 7.228 8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.114 6.832 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.498 6.707 7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.110 7.305 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.757 4.827 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.618 5.157 9.582 1.00 0.00 H new ATOM 214 N GLY A 20 -0.496 4.455 6.384 1.00 0.00 N ATOM 215 CA GLY A 20 -1.155 4.273 5.104 1.00 0.00 C ATOM 216 C GLY A 20 -2.185 3.162 5.135 1.00 0.00 C ATOM 217 O GLY A 20 -3.256 3.280 4.537 1.00 0.00 O ATOM 0 H GLY A 20 0.488 4.186 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.639 5.205 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.408 4.050 4.343 1.00 0.00 H new ATOM 221 N LEU A 21 -1.863 2.078 5.832 1.00 0.00 N ATOM 222 CA LEU A 21 -2.768 0.939 5.937 1.00 0.00 C ATOM 223 C LEU A 21 -3.972 1.279 6.810 1.00 0.00 C ATOM 224 O LEU A 21 -5.112 0.981 6.455 1.00 0.00 O ATOM 225 CB LEU A 21 -2.032 -0.272 6.513 1.00 0.00 C ATOM 226 CG LEU A 21 -0.635 -0.538 5.950 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.239 -1.220 6.991 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.721 -1.382 4.687 1.00 0.00 C ATOM 0 H LEU A 21 -0.982 1.964 6.333 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.125 0.697 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.948 -0.142 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.644 -1.158 6.345 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.179 0.418 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.229 -1.401 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.328 -0.579 7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.212 -2.169 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.282 -1.561 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.197 -2.335 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.310 -0.855 3.937 1.00 0.00 H new ATOM 240 N GLU A 22 -3.709 1.906 7.953 1.00 0.00 N ATOM 241 CA GLU A 22 -4.772 2.287 8.876 1.00 0.00 C ATOM 242 C GLU A 22 -5.504 3.530 8.378 1.00 0.00 C ATOM 243 O GLU A 22 -6.684 3.726 8.667 1.00 0.00 O ATOM 244 CB GLU A 22 -4.198 2.544 10.271 1.00 0.00 C ATOM 245 CG GLU A 22 -3.992 1.279 11.086 1.00 0.00 C ATOM 246 CD GLU A 22 -3.378 1.554 12.446 1.00 0.00 C ATOM 247 OE1 GLU A 22 -2.453 2.389 12.521 1.00 0.00 O ATOM 248 OE2 GLU A 22 -3.824 0.934 13.434 1.00 0.00 O ATOM 0 H GLU A 22 -2.771 2.160 8.261 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.484 1.464 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.244 3.062 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.868 3.211 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.950 0.777 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.348 0.595 10.532 1.00 0.00 H new ATOM 255 N GLY A 23 -4.794 4.368 7.629 1.00 0.00 N ATOM 256 CA GLY A 23 -5.391 5.582 7.104 1.00 0.00 C ATOM 257 C GLY A 23 -4.757 6.835 7.675 1.00 0.00 C ATOM 258 O GLY A 23 -3.853 6.758 8.506 1.00 0.00 O ATOM 0 H GLY A 23 -3.816 4.228 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.293 5.591 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.458 5.584 7.327 1.00 0.00 H new ATOM 262 N GLY A 24 -5.231 7.993 7.228 1.00 0.00 N ATOM 263 CA GLY A 24 -4.692 9.252 7.709 1.00 0.00 C ATOM 264 C GLY A 24 -5.568 10.434 7.349 1.00 0.00 C ATOM 265 O GLY A 24 -6.760 10.451 7.657 1.00 0.00 O ATOM 0 H GLY A 24 -5.979 8.082 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.579 9.205 8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.697 9.401 7.290 1.00 0.00 H new ATOM 269 N THR A 25 -4.977 11.429 6.694 1.00 0.00 N ATOM 270 CA THR A 25 -5.711 12.623 6.293 1.00 0.00 C ATOM 271 C THR A 25 -5.703 12.790 4.778 1.00 0.00 C ATOM 272 O THR A 25 -4.837 12.252 4.087 1.00 0.00 O ATOM 273 CB THR A 25 -5.120 13.889 6.941 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.341 13.864 8.356 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.745 15.143 6.347 1.00 0.00 C ATOM 0 H THR A 25 -3.992 11.431 6.430 1.00 0.00 H new ATOM 0 HA THR A 25 -6.738 12.494 6.636 1.00 0.00 H new ATOM 0 HB THR A 25 -4.049 13.906 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.961 14.671 8.761 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.312 16.024 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.550 15.174 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.821 15.130 6.520 1.00 0.00 H new ATOM 283 N THR A 26 -6.673 13.541 4.265 1.00 0.00 N ATOM 284 CA THR A 26 -6.778 13.779 2.831 1.00 0.00 C ATOM 285 C THR A 26 -5.675 14.713 2.347 1.00 0.00 C ATOM 286 O THR A 26 -5.223 15.590 3.082 1.00 0.00 O ATOM 287 CB THR A 26 -8.146 14.383 2.461 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.437 15.497 3.312 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.248 13.342 2.584 1.00 0.00 C ATOM 0 H THR A 26 -7.397 13.995 4.822 1.00 0.00 H new ATOM 0 HA THR A 26 -6.672 12.811 2.341 1.00 0.00 H new ATOM 0 HB THR A 26 -8.101 14.721 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.828 16.221 2.780 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.205 13.792 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.039 12.510 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.291 12.978 3.610 1.00 0.00 H new ATOM 297 N GLY A 27 -5.246 14.520 1.103 1.00 0.00 N ATOM 298 CA GLY A 27 -4.200 15.354 0.541 1.00 0.00 C ATOM 299 C GLY A 27 -2.902 15.257 1.319 1.00 0.00 C ATOM 300 O GLY A 27 -2.091 16.184 1.305 1.00 0.00 O ATOM 0 H GLY A 27 -5.604 13.801 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.023 15.061 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.535 16.391 0.526 1.00 0.00 H new ATOM 304 N VAL A 28 -2.704 14.133 2.000 1.00 0.00 N ATOM 305 CA VAL A 28 -1.496 13.919 2.787 1.00 0.00 C ATOM 306 C VAL A 28 -0.733 12.692 2.300 1.00 0.00 C ATOM 307 O VAL A 28 -1.157 11.558 2.518 1.00 0.00 O ATOM 308 CB VAL A 28 -1.824 13.746 4.282 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.555 13.486 5.081 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.556 14.969 4.812 1.00 0.00 C ATOM 0 H VAL A 28 -3.365 13.356 2.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.874 14.805 2.659 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.479 12.882 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.807 13.366 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.076 12.577 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.127 14.328 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.780 14.829 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.928 15.851 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.486 15.104 4.259 1.00 0.00 H new ATOM 320 N SER A 29 0.396 12.928 1.640 1.00 0.00 N ATOM 321 CA SER A 29 1.218 11.843 1.118 1.00 0.00 C ATOM 322 C SER A 29 1.497 10.804 2.201 1.00 0.00 C ATOM 323 O SER A 29 2.355 11.004 3.061 1.00 0.00 O ATOM 324 CB SER A 29 2.537 12.391 0.569 1.00 0.00 C ATOM 325 OG SER A 29 2.307 13.437 -0.359 1.00 0.00 O ATOM 0 H SER A 29 0.763 13.862 1.454 1.00 0.00 H new ATOM 0 HA SER A 29 0.669 11.362 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.152 12.758 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.095 11.589 0.087 1.00 0.00 H new ATOM 0 HG SER A 29 1.612 13.164 -0.994 1.00 0.00 H new ATOM 331 N SER A 30 0.766 9.695 2.151 1.00 0.00 N ATOM 332 CA SER A 30 0.932 8.626 3.129 1.00 0.00 C ATOM 333 C SER A 30 1.883 7.554 2.606 1.00 0.00 C ATOM 334 O SER A 30 2.097 7.434 1.400 1.00 0.00 O ATOM 335 CB SER A 30 -0.423 8.001 3.466 1.00 0.00 C ATOM 336 OG SER A 30 -1.361 8.992 3.848 1.00 0.00 O ATOM 0 H SER A 30 0.053 9.513 1.444 1.00 0.00 H new ATOM 0 HA SER A 30 1.361 9.057 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.799 7.453 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.303 7.279 4.274 1.00 0.00 H new ATOM 0 HG SER A 30 -1.270 9.772 3.262 1.00 0.00 H new ATOM 342 N GLU A 31 2.451 6.778 3.524 1.00 0.00 N ATOM 343 CA GLU A 31 3.380 5.716 3.156 1.00 0.00 C ATOM 344 C GLU A 31 3.437 4.643 4.239 1.00 0.00 C ATOM 345 O GLU A 31 3.159 4.910 5.408 1.00 0.00 O ATOM 346 CB GLU A 31 4.778 6.292 2.918 1.00 0.00 C ATOM 347 CG GLU A 31 5.842 5.231 2.690 1.00 0.00 C ATOM 348 CD GLU A 31 6.480 4.757 3.982 1.00 0.00 C ATOM 349 OE1 GLU A 31 7.145 5.577 4.650 1.00 0.00 O ATOM 350 OE2 GLU A 31 6.315 3.568 4.325 1.00 0.00 O ATOM 0 H GLU A 31 2.284 6.865 4.527 1.00 0.00 H new ATOM 0 HA GLU A 31 3.022 5.258 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.746 6.955 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.062 6.901 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.396 4.380 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.614 5.632 2.033 1.00 0.00 H new ATOM 357 N PHE A 32 3.799 3.428 3.842 1.00 0.00 N ATOM 358 CA PHE A 32 3.892 2.313 4.777 1.00 0.00 C ATOM 359 C PHE A 32 5.018 1.363 4.382 1.00 0.00 C ATOM 360 O PHE A 32 5.334 1.216 3.201 1.00 0.00 O ATOM 361 CB PHE A 32 2.564 1.554 4.832 1.00 0.00 C ATOM 362 CG PHE A 32 2.060 1.131 3.482 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.497 -0.049 2.903 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.149 1.914 2.792 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.035 -0.441 1.661 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.682 1.527 1.550 1.00 0.00 C ATOM 367 CZ PHE A 32 1.127 0.348 0.983 1.00 0.00 C ATOM 0 H PHE A 32 4.033 3.190 2.878 1.00 0.00 H new ATOM 0 HA PHE A 32 4.113 2.718 5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.685 0.671 5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.814 2.184 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.207 -0.670 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.800 2.838 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.384 -1.364 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.030 2.145 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.765 0.044 0.012 