USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 933 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 47 CYS SG : rot -151:sc= -0.42 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4.13! C(o=-6.1!,f=-12!) USER MOD Set 1.3: A 50 CYS SG : rot 130:sc= -1.54 USER MOD Set 2.1: A 28 ASN : amide:sc= -2.98 K(o=-3.8,f=-6.4!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.808 F(o=-6.5,f=-3.8) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 SER OG : rot 160:sc= 0 USER MOD Set 4.1: A 23 THR OG1 : rot -98:sc= 1.18 USER MOD Set 4.2: A 26 ASN : amide:sc= -0.171 K(o=1,f=-4.1!) 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -160:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 44:sc= -0.0719 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -145:sc= 0.959 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.69! X(o=-2.7!,f=-2.5) USER MOD Single : A 54 THR OG1 : rot 90:sc= 0.869 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0.344 (180deg=0.335) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= 1.2 (180deg=-0.487) USER MOD Single : A 69 LYS NZ :NH3+ -109:sc= -0.0898 (180deg=-0.479) USER MOD Single : A 74 ASN : amide:sc= -7.27! C(o=-7.3!,f=-18!) USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= 0.466 (180deg=0.0089) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.6! C(o=-8.1!,f=-6.6!) USER MOD Single : A 79 GLN : amide:sc=-0.00496 X(o=-0.005,f=-0.38) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 59:sc= 1.32 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -3:sc= -1.12 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -3.06 F(o=-4!,f=-3.1) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= 0.468 (180deg=-0.295) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -23:sc= 0.738 USER MOD Single : A 107 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.23) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.711 -1.368 -15.387 1.00 0.00 N ATOM 2 CA GLY A 1 -10.071 -0.939 -15.114 1.00 0.00 C ATOM 3 C GLY A 1 -10.423 0.356 -15.819 1.00 0.00 C ATOM 4 O GLY A 1 -9.676 1.331 -15.749 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.520 -2.257 -14.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.593 -1.518 -16.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.045 -0.637 -15.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.765 -1.720 -15.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.199 -0.811 -14.039 1.00 0.00 H new ATOM 8 N SER A 2 -11.564 0.365 -16.501 1.00 0.00 N ATOM 9 CA SER A 2 -12.011 1.548 -17.226 1.00 0.00 C ATOM 10 C SER A 2 -13.125 2.263 -16.467 1.00 0.00 C ATOM 11 O SER A 2 -14.304 1.957 -16.640 1.00 0.00 O ATOM 12 CB SER A 2 -12.499 1.162 -18.624 1.00 0.00 C ATOM 13 OG SER A 2 -11.428 0.697 -19.427 1.00 0.00 O ATOM 0 H SER A 2 -12.195 -0.434 -16.566 1.00 0.00 H new ATOM 0 HA SER A 2 -11.164 2.227 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.262 0.387 -18.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.967 2.024 -19.100 1.00 0.00 H new ATOM 0 HG SER A 2 -11.766 0.455 -20.315 1.00 0.00 H new ATOM 19 N SER A 3 -12.740 3.216 -15.624 1.00 0.00 N ATOM 20 CA SER A 3 -13.704 3.973 -14.834 1.00 0.00 C ATOM 21 C SER A 3 -13.220 5.401 -14.607 1.00 0.00 C ATOM 22 O SER A 3 -12.018 5.664 -14.578 1.00 0.00 O ATOM 23 CB SER A 3 -13.946 3.284 -13.489 1.00 0.00 C ATOM 24 OG SER A 3 -15.091 3.813 -12.843 1.00 0.00 O ATOM 0 H SER A 3 -11.767 3.482 -15.471 1.00 0.00 H new ATOM 0 HA SER A 3 -14.641 4.010 -15.