1.00 0.00 H new ATOM 377 N ILE A 33 5.620 0.721 5.378 1.00 0.00 N ATOM 378 CA ILE A 33 6.710 -0.215 5.135 1.00 0.00 C ATOM 379 C ILE A 33 6.203 -1.652 5.102 1.00 0.00 C ATOM 380 O ILE A 33 5.276 -2.012 5.827 1.00 0.00 O ATOM 381 CB ILE A 33 7.807 -0.093 6.209 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.518 1.257 6.093 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.803 -1.236 6.081 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.564 1.482 7.163 1.00 0.00 C ATOM 0 H ILE A 33 5.371 0.832 6.361 1.00 0.00 H new ATOM 0 HA ILE A 33 7.135 0.040 4.164 1.00 0.00 H new ATOM 0 HB ILE A 33 7.340 -0.152 7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.991 1.327 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.777 2.055 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.572 -1.136 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.285 -2.186 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.267 -1.206 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.027 2.458 7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.093 1.445 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.326 0.705 7.096 1.00 0.00 H new ATOM 396 N VAL A 34 6.820 -2.472 4.256 1.00 0.00 N ATOM 397 CA VAL A 34 6.434 -3.873 4.131 1.00 0.00 C ATOM 398 C VAL A 34 7.629 -4.794 4.346 1.00 0.00 C ATOM 399 O VAL A 34 8.438 -5.000 3.442 1.00 0.00 O ATOM 400 CB VAL A 34 5.818 -4.163 2.749 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.503 -5.644 2.605 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.570 -3.320 2.534 1.00 0.00 C ATOM 0 H VAL A 34 7.589 -2.190 3.648 1.00 0.00 H new ATOM 0 HA VAL A 34 5.688 -4.066 4.902 1.00 0.00 H new ATOM 0 HB VAL A 34 6.545 -3.895 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.069 -5.830 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.420 -6.223 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.794 -5.942 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.148 -3.538 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.836 -3.554 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.831 -2.263 2.590 1.00 0.00 H new ATOM 412 N ASN A 35 7.734 -5.347 5.550 1.00 0.00 N ATOM 413 CA ASN A 35 8.831 -6.247 5.885 1.00 0.00 C ATOM 414 C ASN A 35 8.689 -7.575 5.148 1.00 0.00 C ATOM 415 O ASN A 35 7.764 -8.347 5.407 1.00 0.00 O ATOM 416 CB ASN A 35 8.875 -6.491 7.395 1.00 0.00 C ATOM 417 CG ASN A 35 10.057 -7.346 7.808 1.00 0.00 C ATOM 418 OD1 ASN A 35 11.166 -6.699 8.147 1.00 0.00 O flip ATOM 419 ND2 ASN A 35 9.974 -8.575 7.823 1.00 0.00 N flip ATOM 0 H ASN A 35 7.073 -5.187 6.310 1.00 0.00 H new ATOM 0 HA ASN A 35 9.763 -5.776 5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.924 -5.534 7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.951 -6.977 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.102 -9.031 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.778 -9.137 8.104 1.00 0.00 H new ATOM 426 N THR A 36 9.613 -7.837 4.228 1.00 0.00 N ATOM 427 CA THR A 36 9.591 -9.071 3.453 1.00 0.00 C ATOM 428 C THR A 36 10.885 -9.856 3.633 1.00 0.00 C ATOM 429 O THR A 36 11.020 -10.974 3.134 1.00 0.00 O ATOM 430 CB THR A 36 9.379 -8.789 1.954 1.00 0.00 C ATOM 431 OG1 THR A 36 10.337 -7.827 1.496 1.00 0.00 O ATOM 432 CG2 THR A 36 7.972 -8.273 1.694 1.00 0.00 C ATOM 0 H THR A 36 10.386 -7.211 4.002 1.00 0.00 H new ATOM 0 HA THR A 36 8.755 -9.663 3.825 1.00 0.00 H new ATOM 0 HB THR A 36 9.513 -9.723 1.409 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.197 -7.654 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.846 -8.081 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.246 -9.019 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.815 -7.349 2.250 1.00 0.00 H new ATOM 440 N LEU A 37 11.836 -9.264 4.348 1.00 0.00 N ATOM 441 CA LEU A 37 13.121 -9.909 4.594 1.00 0.00 C ATOM 442 C LEU A 37 12.929 -11.365 5.007 1.00 0.00 C ATOM 443 O LEU A 37 13.455 -12.276 4.369 1.00 0.00 O ATOM 444 CB LEU A 37 13.892 -9.156 5.680 1.00 0.00 C ATOM 445 CG LEU A 37 14.109 -7.663 5.436 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.314 -6.930 6.753 1.00 0.00 C ATOM 447 CD2 LEU A 37 15.297 -7.441 4.511 1.00 0.00 C ATOM 0 H LEU A 37 11.741 -8.339 4.767 1.00 0.00 H new ATOM 0 HA LEU A 37 13.695 -9.886 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.361 -9.276 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.866 -9.629 5.800 1.00 0.00 H new ATOM 0 HG LEU A 37 13.218 -7.261 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.467 -5.868 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.434 -7.061 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.188 -7.335 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.437 -6.372 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.195 -7.859 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.111 -7.932 3.556 1.00 0.00 H new ATOM 459 N ASN A 38 12.171 -11.576 6.078 1.00 0.00 N ATOM 460 CA ASN A 38 11.909 -12.922 6.576 1.00 0.00 C ATOM 461 C ASN A 38 11.536 -13.861 5.432 1.00 0.00 C ATOM 462 O ASN A 38 11.959 -15.016 5.402 1.00 0.00 O ATOM 463 CB ASN A 38 10.785 -12.894 7.614 1.00 0.00 C ATOM 464 CG ASN A 38 11.058 -11.909 8.735 1.00 0.00 C ATOM 465 OD1 ASN A 38 10.244 -11.029 9.014 1.00 0.00 O ATOM 466 ND2 ASN A 38 12.209 -12.053 9.382 1.00 0.00 N ATOM 0 H ASN A 38 11.727 -10.833 6.618 1.00 0.00 H new ATOM 0 HA ASN A 38 12.820 -13.293 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.848 -12.632 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.657 -13.892 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.448 -11.419 10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.854 -12.797 9.116 1.00 0.00 H new ATOM 473 N ALA A 39 10.742 -13.356 4.494 1.00 0.00 N ATOM 474 CA ALA A 39 10.315 -14.148 3.347 1.00 0.00 C ATOM 475 C ALA A 39 11.499 -14.508 2.456 1.00 0.00 C ATOM 476 O ALA A 39 11.757 -15.681 2.193 1.00 0.00 O ATOM 477 CB ALA A 39 9.261 -13.396 2.549 1.00 0.00 C ATOM 0 H ALA A 39 10.381 -12.402 4.506 1.00 0.00 H new ATOM 0 HA ALA A 39 9.880 -15.075 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.952 -13.999 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.398 -13.196 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.677 -12.453 2.195 1.00 0.00 H new ATOM 483 N GLY A 40 12.217 -13.488 1.994 1.00 0.00 N ATOM 484 CA GLY A 40 13.365 -13.718 1.137 1.00 0.00 C ATOM 485 C GLY A 40 13.157 -13.185 -0.267 1.00 0.00 C ATOM 486 O GLY A 40 13.474 -12.030 -0.553 1.00 0.00 O ATOM 0 H GLY A 40 12.024 -12.507 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.243 -13.244 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.571 -14.787 1.090 1.00 0.00 H new ATOM 490 N SER A 41 12.623 -14.027 -1.145 1.00 0.00 N ATOM 491 CA SER A 41 12.377 -13.636 -2.528 1.00 0.00 C ATOM 492 C SER A 41 10.907 -13.821 -2.893 1.00 0.00 C ATOM 493 O SER A 41 10.239 -14.720 -2.385 1.00 0.00 O ATOM 494 CB SER A 41 13.256 -14.454 -3.476 1.00 0.00 C ATOM 495 OG SER A 41 14.506 -13.821 -3.687 1.00 0.00 O ATOM 0 H SER A 41 12.352 -14.985 -0.923 1.00 0.00 H new ATOM 0 HA SER A 41 12.628 -12.580 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.415 -15.450 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.745 -14.583 -4.430 1.00 0.00 H new ATOM 0 HG SER A 41 15.049 -14.365 -4.295 1.00 0.00 H new ATOM 501 N GLY A 42 10.411 -12.962 -3.778 1.00 0.00 N ATOM 502 CA GLY A 42 9.023 -13.047 -4.196 1.00 0.00 C ATOM 503 C GLY A 42 8.529 -11.761 -4.828 1.00 0.00 C ATOM 504 O GLY A 42 9.115 -10.697 -4.628 1.00 0.00 O ATOM 0 H GLY A 42 10.945 -12.209 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.910 -13.865 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.401 -13.287 -3.334 1.00 0.00 H new ATOM 508 N ALA A 43 7.447 -11.858 -5.594 1.00 0.00 N ATOM 509 CA ALA A 43 6.874 -10.693 -6.257 1.00 0.00 C ATOM 510 C ALA A 43 5.831 -10.017 -5.374 1.00 0.00 C ATOM 511 O ALA A 43 4.762 -10.573 -5.120 1.00 0.00 O ATOM 512 CB ALA A 43 6.260 -11.094 -7.590 1.00 0.00 C ATOM 0 H ALA A 43 6.950 -12.731 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 43 7.676 -9.978 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.836 -10.215 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.030 -11.525 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.474 -11.830 -7.422 1.00 0.00 H new ATOM 518 N LEU A 44 6.148 -8.814 -4.907 1.00 0.00 N ATOM 519 CA LEU A 44 5.238 -8.061 -4.051 1.00 0.00 C ATOM 520 C LEU A 44 4.267 -7.232 -4.884 1.00 0.00 C ATOM 521 O LEU A 44 4.672 -6.529 -5.811 1.00 0.00 O ATOM 522 CB LEU A 44 6.028 -7.150 -3.110 1.00 0.00 C ATOM 523 CG LEU A 44 5.201 -6.185 -2.259 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.477 -6.937 -1.153 1.00 0.00 C ATOM 525 CD2 LEU A 44 6.088 -5.096 -1.673 1.00 0.00 C ATOM 0 H LEU A 44 7.028 -8.339 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 44 4.663 -8.773 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.620 -7.776 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.730 -6.567 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 44 4.455 -5.713 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.894 -6.235 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.812 -7.680 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.206 -7.436 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.483 -4.419 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.856 -5.550 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.561 -4.538 -2.481 1.00 0.00 H new ATOM 537 N SER A 45 2.984 -7.316 -4.548 1.00 0.00 N ATOM 538 CA SER A 45 1.954 -6.575 -5.266 1.00 0.00 C ATOM 539 C SER A 45 1.237 -5.601 -4.336 1.00 0.00 C ATOM 540 O SER A 45 0.680 -5.998 -3.313 1.00 0.00 O ATOM 541 CB SER A 45 0.944 -7.539 -5.891 1.00 0.00 C ATOM 542 OG SER A 45 0.278 -6.939 -6.989 1.00 0.00 O ATOM 0 H SER A 45 2.633 -7.891 -3.782 1.00 0.00 H new ATOM 0 HA SER A 45 2.438 -6.004 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.456 -8.443 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.214 -7.843 -5.141 1.00 0.00 H new ATOM 0 HG SER A 45 -0.361 -7.576 -7.372 1.00 0.00 H new ATOM 548 N VAL A 46 1.256 -4.322 -4.700 1.00 0.00 N ATOM 549 CA VAL A 46 0.607 -3.291 -3.900 1.00 0.00 C ATOM 550 C VAL A 46 -0.321 -2.435 -4.755 1.00 0.00 C ATOM 551 O VAL A 46 0.018 -2.064 -5.879 1.00 0.00 O ATOM 552 CB VAL A 46 1.642 -2.379 -3.214 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.946 -1.279 -2.427 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.556 -3.194 -2.312 1.00 0.00 C ATOM 0 H VAL A 46 1.714 -3.976 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 46 0.022 -3.804 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 46 2.254 -1.910 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.693 -0.645 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.338 -0.677 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.308 -1.725 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.281 -2.533 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.961 -3.692 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.082 -3.941 -2.906 1.00 0.00 H new ATOM 564 N THR A 47 -1.495 -2.123 -4.214 1.00 0.00 N ATOM 565 CA THR A 47 -2.473 -1.311 -4.927 1.00 0.00 C ATOM 566 C THR A 47 -3.420 -0.614 -3.957 1.00 0.00 C ATOM 567 O THR A 47 -3.451 -0.933 -2.768 1.00 0.00 O ATOM 568 CB THR A 47 -3.299 -2.162 -5.910 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.506 -1.474 -6.259 1.00 0.00 O ATOM 570 CG2 THR A 47 -3.637 -3.515 -5.304 1.00 0.00 C ATOM 0 H THR A 47 -1.791 -2.421 -3.284 1.00 0.00 H new ATOM 0 HA THR A 47 -1.914 -0.561 -5.487 1.00 0.00 H new ATOM 0 HB THR A 47 -2.701 -2.324 -6.807 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.025 -2.021 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.220 -4.097 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.716 -4.048 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.217 -3.371 -4.393 1.00 0.00 H new ATOM 578 N ILE A 48 -4.191 0.338 -4.471 1.00 0.00 N ATOM 579 CA ILE A 48 -5.140 1.079 -3.650 1.00 0.00 C ATOM 580 C ILE A 48 -6.488 1.209 -4.350 1.00 0.00 C ATOM 581 O ILE A 48 -6.554 1.508 -5.542 1.00 0.00 O ATOM 582 CB ILE A 48 -4.613 2.486 -3.311 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.241 2.393 -2.639 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.599 3.219 -2.414 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.505 3.713 -2.582 1.00 0.00 C ATOM 0 H ILE A 48 -4.177 0.614 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.266 0.514 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.505 3.050 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.367 2.013 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.630 1.669 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.212 4.212 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.557 3.313 -2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.735 2.659 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.541 3.571 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.347 4.086 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.096 4.435 -2.018 1.00 0.00 H new ATOM 597 N ASP A 49 -7.562 0.983 -3.601 1.00 0.00 N ATOM 598 CA ASP A 49 -8.910 1.078 -4.148 1.00 0.00 C ATOM 599 C ASP A 49 -9.768 2.028 -3.318 1.00 0.00 C ATOM 600 O ASP A 49 -10.128 1.724 -2.182 1.00 0.00 O ATOM 601 CB ASP A 49 -9.561 -0.305 -4.198 1.00 0.00 C ATOM 602 CG ASP A 49 -10.578 -0.427 -5.316 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.482 0.347 -6.292 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.468 -1.296 -5.216 1.00 0.00 O ATOM 0 H ASP A 49 -7.525 0.733 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.838 1.474 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.788 -1.062 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.048 -0.509 -3.244 1.00 0.00 H new ATOM 609 N GLY A 50 -10.091 3.182 -3.895 1.00 0.00 N ATOM 610 CA GLY A 50 -10.903 4.160 -3.194 1.00 0.00 C ATOM 611 C GLY A 50 -11.867 4.880 -4.116 1.00 0.00 C ATOM 612 O GLY A 50 -12.023 4.527 -5.285 1.00 0.00 O ATOM 0 H GLY A 50 -9.805 3.457 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.464 3.662 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.252 4.890 -2.712 1.00 0.00 H new ATOM 616 N PRO A 51 -12.536 5.915 -3.586 1.00 0.00 N ATOM 617 CA PRO A 51 -13.503 6.708 -4.352 1.00 0.00 C ATOM 618 C PRO A 51 -12.833 7.562 -5.423 1.00 0.00 C ATOM 619 O PRO A 51 -13.487 8.031 -6.354 1.00 0.00 O ATOM 620 CB PRO A 51 -14.154 7.596 -3.289 1.00 0.00 C ATOM 621 CG PRO A 51 -13.134 7.704 -2.209 1.00 0.00 C ATOM 622 CD PRO A 51 -12.400 6.392 -2.200 1.00 0.00 C ATOM 0 HA PRO A 51 -14.210 6.078 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.408 8.576 -3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.079 7.155 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.451 8.532 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.605 7.894 -1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.354 6.519 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.838 5.691 -1.489 1.00 0.00 H new ATOM 630 N SER A 52 -11.526 7.759 -5.285 1.00 0.00 N ATOM 631 CA SER A 52 -10.769 8.559 -6.240 1.00 0.00 C ATOM 632 C SER A 52 -9.405 7.931 -6.514 1.00 0.00 C ATOM 633 O SER A 52 -8.722 7.475 -5.597 1.00 0.00 O ATOM 634 CB SER A 52 -10.590 9.984 -5.713 1.00 0.00 C ATOM 635 OG SER A 52 -11.834 10.656 -5.627 1.00 0.00 O ATOM 0 H SER A 52 -10.969 7.376 -4.521 1.00 0.00 H new ATOM 0 HA SER A 52 -11.329 8.592 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.120 9.955 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.919 10.537 -6.371 1.00 0.00 H new ATOM 0 HG SER A 52 -11.693 11.564 -5.286 1.00 0.00 H new ATOM 641 N LYS A 53 -9.015 7.911 -7.784 1.00 0.00 N ATOM 642 CA LYS A 53 -7.734 7.342 -8.183 1.00 0.00 C ATOM 643 C LYS A 53 -6.589 7.976 -7.400 1.00 0.00 C ATOM 644 O LYS A 53 -6.430 9.197 -7.393 1.00 0.00 O ATOM 645 CB LYS A 53 -7.510 7.538 -9.684 1.00 0.00 C ATOM 646 CG LYS A 53 -6.442 6.626 -10.264 1.00 0.00 C ATOM 647 CD LYS A 53 -5.974 7.112 -11.625 1.00 0.00 C ATOM 648 CE LYS A 53 -5.203 6.031 -12.368 1.00 0.00 C ATOM 649 NZ LYS A 53 -3.758 6.035 -12.010 1.00 0.00 N ATOM 0 H LYS A 53 -9.569 8.283 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.755 6.275 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.449 7.363 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.230 8.575 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.593 6.578 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.836 5.614 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.835 7.420 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.342 7.991 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.632 5.056 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.311 6.181 -13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.268 5.284 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.343 6.957 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.653 5.867 -10.989 1.00 0.00 H new ATOM 663 N VAL A 54 -5.792 7.140 -6.742 1.00 0.00 N ATOM 664 CA VAL A 54 -4.661 7.619 -5.958 1.00 0.00 C ATOM 665 C VAL A 54 -3.340 7.316 -6.656 1.00 0.00 C ATOM 666 O VAL A 54 -3.183 6.265 -7.277 1.00 0.00 O ATOM 667 CB VAL A 54 -4.643 6.987 -4.553 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.826 7.477 -3.732 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.644 5.469 -4.652 1.00 0.00 C ATOM 0 H VAL A 54 -5.909 6.127 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.778 8.698 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.728 7.295 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.797 7.020 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.776 8.561 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.755 7.201 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.631 5.039 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.541 5.139 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.761 5.140 -5.200 1.00 0.00 H new ATOM 679 N GLN A 55 -2.394 8.243 -6.550 1.00 0.00 N ATOM 680 CA GLN A 55 -1.086 8.074 -7.172 1.00 0.00 C ATOM 681 C GLN A 55 -0.092 7.460 -6.192 1.00 0.00 C ATOM 682 O GLN A 55 0.358 8.119 -5.253 1.00 0.00 O ATOM 683 CB GLN A 55 -0.560 9.419 -7.676 1.00 0.00 C ATOM 684 CG GLN A 55 0.519 9.290 -8.739 1.00 0.00 C ATOM 685 CD GLN A 55 1.022 10.635 -9.225 1.00 0.00 C ATOM 686 OE1 GLN A 55 0.182 11.351 -9.963 1.00 0.00 O flip ATOM 687 NE2 GLN A 55 2.155 11.027 -8.941 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.509 9.119 -6.040 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.199 7.396 -8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.391 9.996 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.162 9.983 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.355 8.718 -8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.125 8.726 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.768 10.444 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.480 11.934 -9.276 1.00 0.00 H new ATOM 696 N LEU A 56 0.247 6.195 -6.415 1.00 0.00 N ATOM 697 CA LEU A 56 1.189 5.492 -5.551 1.00 0.00 C ATOM 698 C LEU A 56 2.569 5.417 -6.196 1.00 0.00 C ATOM 699 O LEU A 56 2.689 5.298 -7.416 1.00 0.00 O ATOM 700 CB LEU A 56 0.678 4.082 -5.248 1.00 0.00 C ATOM 701 CG LEU A 56 0.678 3.101 -6.421 1.00 0.00 C ATOM 702 CD1 LEU A 56 2.016 2.385 -6.518 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.457 2.098 -6.277 1.00 0.00 C ATOM 0 H LEU A 56 -0.116 5.635 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 56 1.274 6.050 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.287 3.661 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.340 4.160 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 56 0.524 