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.074 2.213 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.073 3.411 -12.849 1.00 0.00 H new ATOM 0 HG SER A 3 -15.225 3.355 -11.987 1.00 0.00 H new ATOM 30 N GLY A 4 -14.165 6.322 -14.447 1.00 0.00 N ATOM 31 CA GLY A 4 -13.816 7.713 -14.225 1.00 0.00 C ATOM 32 C GLY A 4 -13.888 8.539 -15.494 1.00 0.00 C ATOM 33 O GLY A 4 -14.810 9.334 -15.674 1.00 0.00 O ATOM 0 H GLY A 4 -15.166 6.130 -14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.488 8.138 -13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.808 7.770 -13.815 1.00 0.00 H new ATOM 37 N SER A 5 -12.911 8.352 -16.376 1.00 0.00 N ATOM 38 CA SER A 5 -12.864 9.090 -17.632 1.00 0.00 C ATOM 39 C SER A 5 -12.845 10.594 -17.379 1.00 0.00 C ATOM 40 O SER A 5 -13.530 11.358 -18.058 1.00 0.00 O ATOM 41 CB SER A 5 -14.065 8.724 -18.508 1.00 0.00 C ATOM 42 OG SER A 5 -13.849 7.496 -19.182 1.00 0.00 O ATOM 0 H SER A 5 -12.142 7.696 -16.243 1.00 0.00 H new ATOM 0 HA SER A 5 -11.946 8.815 -18.152 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.961 8.651 -17.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.243 9.516 -19.236 1.00 0.00 H new ATOM 0 HG SER A 5 -14.631 7.284 -19.733 1.00 0.00 H new ATOM 48 N SER A 6 -12.055 11.012 -16.395 1.00 0.00 N ATOM 49 CA SER A 6 -11.948 12.424 -16.047 1.00 0.00 C ATOM 50 C SER A 6 -10.848 13.101 -16.858 1.00 0.00 C ATOM 51 O SER A 6 -10.058 12.438 -17.529 1.00 0.00 O ATOM 52 CB SER A 6 -11.667 12.583 -14.552 1.00 0.00 C ATOM 53 OG SER A 6 -10.364 12.130 -14.227 1.00 0.00 O ATOM 0 H SER A 6 -11.479 10.393 -15.825 1.00 0.00 H new ATOM 0 HA SER A 6 -12.898 12.904 -16.283 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.773 13.630 -14.268 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.404 12.021 -13.978 1.00 0.00 H new ATOM 0 HG SER A 6 -10.313 11.941 -13.267 1.00 0.00 H new ATOM 59 N GLY A 7 -10.803 14.429 -16.791 1.00 0.00 N ATOM 60 CA GLY A 7 -9.796 15.175 -17.523 1.00 0.00 C ATOM 61 C GLY A 7 -8.424 15.076 -16.886 1.00 0.00 C ATOM 62 O GLY A 7 -7.468 14.632 -17.522 1.00 0.00 O ATOM 0 H GLY A 7 -11.446 15.001 -16.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.746 14.804 -18.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.093 16.222 -17.578 1.00 0.00 H new ATOM 66 N ALA A 8 -8.326 15.493 -15.628 1.00 0.00 N ATOM 67 CA ALA A 8 -7.061 15.450 -14.906 1.00 0.00 C ATOM 68 C ALA A 8 -7.265 14.980 -13.469 1.00 0.00 C ATOM 69 O ALA A 8 -8.355 15.111 -12.912 1.00 0.00 O ATOM 70 CB ALA A 8 -6.394 16.817 -14.926 1.00 0.00 C ATOM 0 H ALA A 8 -9.108 15.864 -15.088 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.410 14.733 -15.407 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.450 16.769 -14.383 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.204 17.114 -15.957 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.049 17.548 -14.452 1.00 0.00 H new ATOM 76 N VAL A 9 -6.210 14.431 -12.875 1.00 0.00 N ATOM 77 CA VAL A 9 -6.274 13.942 -11.503 1.00 0.00 C ATOM 78 C VAL A 9 -4.975 14.225 -10.758 1.00 0.00 C ATOM 79 O VAL A 9 -3.956 14.551 -11.367 1.00 0.00 O ATOM 80 CB VAL A 9 -6.559 12.429 -11.460 1.00 0.00 C ATOM 81 CG1 VAL A 9 -7.844 12.106 -12.206 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.387 11.650 -12.037 1.00 0.00 C ATOM 0 H VAL A 9 -5.301 14.314 -13.323 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.092 14.472 -11.015 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.687 12.130 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.029 11.033 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.677 12.636 -11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.749 12.418 -13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.605 10.583 -11.999 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.225 11.950 -13.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.490 11.858 -11.454 1.00 0.00 H new ATOM 92 N SER A 10 -5.018 14.098 -9.435 1.00 0.00 N ATOM 93 CA SER A 10 -3.844 14.344 -8.605 1.00 0.00 C ATOM 94 C SER A 10 -3.175 13.031 -8.208 1.00 0.00 C ATOM 95 O SER A 10 -3.813 11.980 -8.181 1.00 0.00 O ATOM 96 CB SER A 10 -4.235 15.130 -7.352 1.00 0.00 C ATOM 97 OG SER A 10 -5.184 14.417 -6.579 1.00 0.00 O ATOM 0 H SER A 10 -5.853 13.826 -8.915 1.00 0.00 H new ATOM 0 HA SER A 10 -3.134 14.932 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.347 15.328 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.648 16.097 -7.639 1.00 0.00 H new ATOM 0 HG SER A 10 -5.416 