3.664 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.997 1.691 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.810 3.116 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.201 1.834 -5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.442 1.408 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.334 1.540 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.410 2.627 -6.258 1.00 0.00 H new ATOM 715 N ASP A 57 3.607 5.485 -5.370 1.00 0.00 N ATOM 716 CA ASP A 57 4.979 5.421 -5.859 1.00 0.00 C ATOM 717 C ASP A 57 5.774 4.354 -5.113 1.00 0.00 C ATOM 718 O ASP A 57 5.981 4.454 -3.903 1.00 0.00 O ATOM 719 CB ASP A 57 5.661 6.782 -5.707 1.00 0.00 C ATOM 720 CG ASP A 57 6.723 7.018 -6.763 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.607 6.149 -6.920 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.671 8.071 -7.431 1.00 0.00 O ATOM 0 H ASP A 57 3.524 5.584 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 57 4.949 5.153 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.911 7.570 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.115 6.850 -4.718 1.00 0.00 H new ATOM 727 N CYS A 58 6.214 3.334 -5.841 1.00 0.00 N ATOM 728 CA CYS A 58 6.984 2.247 -5.247 1.00 0.00 C ATOM 729 C CYS A 58 8.418 2.686 -4.968 1.00 0.00 C ATOM 730 O CYS A 58 9.047 3.346 -5.795 1.00 0.00 O ATOM 731 CB CYS A 58 6.981 1.028 -6.171 1.00 0.00 C ATOM 732 SG CYS A 58 7.790 1.307 -7.763 1.00 0.00 S ATOM 0 H CYS A 58 6.051 3.237 -6.843 1.00 0.00 H new ATOM 0 HA CYS A 58 6.515 1.977 -4.301 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.476 0.200 -5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.950 0.722 -6.348 1.00 0.00 H new ATOM 0 HG CYS A 58 8.672 2.254 -7.641 1.00 0.00 H new ATOM 738 N ARG A 59 8.928 2.315 -3.798 1.00 0.00 N ATOM 739 CA ARG A 59 10.286 2.673 -3.409 1.00 0.00 C ATOM 740 C ARG A 59 10.996 1.489 -2.759 1.00 0.00 C ATOM 741 O ARG A 59 10.402 0.429 -2.565 1.00 0.00 O ATOM 742 CB ARG A 59 10.268 3.861 -2.446 1.00 0.00 C ATOM 743 CG ARG A 59 10.058 5.200 -3.133 1.00 0.00 C ATOM 744 CD ARG A 59 11.173 5.498 -4.124 1.00 0.00 C ATOM 745 NE ARG A 59 11.369 6.933 -4.311 1.00 0.00 N ATOM 746 CZ ARG A 59 12.115 7.452 -5.280 1.00 0.00 C ATOM 747 NH1 ARG A 59 12.731 6.658 -6.145 1.00 0.00 N ATOM 748 NH2 ARG A 59 12.245 8.769 -5.386 1.00 0.00 N ATOM 0 H ARG A 59 8.421 1.767 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 59 10.832 2.953 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.476 3.711 -1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.210 3.887 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.099 5.198 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.014 5.991 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.101 5.048 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.939 5.036 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 59 10.908 7.571 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 59 12.633 5.646 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.303 7.060 -6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.772 9.383 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.818 9.167 -6.130 1.00 0.00 H new ATOM 762 N GLU A 60 12.269 1.678 -2.426 1.00 0.00 N ATOM 763 CA GLU A 60 13.058 0.624 -1.800 1.00 0.00 C ATOM 764 C GLU A 60 13.435 1.003 -0.371 1.00 0.00 C ATOM 765 O GLU A 60 14.022 2.060 -0.132 1.00 0.00 O ATOM 766 CB GLU A 60 14.323 0.349 -2.617 1.00 0.00 C ATOM 767 CG GLU A 60 14.064 -0.435 -3.892 1.00 0.00 C ATOM 768 CD GLU A 60 15.344 -0.809 -4.616 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.200 0.080 -4.807 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.488 -1.991 -4.991 1.00 0.00 O ATOM 0 H GLU A 60 12.775 2.550 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 60 12.450 -0.280 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.794 1.298 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.032 -0.202 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.509 -1.342 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.434 0.157 -4.557 1.00 0.00 H new ATOM 777 N CYS A 61 13.094 0.135 0.575 1.00 0.00 N ATOM 778 CA CYS A 61 13.395 0.379 1.981 1.00 0.00 C ATOM 779 C CYS A 61 14.313 -0.706 2.537 1.00 0.00 C ATOM 780 O CYS A 61 14.326 -1.843 2.066 1.00 0.00 O ATOM 781 CB CYS A 61 12.104 0.439 2.798 1.00 0.00 C ATOM 782 SG CYS A 61 10.927 -0.880 2.416 1.00 0.00 S ATOM 0 H CYS A 61 12.609 -0.744 0.394 1.00 0.00 H new ATOM 0 HA CYS A 61 13.908 1.338 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.355 0.392 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.623 1.402 2.627 1.00 0.00 H new ATOM 0 HG CYS A 61 9.791 -0.630 2.997 1.00 0.00 H new ATOM 788 N PRO A 62 15.100 -0.348 3.562 1.00 0.00 N ATOM 789 CA PRO A 62 16.036 -1.276 4.203 1.00 0.00 C ATOM 790 C PRO A 62 15.322 -2.359 5.003 1.00 0.00 C ATOM 791 O PRO A 62 15.960 -3.234 5.588 1.00 0.00 O ATOM 792 CB PRO A 62 16.849 -0.372 5.133 1.00 0.00 C ATOM 793 CG PRO A 62 15.953 0.782 5.419 1.00 0.00 C ATOM 794 CD PRO A 62 15.137 0.991 4.174 1.00 0.00 C ATOM 0 HA PRO A 62 16.641 -1.815 3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.127 -0.894 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.775 -0.046 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.312 0.575 6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.531 1.674 5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.136 1.355 4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.597 1.724 3.511 1.00 0.00 H new ATOM 802 N GLU A 63 13.994 -2.295 5.023 1.00 0.00 N ATOM 803 CA GLU A 63 13.194 -3.272 5.753 1.00 0.00 C ATOM 804 C GLU A 63 12.435 -4.181 4.790 1.00 0.00 C ATOM 805 O GLU A 63 11.945 -5.242 5.177 1.00 0.00 O ATOM 806 CB GLU A 63 12.209 -2.563 6.685 1.00 0.00 C ATOM 807 CG GLU A 63 12.853 -2.016 7.948 1.00 0.00 C ATOM 808 CD GLU A 63 12.902 -3.037 9.068 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.049 -3.950 9.076 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.793 -2.924 9.936 1.00 0.00 O ATOM 0 H GLU A 63 13.450 -1.578 4.543 1.00 0.00 H new ATOM 0 HA GLU A 63 13.870 -3.885 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.736 -1.743 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.418 -3.260 6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.866 -1.684 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.298 -1.140 8.284 1.00 0.00 H new ATOM 817 N GLY A 64 12.342 -3.757 3.534 1.00 0.00 N ATOM 818 CA GLY A 64 11.642 -4.544 2.535 1.00 0.00 C ATOM 819 C GLY A 64 11.146 -3.702 1.377 1.00 0.00 C ATOM 820 O GLY A 64 11.919 -3.330 0.494 1.00 0.00 O ATOM 0 H GLY A 64 12.739 -2.883 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.307 -5.320 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.796 -5.049 3.002 1.00 0.00 H new ATOM 824 N HIS A 65 9.851 -3.400 1.378 1.00 0.00 N ATOM 825 CA HIS A 65 9.252 -2.597 0.318 1.00 0.00 C ATOM 826 C HIS A 65 8.407 -1.470 0.903 1.00 0.00 C ATOM 827 O HIS A 65 7.654 -1.674 1.855 1.00 0.00 O ATOM 828 CB HIS A 65 8.393 -3.475 -0.592 1.00 0.00 C ATOM 829 CG HIS A 65 9.185 -4.454 -1.402 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.309 -5.798 -1.294 1.00 0.00 N flip ATOM 831 CD2 HIS A 65 9.975 -4.084 -2.470 1.00 0.00 C flip ATOM 832 CE1 HIS A 65 10.161 -6.210 -2.288 1.00 0.00 C flip ATOM 833 NE2 HIS A 65 10.548 -5.157 -2.984 1.00 0.00 N flip ATOM 0 H HIS A 65 9.197 -3.699 2.101 1.00 0.00 H new ATOM 0 HA HIS A 65 10.057 -2.156 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.672 -4.020 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.822 -2.836 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.105 -3.074 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.465 -7.230 -2.471 1.00 0.00 H new ATOM 0 HE2 HIS A 65 11.182 -5.170 -3.783 1.00 0.00 H new ATOM 842 N VAL A 66 8.537 -0.279 0.326 1.00 0.00 N ATOM 843 CA VAL A 66 7.785 0.881 0.790 1.00 0.00 C ATOM 844 C VAL A 66 7.078 1.577 -0.368 1.00 0.00 C ATOM 845 O VAL A 66 7.615 1.668 -1.472 1.00 0.00 O ATOM 846 CB VAL A 66 8.700 1.895 1.502 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.637 2.560 0.506 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.869 2.934 2.240 1.00 0.00 C ATOM 0 H VAL A 66 9.156 -0.093 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 66 7.042 0.514 1.498 1.00 0.00 H new ATOM 0 HB VAL A 66 9.306 1.361 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.276 3.273 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.256 1.802 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.052 3.083 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.531 3.643 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.236 3.466 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.243 2.439 2.983 1.00 0.00 H new ATOM 858 N VAL A 67 5.870 2.066 -0.109 1.00 0.00 N ATOM 859 CA VAL A 67 5.089 2.756 -1.129 1.00 0.00 C ATOM 860 C VAL A 67 4.403 3.990 -0.555 1.00 0.00 C ATOM 861 O VAL A 67 3.878 3.962 0.559 1.00 0.00 O ATOM 862 CB VAL A 67 4.023 1.828 -1.743 1.00 0.00 C ATOM 863 CG1 VAL A 67 3.174 2.584 -2.752 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.680 0.616 -2.387 1.00 0.00 C ATOM 0 H VAL A 67 5.410 1.997 0.799 1.00 0.00 H new ATOM 0 HA VAL A 67 5.787 3.062 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 67 3.368 1.477 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.427 1.912 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.674 3.416 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.811 2.966 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.913 -0.029 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.359 0.945 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.240 0.062 -1.633 1.00 0.00 H new ATOM 874 N THR A 68 4.408 5.075 -1.324 1.00 0.00 N ATOM 875 CA THR A 68 3.787 6.321 -0.892 1.00 0.00 C ATOM 876 C THR A 68 2.649 6.719 -1.824 1.00 0.00 C ATOM 877 O THR A 68 2.801 6.707 -3.046 1.00 0.00 O ATOM 878 CB THR A 68 4.813 7.469 -0.833 1.00 0.00 C ATOM 879 OG1 THR A 68 5.908 7.104 0.014 1.00 0.00 O ATOM 880 CG2 THR A 68 4.167 8.744 -0.314 1.00 0.00 C ATOM 0 H THR A 68 4.835 5.116 -2.249 1.00 0.00 H new ATOM 0 HA THR A 68 3.390 6.147 0.108 1.00 0.00 H new ATOM 0 HB THR A 68 5.181 7.651 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.557 7.838 0.045 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.910 9.541 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.352 9.035 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.775 8.571 0.688 1.00 0.00 H new ATOM 888 N TYR A 69 1.509 7.072 -1.241 1.00 0.00 N ATOM 889 CA TYR A 69 0.343 7.472 -2.020 1.00 0.00 C ATOM 890 C TYR A 69 -0.313 8.712 -1.420 1.00 0.00 C ATOM 891 O TYR A 69 -0.029 9.092 -0.283 1.00 0.00 O ATOM 892 CB TYR A 69 -0.669 6.328 -2.088 1.00 0.00 C ATOM 893 CG TYR A 69 -1.393 6.081 -0.784 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.434 6.907 -0.378 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.035 5.023 0.043 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.098 6.686 0.814 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.695 4.794 1.235 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.725 5.628 1.616 1.00 0.00 C ATOM 899 OH TYR A 69 -3.383 5.403 2.803 1.00 0.00 O ATOM 0 H TYR A 69 1.367 7.089 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 69 0.677 7.712 -3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.402 6.548 -2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.153 5.415 -2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.729 7.736 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.227 4.369 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.904 7.338 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.406 3.966 1.865 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.106 4.538 3.172 1.00 0.00 H new ATOM 909 N THR A 70 -1.195 9.339 -2.192 1.00 0.00 N ATOM 910 CA THR A 70 -1.893 10.535 -1.739 1.00 0.00 C ATOM 911 C THR A 70 -3.380 10.462 -2.068 1.00 0.00 C ATOM 912 O THR A 70 -3.780 10.375 -3.229 1.00 0.00 O ATOM 913 CB THR A 70 -1.300 11.807 -2.375 1.00 0.00 C ATOM 914 OG1 THR A 70 0.090 11.913 -2.052 1.00 0.00 O ATOM 915 CG2 THR A 70 -2.035 13.047 -1.891 1.00 0.00 C ATOM 0 H THR A 70 -1.443 9.038 -3.135 1.00 0.00 H new ATOM 0 HA THR A 70 -1.765 10.585 -0.658 1.00 0.00 H new ATOM 0 HB THR A 70 -1.417 11.735 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.489 12.649 -2.562 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.599 13.932 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.088 12.976 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.946 13.123 -0.807 1.00 0.00 H new ATOM 923 N PRO A 71 -4.220 10.500 -1.023 1.00 0.00 N ATOM 924 CA PRO A 71 -5.677 10.440 -1.176 1.00 0.00 C ATOM 925 C PRO A 71 -6.246 11.708 -1.805 1.00 0.00 C ATOM 926 O PRO A 71 -5.857 12.819 -1.445 1.00 0.00 O ATOM 927 CB PRO A 71 -6.179 10.285 0.262 1.00 0.00 C ATOM 928 CG PRO A 71 -5.106 10.883 1.104 1.00 0.00 C ATOM 929 CD PRO A 71 -3.813 10.604 0.389 1.00 0.00 C ATOM 0 HA PRO A 71 -5.984 9.631 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.129 10.799 0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.342 9.237 0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.260 11.955 1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.103 10.444 2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.089 11.405 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.349 9.683 0.742 1.00 0.00 H new ATOM 937 N MET A 72 -7.169 11.533 -2.745 1.00 0.00 N ATOM 938 CA MET A 72 -7.793 12.665 -3.422 1.00 0.00 C ATOM 939 C MET A 72 -9.122 13.026 -2.765 1.00 0.00 C ATOM 940 O MET A 72 -9.527 14.188 -2.762 1.00 0.00 O ATOM 941 CB MET A 72 -8.013 12.343 -4.901 1.00 0.00 C ATOM 942 CG MET A 72 -6.751 12.456 -5.741 1.00 0.00 C ATOM 943 SD MET A 72 -7.030 12.037 -7.473 1.00 0.00 S ATOM 944 CE MET A 72 -8.284 13.237 -7.914 1.00 0.00 C ATOM 0 H MET A 72 -7.501 10.620 -3.055 1.00 0.00 H new ATOM 0 HA MET A 72 -7.123 13.521 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.409 11.331 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.769 13.018 -5.303 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.365 13.473 -5.675 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.986 11.797 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.298 13.368 -8.996 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.259 12.884 -7.579 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.059 14.190 -7.436 1.00 0.00 H new ATOM 954 N ALA A 73 -9.795 12.023 -2.211 1.00 0.00 N ATOM 955 CA ALA A 73 -11.077 12.236 -1.551 1.00 0.00 C ATOM 956 C ALA A 73 -11.203 11.367 -0.304 1.00 0.00 C ATOM 957 O ALA A 73 -10.613 10.291 -0.206 1.00 0.00 O ATOM 958 CB ALA A 73 -12.220 11.952 -2.513 1.00 0.00 C ATOM 0 H ALA A 73 -9.474 11.055 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.129 13.280 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.171 12.115 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.147 12.619 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.162 10.918 -2.852 1.00 0.00 H new ATOM 964 N PRO A 74 -11.990 11.842 0.672 1.00 0.00 N ATOM 965 CA PRO A 74 -12.212 11.123 1.931 1.00 0.00 C ATOM 966 C PRO A 74 -13.047 9.862 1.738 1.00 0.00 C ATOM 967 O PRO A 74 -14.115 9.899 1.129 1.00 0.00 O ATOM 968 CB PRO A 74 -12.969 12.139 2.790 1.00 0.00 C ATOM 969 CG PRO A 74 -13.643 13.037 1.811 1.00 0.00 C ATOM 970 CD PRO A 74 -12.725 13.117 0.623 1.00 0.00 C ATOM 0 HA PRO A 74 -11.278 10.780 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.693 11.647 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.290 12.696 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.618 12.641 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.813 14.024 2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.281 13.224 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.052 13.972 0.692 1.00 0.00 H new ATOM 978 N GLY A 75 -12.552 8.744 2.262 1.00 0.00 N ATOM 979 CA GLY A 75 -13.265 7.487 2.137 1.00 0.00 C ATOM 980 C GLY A 75 -12.451 6.307 2.629 1.00 0.00 C ATOM 981 O GLY A 75 -11.520 6.472 3.416 1.00 0.00 O ATOM 0 H GLY A 75 -11.670 8.687 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.196 7.543 2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.535 7.328 1.093 1.00 0.00 H new ATOM 985 N ASN A 76 -12.804 5.112 2.166 1.00 0.00 N ATOM 986 CA ASN A 76 -12.100 3.899 2.567 1.00 0.00 C ATOM 987 C ASN A 76 -11.266 3.348 1.414 1.00 0.00 C ATOM 988 O ASN A 76 -11.801 2.771 0.467 1.00 0.00 O ATOM 989 CB ASN A 76 -13.097 2.839 3.041 1.00 0.00 C ATOM 990 CG ASN A 76 -14.096 3.391 4.040 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.867 4.435 4.651 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.210 2.689 4.211 1.00 0.00 N ATOM 0 H ASN A 76 -13.573 4.958 1.513 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.430 4.152 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.632 2.437 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.554 2.010 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.919 3.010 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.357 1.829 3.683 1.00 0.00 H new ATOM 999 N TYR A 77 -9.953 3.531 1.502 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.044 3.054 0.466 1.00 0.00 C ATOM 1001 C TYR A 77 -8.512 1.665 0.805 1.00 0.00 C ATOM 1002 O TYR A 77 -7.748 1.495 1.756 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.880 4.030 0.292 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.288 5.361 -0.299 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.752 6.389 0.512 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.211 5.589 -1.667 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.127 7.607 -0.023 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.582 6.804 -2.210 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.039 7.809 -1.384 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.412 9.020 -1.922 1.00 0.00 O ATOM 0 H TYR A 77 -9.495 4.006 2.280 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.600 2.991 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.412 4.201 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.127 3.573 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.821 6.234 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.855 4.803 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.487 8.396 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.514 6.966 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.195 9.363 -1.443 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.921 0.674 0.020 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.486 -0.701 0.235 1.00 0.00 C ATOM 1022 C LEU A 78 -7.101 -0.934 -0.361 1.00 0.00 C ATOM 1023 O LEU A 78 -6.908 -0.818 -1.571 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.489 -1.677 -0.383 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.455 -3.107 0.157 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.185 -3.815 -0.286 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -9.565 -3.106 1.675 1.00 0.00 C ATOM 0 H LEU A 78 -9.553 0.797 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.433 -0.875 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.492 -1.278 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.316 -1.712 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.309 -3.649 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.179 -4.831 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.148 -3.848 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.317 -3.274 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.539 -4.132 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.731 -2.547 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.504 -2.638 1.971 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.142 -1.263 0.497 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.776 -1.515 0.055 1.00 0.00 C ATOM 1041 C ILE A 79 -4.498 -3.011 -0.048 1.00 0.00 C ATOM 1042 O ILE A 79 -4.476 -3.719 0.958 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.748 -0.879 1.010 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -3.928 0.641 1.048 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.334 -1.240 0.583 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.381 1.282 2.305 1.00 0.00 C ATOM 0 H ILE A 79 -6.285 -1.361 1.502 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.675 -1.060 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.914 -1.271 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.433 1.079 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.989 0.876 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.619 -0.783 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.213 -2.323 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.154 -0.873 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.543 2.359 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.893 0.871 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.313 1.078 2.382 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.285 -3.484 -1.271 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.005 -4.896 -1.506 1.00 0.00 C ATOM 1060 C ALA A 80 -2.513 -5.186 -1.388 1.00 0.00 C ATOM 1061 O ALA A 80 -1.685 -4.468 -1.949 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.519 -5.315 -2.875 1.00 0.00 C ATOM 0 H ALA A 80 -4.301 -2.911 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.523 -5.476 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.303 -6.371 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.596 -5.153 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.027 -4.722 -3.646 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.176 -6.242 -0.654 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.784 -6.626 -0.463 1.00 0.00 C ATOM 1070 C ILE A 81 -0.602 -8.131 -0.626 1.00 0.00 C ATOM 1071 O ILE A 81 -1.105 -8.919 0.175 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.269 -6.205 0.926 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.316 -4.683 1.071 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.146 -6.720 1.144 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.016 -4.199 2.466 1.00 0.00 C ATOM 0 H ILE A 81 -2.849 -6.846 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.206 -6.107 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.916 -6.644 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.384 -4.237 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.311 -4.331 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.496 -6.415 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.151 -7.808 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.805 -6.307 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.037 -3.111 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.698 -4.616 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.023 -4.521 2.733 1.00 0.00 H new ATOM 1087 N LYS A 82 0.123 -8.525 -1.668 1.00 0.00 N ATOM 1088 CA LYS A 82 0.375 -9.936 -1.936 1.00 0.00 C ATOM 1089 C LYS A 82 1.873 -10.218 -2.002 1.00 0.00 C ATOM 1090 O LYS A 82 2.690 -9.298 -1.959 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.292 -10.355 -3.248 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.760 -9.974 -3.333 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.542 -10.957 -4.187 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.736 -10.289 -4.852 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.944 -10.318 -3.982 1.00 0.00 N ATOM 0 H LYS A 82 0.547 -7.886 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.051 -10.517 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.242 -9.897 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.198 -11.435 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.187 -9.941 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.853 -8.972 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.888 -11.379 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.885 -11.786 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.486 -9.256 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.955 -10.791 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.793 -10.159 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.013 -11.244 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.871 -9.571 -3.262 1.00 0.00 H new ATOM 1109 N TYR A 83 2.226 -11.494 -2.107 1.00 0.00 N ATOM 1110 CA TYR A 83 3.625 -11.897 -2.178 1.00 0.00 C ATOM 1111 C TYR A 83 3.749 -13.379 -2.516 1.00 0.00 C ATOM 1112 O TYR A 83 3.514 -14.242 -1.672 1.00 0.00 O ATOM 1113 CB TYR A 83 4.330 -11.604 -0.852 1.00 0.00 C ATOM 1114 CG TYR A 83 5.839 -11.614 -0.953 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.532 -10.496 -1.401 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.571 -12.740 -0.599 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.910 -10.501 -1.496 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.949 -12.753 -0.689 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.614 -11.631 -1.138 1.00 0.00 C ATOM 1120 OH TYR A 83 9.987 -11.640 -1.230 1.00 0.00 O ATOM 0 H TYR A 83 1.562 -12.267 -2.145 1.00 0.00 H new ATOM 0 HA TYR A 83 4.102 -11.321 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.005 -10.630 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.019 -12.343 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.984 -9.608 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.054 -13.620 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.433 -9.624 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.503 -13.637 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 83 10.357 -12.239 -0.548 1.00 0.00 H new ATOM 1130 N GLY A 84 4.122 -13.666 -3.760 1.00 0.00 N ATOM 1131 CA GLY A 84 4.272 -15.044 -4.190 1.00 0.00 C ATOM 1132 C GLY A 84 3.036 -15.876 -3.913 1.00 0.00 C ATOM 1133 O GLY A 84 3.129 -16.984 -3.386 1.00 0.00 O ATOM 0 H GLY A 84 4.323 -12.969 -4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.489 -15.066 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.127 -15.489 -3.681 1.00 0.00 H new ATOM 1137 N GLY A 85 1.871 -15.339 -4.266 1.00 0.00 N ATOM 1138 CA GLY A 85 0.628 -16.052 -4.042 1.00 0.00 C ATOM 1139 C GLY A 85 -0.571 -15.319 -4.611 1.00 0.00 C ATOM 1140 O GLY A 85 -0.614 -14.089 -4.647 1.00 0.00 O ATOM 0 H GLY A 85 1.767 -14.423 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.694 -17.041 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.485 -16.200 -2.972 1.00 0.00 H new ATOM 1144 N PRO A 86 -1.574 -16.083 -5.070 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.797 -15.520 -5.649 1.00 0.00 C ATOM 1146 C PRO A 86 -3.669 -14.831 -4.605 1.00 0.00 C ATOM 1147 O PRO A 86 -4.652 -14.172 -4.942 1.00 0.00 O ATOM 1148 CB PRO A 86 -3.515 -16.745 -6.222 1.00 0.00 C ATOM 1149 CG PRO A 86 -3.013 -17.890 -5.413 1.00 0.00 C ATOM 1150 CD PRO A 86 -1.591 -17.556 -5.058 1.00 0.00 C ATOM 0 HA PRO A 86 -2.580 -14.751 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.597 -16.645 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.288 -16.878 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.617 -18.028 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.066 -18.820 -5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.317 -17.953 -4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.888 -17.972 -5.780 1.00 0.00 H new ATOM 1158 N GLN A 87 -3.302 -14.988 -3.337 1.00 0.00 N ATOM 1159 CA GLN A 87 -4.052 -14.381 -2.244 1.00 0.00 C ATOM 1160 C GLN A 87 -3.209 -13.338 -1.519 1.00 0.00 C ATOM 1161 O GLN A 87 -2.007 -13.219 -1.760 1.00 0.00 O ATOM 1162 CB GLN A 87 -4.516 -15.454 -1.258 1.00 0.00 C ATOM 1163 CG GLN A 87 -5.573 -16.387 -1.826 1.00 0.00 C ATOM 1164 CD GLN A 87 -6.456 -16.993 -0.753 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -7.511 -16.451 -0.421 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -6.028 -18.123 -0.203 1.00 0.00 N ATOM 0 H GLN A 87 -2.490 -15.530 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.925 -13.885 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.655 -16.043 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.913 -14.969 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.194 -15.838 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.085 -17.186 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.148 -18.537 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.580 -18.577 0.525 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.846 -12.583 -0.629 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.154 -11.549 0.131 1.00 0.00 C ATOM 1177 C HIS A 88 -2.304 -12.166 1.238 1.00 0.00 C ATOM 1178 O HIS A 88 -2.314 -13.381 1.437 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.161 -10.568 0.733 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.090 -9.968 -0.277 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.205 -8.609 -0.479 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.949 -10.550 -1.146 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.096 -8.381 -1.428 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.562 -9.543 -1.849 1.00 0.00 N ATOM 0 H HIS A 88 -4.840 -12.668 -0.417 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.497 -11.010 -0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.748 -11.083 1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.619 -9.768 1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.120 -11.610 -1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.393 -7.410 -1.796 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.264 -9.671 -2.578 