14.939 -5.783 1.00 0.00 H new ATOM 103 N GLY A 11 -1.883 13.102 -7.901 1.00 0.00 N ATOM 104 CA GLY A 11 -1.148 11.913 -7.510 1.00 0.00 C ATOM 105 C GLY A 11 0.352 12.096 -7.624 1.00 0.00 C ATOM 106 O GLY A 11 0.865 12.426 -8.694 1.00 0.00 O ATOM 0 H GLY A 11 -1.333 13.961 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.402 11.654 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.458 11.076 -8.136 1.00 0.00 H new ATOM 110 N LEU A 12 1.058 11.883 -6.519 1.00 0.00 N ATOM 111 CA LEU A 12 2.510 12.028 -6.499 1.00 0.00 C ATOM 112 C LEU A 12 3.168 11.049 -7.466 1.00 0.00 C ATOM 113 O LEU A 12 4.033 11.428 -8.256 1.00 0.00 O ATOM 114 CB LEU A 12 3.045 11.802 -5.084 1.00 0.00 C ATOM 115 CG LEU A 12 2.337 12.572 -3.968 1.00 0.00 C ATOM 116 CD1 LEU A 12 2.792 12.074 -2.605 1.00 0.00 C ATOM 117 CD2 LEU A 12 2.594 14.066 -4.105 1.00 0.00 C ATOM 0 H LEU A 12 0.649 11.609 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 12 2.754 13.042 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.983 10.737 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.101 12.070 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 12 1.265 12.398 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.278 12.633 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.557 11.014 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.868 12.217 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.083 14.598 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.665 14.258 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.218 14.413 -5.068 1.00 0.00 H new ATOM 129 N TYR A 13 2.752 9.789 -7.399 1.00 0.00 N ATOM 130 CA TYR A 13 3.301 8.756 -8.268 1.00 0.00 C ATOM 131 C TYR A 13 2.721 8.863 -9.675 1.00 0.00 C ATOM 132 O TYR A 13 1.583 9.294 -9.859 1.00 0.00 O ATOM 133 CB TYR A 13 3.015 7.369 -7.691 1.00 0.00 C ATOM 134 CG TYR A 13 3.655 7.131 -6.342 1.00 0.00 C ATOM 135 CD1 TYR A 13 3.102 7.663 -5.184 1.00 0.00 C ATOM 136 CD2 TYR A 13 4.814 6.372 -6.226 1.00 0.00 C ATOM 137 CE1 TYR A 13 3.685 7.449 -3.950 1.00 0.00 C ATOM 138 CE2 TYR A 13 5.402 6.151 -4.996 1.00 0.00 C ATOM 139 CZ TYR A 13 4.835 6.692 -3.861 1.00 0.00 C ATOM 140 OH TYR A 13 5.417 6.474 -2.634 1.00 0.00 O ATOM 0 H TYR A 13 2.036 9.459 -6.752 1.00 0.00 H new ATOM 0 HA TYR A 13 4.380 8.902 -8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.937 7.238 -7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.371 6.613 -8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.201 8.254 -5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.262 5.948 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.243 7.872 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.301 5.557 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 13 4.723 6.259 -1.976 1.00 0.00 H new ATOM 150 N SER A 14 3.512 8.465 -10.667 1.00 0.00 N ATOM 151 CA SER A 14 3.080 8.518 -12.058 1.00 0.00 C ATOM 152 C SER A 14 3.040 7.121 -12.668 1.00 0.00 C ATOM 153 O SER A 14 3.480 6.150 -12.053 1.00 0.00 O ATOM 154 CB SER A 14 4.016 9.415 -12.871 1.00 0.00 C ATOM 155 OG SER A 14 3.933 10.763 -12.440 1.00 0.00 O ATOM 0 H SER A 14 4.456 8.102 -10.532 1.00 0.00 H new ATOM 0 HA SER A 14 2.074 8.936 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.042 9.061 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.758 9.351 -13.928 1.00 0.00 H new ATOM 0 HG SER A 14 4.542 11.315 -12.974 1.00 0.00 H new ATOM 161 N SER A 15 2.507 7.027 -13.883 1.00 0.00 N ATOM 162 CA SER A 15 2.405 5.748 -14.576 1.00 0.00 C ATOM 163 C SER A 15 3.765 5.309 -15.109 1.00 0.00 C ATOM 164 O SER A 15 4.041 4.115 -15.230 1.00 0.00 O ATOM 165 CB SER A 15 1.401 5.847 -15.727 1.00 0.00 C ATOM 166 OG SER A 15 0.070 5.744 -15.252 1.00 0.00 O ATOM 0 H SER A 15 2.139 7.821 -14.407 1.00 0.00 H new ATOM 0 HA SER A 15 2.056 5.002 -13.862 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.532 6.795 -16.248 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.594 5.056 -16.452 1.00 0.00 H new ATOM 0 HG SER A 15 -0.553 5.812 -16.006 1.00 0.00 H new ATOM 172 N SER A 16 4.612 6.283 -15.426 1.00 0.00 N ATOM 173 CA SER A 16 5.943 5.998 -15.950 1.00 0.00 C ATOM 174 C SER A 16 6.728 5.113 -14.987 1.00 0.00 C ATOM 175 O SER A 16 7.299 4.098 -15.385 1.00 0.00 O ATOM 176 CB SER A 16 6.705 7.301 -16.201 1.00 0.00 C ATOM 177 OG SER A 16 7.983 7.046 -16.757 1.00 0.00 O ATOM 0 H SER A 16 4.400 7.276 -15.329 1.00 0.00 H new ATOM 0 HA SER A 16 5.829 5.465 -16.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.132 7.937 -16.876 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.815 7.848 -15.264 1.00 0.00 H new ATOM 0 HG SER A 16 8.449 7.895 -16.909 1.00 0.00 H new ATOM 183 N ASP A 17 6.753 5.507 -13.718 1.00 0.00 N ATOM 184 CA ASP A 17 7.467 4.751 -12.697 1.00 0.00 C ATOM 185 C ASP A 17 7.035 3.287 -12.703 1.00 0.00 C ATOM 186 O ASP A 17 6.213 2.876 -13.523 1.00 0.00 O ATOM 187 CB ASP A 17 7.222 5.361 -11.316 1.00 0.00 C ATOM 188 CG ASP A 17 7.024 6.863 -11.374 1.00 0.00 C ATOM 189 OD1 ASP A 17 8.029 7.588 -11.523 1.00 0.00 O ATOM 190 OD2 ASP A 17 5.864 7.313 -11.268 1.00 0.00 O ATOM 0 H ASP A 17 6.287 6.346 -13.373 1.00 0.00 H new ATOM 0 HA ASP A 17 8.532 4.798 -12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.342 4.898 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.067 5.134 -10.666 1.00 0.00 H new ATOM 195 N ASP A 18 7.595 2.507 -11.785 1.00 0.00 N ATOM 196 CA ASP A 18 7.268 1.089 -11.685 1.00 0.00 C ATOM 197 C ASP A 18 6.058 0.873 -10.781 1.00 0.00 C ATOM 198 O ASP A 18 5.440 -0.191 -10.797 1.00 0.00 O ATOM 199 CB ASP A 18 8.467 0.304 -11.151 1.00 0.00 C ATOM 200 CG ASP A 18 9.705 0.485 -12.006 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.152 1.640 -12.166 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.227 -0.529 -12.517 1.00 0.00 O ATOM 0 H ASP A 18 8.277 2.832 -11.100 1.00 0.00 H new ATOM 0 HA ASP A 18 7.022 0.726 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.683 0.625 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.213 -0.755 -11.105 1.00 0.00 H new ATOM 207 N VAL A 19 5.727 1.890 -9.991 1.00 0.00 N ATOM 208 CA VAL A 19 4.592 1.811 -9.079 1.00 0.00 C ATOM 209 C VAL A 19 3.274 1.784 -9.845 1.00 0.00 C ATOM 210 O VAL A 19 3.047 2.600 -10.739 1.00 0.00 O ATOM 211 CB VAL A 19 4.578 2.997 -8.096 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.351 2.934 -7.200 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.853 3.015 -7.267 1.00 0.00 C ATOM 0 H VAL A 19 6.229 2.778 -9.964 1.00 0.00 H new ATOM 0 HA VAL A 19 4.701 0.884 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 19 4.531 3.922 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.359 3.780 -6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.451 2.973 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.363 2.004 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.827 3.859 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.932 2.087 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.715 3.112 -7.927 1.00 0.00 H new ATOM 223 N ILE A 20 2.408 0.842 -9.487 1.00 0.00 N ATOM 224 CA ILE A 20 1.111 0.710 -10.140 1.00 0.00 C ATOM 225 C ILE A 20 0.055 1.559 -9.439 1.00 0.00 C ATOM 226 O ILE A 20 -0.203 1.388 -8.248 1.00 0.00 O ATOM 227 CB ILE A 20 0.640 -0.756 -10.166 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.566 -1.595 -11.049 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.796 -0.843 -10.662 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.410 -3.086 -10.843 1.00 0.00 C ATOM 0 H ILE A 20 2.581 0.159 -8.749 1.00 0.00 H new ATOM 0 HA ILE A 20 1.236 1.061 -11.164 1.00 0.00 H new ATOM 0 HB ILE A 20 0.677 -1.153 -9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.370 -1.358 -12.095 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.600 -1.315 -10.847 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.114 -1.885 -10.675 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.446 -0.273 -9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.858 -0.432 -11.670 