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.569 -11.321 1.953 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.713 -11.784 3.039 1.00 0.00 C ATOM 1195 C ILE A 89 -1.405 -11.628 4.389 1.00 0.00 C ATOM 1196 O ILE A 89 -2.466 -11.011 4.487 1.00 0.00 O ATOM 1197 CB ILE A 89 0.623 -11.019 3.068 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.373 -9.516 3.210 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.428 -11.311 1.810 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.490 -8.782 3.918 1.00 0.00 C ATOM 0 H ILE A 89 -1.549 -10.313 1.800 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.514 -12.840 2.855 1.00 0.00 H new ATOM 0 HB ILE A 89 1.198 -11.355 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.236 -9.083 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.557 -9.361 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.370 -10.763 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.632 -12.380 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.859 -10.999 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.245 -7.722 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.613 -9.188 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.418 -8.906 3.360 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.796 -12.190 5.428 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.352 -12.110 6.774 1.00 0.00 C ATOM 1214 C VAL A 90 -1.625 -10.664 7.171 1.00 0.00 C ATOM 1215 O VAL A 90 -0.719 -9.939 7.580 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.405 -12.745 7.810 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.975 -12.112 7.732 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.983 -12.612 9.211 1.00 0.00 C ATOM 0 H VAL A 90 0.082 -12.705 5.364 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.291 -12.664 6.762 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.304 -13.806 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.629 -12.574 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.389 -12.264 6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.897 -11.044 7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.301 -13.066 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.115 -11.557 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.948 -13.118 9.256 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.883 -10.250 7.049 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.254 -8.892 7.399 1.00 0.00 C ATOM 1230 C GLY A 91 -4.070 -8.216 6.315 1.00 0.00 C ATOM 1231 O GLY A 91 -4.975 -7.433 6.607 1.00 0.00 O ATOM 0 H GLY A 91 -3.651 -10.831 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.826 -8.903 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.352 -8.309 7.587 1.00 0.00 H new ATOM 1235 N SER A 92 -3.749 -8.516 5.061 1.00 0.00 N ATOM 1236 CA SER A 92 -4.455 -7.927 3.929 1.00 0.00 C ATOM 1237 C SER A 92 -5.655 -8.782 3.533 1.00 0.00 C ATOM 1238 O SER A 92 -5.758 -9.956 3.889 1.00 0.00 O ATOM 1239 CB SER A 92 -3.510 -7.771 2.736 1.00 0.00 C ATOM 1240 OG SER A 92 -2.456 -8.717 2.794 1.00 0.00 O ATOM 0 H SER A 92 -3.004 -9.164 4.803 1.00 0.00 H new ATOM 0 HA SER A 92 -4.815 -6.943 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.067 -7.899 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.097 -6.762 2.724 1.00 0.00 H new ATOM 0 HG SER A 92 -1.775 -8.490 2.126 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.586 -8.180 2.778 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.474 -6.783 2.348 1.00 0.00 C ATOM 1248 C PRO A 93 -6.641 -5.805 3.506 1.00 0.00 C ATOM 1249 O PRO A 93 -7.466 -6.016 4.396 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.622 -6.627 1.347 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.616 -7.662 1.746 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.819 -8.817 2.285 1.00 0.00 C ATOM 0 HA PRO A 93 -5.492 -6.563 1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.053 -5.627 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.279 -6.781 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.301 -7.275 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.222 -7.970 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.351 -9.334 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.608 -9.556 1.512 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.854 -4.735 3.488 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.915 -3.724 4.538 1.00 0.00 C ATOM 1262 C PHE A 94 -6.862 -2.592 4.149 1.00 0.00 C ATOM 1263 O PHE A 94 -6.784 -2.054 3.044 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.519 -3.163 4.817 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.566 -4.179 5.379 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.508 -4.413 6.743 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.729 -4.900 4.543 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.632 -5.347 7.263 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.851 -5.836 5.057 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.803 -6.060 6.419 1.00 0.00 C ATOM 0 H PHE A 94 -5.167 -4.545 2.759 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.296 -4.198 5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.106 -2.762 3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.604 -2.331 5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.155 -3.859 7.408 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.763 -4.729 3.477 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.596 -5.519 8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.204 -6.391 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.119 -6.791 6.823 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.756 -2.236 5.065 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.719 -1.169 4.820 1.00 0.00 C ATOM 1282 C LYS A 95 -8.281 0.124 5.501 1.00 0.00 C ATOM 1283 O LYS A 95 -8.185 0.190 6.726 1.00 0.00 O ATOM 1284 CB LYS A 95 -10.105 -1.579 5.323 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.231 -0.728 4.761 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.572 -1.434 4.875 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.720 -2.522 3.823 1.00 0.00 C ATOM 1288 NZ LYS A 95 -14.148 -2.770 3.479 1.00 0.00 N ATOM 0 H LYS A 95 -7.834 -2.671 5.984 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.767 -0.996 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.284 -2.622 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.121 -1.516 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.272 0.222 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.027 -0.498 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.671 -1.871 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.377 -0.708 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.174 -2.235 2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.269 -3.444 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.207 -3.518 2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.664 -3.069 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.572 -1.897 3.106 1.00 0.00 H new ATOM 1302 N ALA A 96 -8.020 1.151 4.699 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.597 2.443 5.225 1.00 0.00 C ATOM 1304 C ALA A 96 -8.740 3.451 5.190 1.00 0.00 C ATOM 1305 O ALA A 96 -9.544 3.462 4.258 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.404 2.968 4.440 1.00 0.00 C ATOM 0 H ALA A 96 -8.094 1.113 3.682 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.301 2.304 6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.099 3.933 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.577 2.263 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.681 3.084 3.392 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.808 4.298 6.212 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.853 5.311 6.299 1.00 0.00 C ATOM 1314 C LYS A 97 -9.249 6.710 6.365 1.00 0.00 C ATOM 1315 O LYS A 97 -8.713 7.118 7.395 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.730 5.064 7.529 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.991 5.911 7.556 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.791 5.679 8.827 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.571 6.921 9.229 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.821 7.073 8.433 1.00 0.00 N ATOM 0 H LYS A 97 -8.151 4.303 6.992 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.468 5.241 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.009 4.011 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.147 5.266 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.724 6.965 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.608 5.675 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.480 4.848 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.118 5.394 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.820 6.866 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.945 7.803 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.324 7.931 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.583 7.151 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.430 6.243 8.582 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.342 7.442 5.259 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.808 8.797 5.192 1.00 0.00 C ATOM 1336 C VAL A 98 -9.847 9.820 5.635 1.00 0.00 C ATOM 1337 O VAL A 98 -11.016 9.741 5.254 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.336 9.145 3.767 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.811 10.571 3.712 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.276 8.158 3.302 1.00 0.00 C ATOM 0 H VAL A 98 -9.782 7.119 4.397 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.954 8.834 5.869 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.188 9.072 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.482 10.799 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.603 11.262 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.971 10.676 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.954 8.418 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.421 8.197 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.692 7.151 3.301 1.00 0.00 H new ATOM 1350 N THR A 99 -9.415 10.783 6.444 1.00 0.00 N ATOM 1351 CA THR A 99 -10.308 11.823 6.940 1.00 0.00 C ATOM 1352 C THR A 99 -9.901 13.194 6.413 1.00 0.00 C ATOM 1353 O THR A 99 -8.724 13.450 6.162 1.00 0.00 O ATOM 1354 CB THR A 99 -10.324 11.861 8.480 1.00 0.00 C ATOM 1355 OG1 THR A 99 -9.042 12.267 8.973 1.00 0.00 O ATOM 1356 CG2 THR A 99 -10.685 10.499 9.052 1.00 0.00 C ATOM 0 H THR A 99 -8.452 10.864 6.770 1.00 0.00 H new ATOM 0 HA THR A 99 -11.308 11.581 6.579 1.00 0.00 H new ATOM 0 HB THR A 99 -11.079 12.581 8.796 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.346 11.698 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.690 10.551 10.141 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.674 10.206 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.951 9.762 8.727 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.884 14.074 6.247 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.608 15.410 5.751 1.00 0.00 C ATOM 1366 C GLY A 100 -11.328 15.706 4.451 1.00 0.00 C ATOM 1367 O GLY A 100 -11.858 14.811 3.792 1.00 0.00 O ATOM 0 H GLY A 100 -11.866 13.886 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.905 16.142 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.534 15.524 5.602 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.356 16.990 4.065 1.00 0.00 N ATOM 1372 CA PRO A 101 -12.016 17.432 2.832 1.00 0.00 C ATOM 1373 C PRO A 101 -11.276 16.970 1.581 1.00 0.00 C ATOM 1374 O PRO A 101 -10.093 16.634 1.637 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.982 18.958 2.939 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.820 19.251 3.824 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.746 18.110 4.801 1.00 0.00 C ATOM 0 HA PRO A 101 -13.021 17.020 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.860 19.421 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.909 19.346 3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.899 19.330 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.954 20.201 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.717 17.891 5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.290 18.331 5.719 1.00 0.00 H new ATOM 1385 N ARG A 102 -11.980 16.955 0.454 1.00 0.00 N ATOM 1386 CA ARG A 102 -11.390 16.533 -0.810 1.00 0.00 C ATOM 1387 C ARG A 102 -10.208 17.423 -1.182 1.00 0.00 C ATOM 1388 O ARG A 102 -10.355 18.636 -1.338 1.00 0.00 O ATOM 1389 CB ARG A 102 -12.438 16.567 -1.923 1.00 0.00 C ATOM 1390 CG ARG A 102 -13.596 15.609 -1.699 1.00 0.00 C ATOM 1391 CD ARG A 102 -14.762 15.917 -2.626 1.00 0.00 C ATOM 1392 NE ARG A 102 -15.986 15.238 -2.210 1.00 0.00 N ATOM 1393 CZ ARG A 102 -17.177 15.472 -2.751 1.00 0.00 C ATOM 1394 NH1 ARG A 102 -17.303 16.363 -3.724 1.00 0.00 N ATOM 1395 NH2 ARG A 102 -18.244 14.813 -2.318 1.00 0.00 N ATOM 0 H ARG A 102 -12.960 17.230 0.391 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.030 15.511 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.828 17.581 -2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.957 16.326 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.260 14.585 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.927 15.673 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.934 16.993 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.507 15.615 -3.642 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.923 14.546 -1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.485 16.871 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.218 16.541 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.150 14.126 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -19.158 14.993 -2.734 1.00 0.00 H new ATOM 1409 N LEU A 103 -9.036 16.814 -1.323 1.00 0.00 N ATOM 1410 CA LEU A 103 -7.828 17.551 -1.676 1.00 0.00 C ATOM 1411 C LEU A 103 -7.168 16.953 -2.915 1.00 0.00 C ATOM 1412 O LEU A 103 -6.748 15.796 -2.910 1.00 0.00 O ATOM 1413 CB LEU A 103 -6.842 17.544 -0.507 1.00 0.00 C ATOM 1414 CG LEU A 103 -7.115 18.557 0.606 1.00 0.00 C ATOM 1415 CD1 LEU A 103 -6.393 18.154 1.883 1.00 0.00 C ATOM 1416 CD2 LEU A 103 -6.694 19.953 0.171 1.00 0.00 C ATOM 0 H LEU A 103 -8.897 15.811 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.112 18.580 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.835 16.546 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.842 17.726 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.186 18.568 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.599 18.886 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.742 17.173 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.320 18.114 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.895 20.661 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.628 19.957 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.256 20.243 -0.717 1.00 0.00 H new ATOM 1428 N SER A 104 -7.079 17.751 -3.975 1.00 0.00 N ATOM 1429 CA SER A 104 -6.471 17.301 -5.221 1.00 0.00 C ATOM 1430 C SER A 104 -4.966 17.549 -5.213 1.00 0.00 C ATOM 1431 O SER A 104 -4.509 18.650 -4.912 1.00 0.00 O ATOM 1432 CB SER A 104 -7.111 18.016 -6.413 1.00 0.00 C ATOM 1433 OG SER A 104 -8.351 17.424 -6.758 1.00 0.00 O ATOM 0 H SER A 104 -7.420 18.712 -3.995 1.00 0.00 H new ATOM 0 HA SER A 104 -6.644 16.229 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.262 19.068 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.436 17.979 -7.268 1.00 0.00 H new ATOM 0 HG SER A 104 -8.740 17.900 -7.521 1.00 0.00 H new ATOM 1439 N GLY A 105 -4.200 16.514 -5.547 1.00 0.00 N ATOM 1440 CA GLY A 105 -2.755 16.639 -5.572 1.00 0.00 C ATOM 1441 C GLY A 105 -2.173 16.366 -6.944 1.00 0.00 C ATOM 1442 O GLY A 105 -2.507 17.047 -7.914 1.00 0.00 O ATOM 0 H GLY A 105 -4.555 15.592 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.475 17.644 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.321 15.945 -4.852 1.00 0.00 H new ATOM 1446 N SER A 106 -1.298 15.369 -7.027 1.00 0.00 N ATOM 1447 CA SER A 106 -0.664 15.011 -8.291 1.00 0.00 C ATOM 1448 C SER A 106 -1.698 14.511 -9.295 1.00 0.00 C ATOM 1449 O SER A 106 -2.350 13.492 -9.077 1.00 0.00 O ATOM 1450 CB SER A 106 0.404 13.939 -8.064 1.00 0.00 C ATOM 1451 OG SER A 106 1.269 13.836 -9.182 1.00 0.00 O ATOM 0 H SER A 106 -1.012 14.795 -6.234 1.00 0.00 H new ATOM 0 HA SER A 106 -0.191 15.905 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.983 14.181 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.075 12.977 -7.881 1.00 0.00 H new ATOM 0 HG SER A 106 0.947 13.130 -9.781 1.00 0.00 H new ATOM 1457 N GLY A 107 -1.841 15.239 -10.399 1.00 0.00 N ATOM 1458 CA GLY A 107 -2.797 14.855 -11.421 1.00 0.00 C ATOM 1459 C GLY A 107 -2.997 15.938 -12.463 1.00 0.00 C ATOM 1460 O GLY A 107 -3.918 16.750 -12.376 1.00 0.00 O ATOM 0 H GLY A 107 -1.312 16.087 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.455 13.943 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.754 14.625 -10.952 1.00 0.00 H new ATOM 1464 N PRO A 108 -2.118 15.960 -13.476 1.00 0.00 N ATOM 1465 CA PRO A 108 -2.182 16.947 -14.558 1.00 0.00 C ATOM 1466 C PRO A 108 -3.381 16.727 -15.474 1.00 0.00 C ATOM 1467 O PRO A 108 -3.799 17.634 -16.193 1.00 0.00 O ATOM 1468 CB PRO A 108 -0.876 16.719 -15.323 1.00 0.00 C ATOM 1469 CG PRO A 108 -0.513 15.302 -15.041 1.00 0.00 C ATOM 1470 CD PRO A 108 -0.995 15.022 -13.644 1.00 0.00 C ATOM 0 HA PRO A 108 -2.298 17.962 -14.177 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.009 16.888 -16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.096 17.402 -14.986 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.982 14.629 -15.758 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.564 15.152 -15.120 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.316 13.987 -13.530 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.212 15.196 -12.906 1.00 0.00 H new ATOM 1478 N SER A 109 -3.930 15.517 -15.442 1.00 0.00 N ATOM 1479 CA SER A 109 -5.080 15.178 -16.272 1.00 0.00 C ATOM 1480 C SER A 109 -6.236 16.140 -16.019 1.00 0.00 C ATOM 1481 O SER A 109 -6.864 16.110 -14.960 1.00 0.00 O ATOM 1482 CB SER A 109 -5.528 13.741 -15.996 1.00 0.00 C ATOM 1483 OG SER A 109 -4.804 12.819 -16.792 1.00 0.00 O ATOM 0 H SER A 109 -3.597 14.755 -14.851 1.00 0.00 H new ATOM 0 HA SER A 109 -4.781 15.264 -17.317 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.383 13.508 -14.941 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.594 13.644 -16.200 1.00 0.00 H new ATOM 0 HG SER A 109 -5.108 11.908 -16.596 1.00 0.00 H new ATOM 1489 N SER A 110 -6.512 16.995 -16.999 1.00 0.00 N ATOM 1490 CA SER A 110 -7.589 17.971 -16.882 1.00 0.00 C ATOM 1491 C SER A 110 -7.640 18.558 -15.475 1.00 0.00 C ATOM 1492 O SER A 110 -8.710 18.681 -14.880 1.00 0.00 O ATOM 1493 CB SER A 110 -8.932 17.322 -17.225 1.00 0.00 C ATOM 1494 OG SER A 110 -9.144 17.298 -18.626 1.00 0.00 O ATOM 0 H SER A 110 -6.004 17.031 -17.883 1.00 0.00 H new ATOM 0 HA SER A 110 -7.393 18.779 -17.587 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.959 16.305 -16.833 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.739 17.872 -16.741 1.00 0.00 H new ATOM 0 HG SER A 110 -10.008 16.877 -18.819 1.00 0.00 H new ATOM 1500 N GLY A 111 -6.474 18.920 -14.949 1.00 0.00 N ATOM 1501 CA GLY A 111 -6.406 19.490 -13.616 1.00 0.00 C ATOM 1502 C GLY A 111 -7.097 18.626 -12.580 1.00 0.00 C ATOM 1503 O GLY A 111 -7.936 19.108 -11.820 1.00 0.00 O ATOM 0 H GLY A 111 -5.575 18.829 -15.422 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.362 19.624 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.864 20.479 -13.623 1.00 0.00 H new TER 1507 GLY A 111