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.097 -3.618 -11.501 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.635 -3.335 -9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.386 -3.380 -11.073 1.00 0.00 H new ATOM 242 N GLU A 21 -0.555 2.472 -10.188 1.00 0.00 N ATOM 243 CA GLU A 21 -1.584 3.347 -9.639 1.00 0.00 C ATOM 244 C GLU A 21 -2.831 2.550 -9.264 1.00 0.00 C ATOM 245 O GLU A 21 -3.680 2.269 -10.111 1.00 0.00 O ATOM 246 CB GLU A 21 -1.948 4.439 -10.646 1.00 0.00 C ATOM 247 CG GLU A 21 -2.590 5.662 -10.013 1.00 0.00 C ATOM 248 CD GLU A 21 -3.552 5.303 -8.897 1.00 0.00 C ATOM 249 OE1 GLU A 21 -3.096 4.741 -7.879 1.00 0.00 O ATOM 250 OE2 GLU A 21 -4.760 5.584 -9.041 1.00 0.00 O ATOM 0 H GLU A 21 -0.354 2.625 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.185 3.813 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.047 4.746 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.630 4.024 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.811 6.315 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.122 6.226 -10.779 1.00 0.00 H new ATOM 257 N LEU A 22 -2.934 2.190 -7.990 1.00 0.00 N ATOM 258 CA LEU A 22 -4.076 1.425 -7.501 1.00 0.00 C ATOM 259 C LEU A 22 -5.264 2.340 -7.219 1.00 0.00 C ATOM 260 O LEU A 22 -5.113 3.404 -6.617 1.00 0.00 O ATOM 261 CB LEU A 22 -3.697 0.658 -6.233 1.00 0.00 C ATOM 262 CG LEU A 22 -2.793 -0.560 -6.430 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.413 -1.165 -5.088 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.478 -1.595 -7.310 1.00 0.00 C ATOM 0 H LEU A 22 -2.241 2.415 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.364 0.714 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.200 1.347 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.614 0.330 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.880 -0.235 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.770 -2.030 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.882 -0.423 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.315 -1.476 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.821 -2.455 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.407 -1.916 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.698 -1.157 -8.283 1.00 0.00 H new ATOM 276 N THR A 23 -6.446 1.918 -7.656 1.00 0.00 N ATOM 277 CA THR A 23 -7.660 2.699 -7.451 1.00 0.00 C ATOM 278 C THR A 23 -8.791 1.826 -6.918 1.00 0.00 C ATOM 279 O THR A 23 -8.763 0.600 -7.021 1.00 0.00 O ATOM 280 CB THR A 23 -8.120 3.376 -8.755 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.043 2.528 -9.448 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.932 3.683 -9.654 1.00 0.00 C ATOM 0 H THR A 23 -6.589 1.040 -8.154 1.00 0.00 H new ATOM 0 HA THR A 23 -7.421 3.468 -6.717 1.00 0.00 H new ATOM 0 HB THR A 23 -8.612 4.314 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.570 2.033 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.282 4.161 -10.569 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.246 4.352 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.415 2.756 -9.904 1.00 0.00 H new ATOM 290 N PRO A 24 -9.812 2.471 -6.333 1.00 0.00 N ATOM 291 CA PRO A 24 -10.972 1.773 -5.774 1.00 0.00 C ATOM 292 C PRO A 24 -11.853 1.154 -6.854 1.00 0.00 C ATOM 293 O PRO A 24 -13.011 0.816 -6.606 1.00 0.00 O ATOM 294 CB PRO A 24 -11.730 2.879 -5.035 1.00 0.00 C ATOM 295 CG PRO A 24 -11.332 4.137 -5.726 1.00 0.00 C ATOM 296 CD PRO A 24 -9.911 3.932 -6.175 1.00 0.00 C ATOM 0 HA PRO A 24 -10.677 0.940 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.808 2.723 -5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.462 2.905 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.984 4.339 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.410 4.992 -5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.706 4.452 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.199 4.306 -5.439 1.00 0.00 H new ATOM 304 N SER A 25 -11.297 1.008 -8.052 1.00 0.00 N ATOM 305 CA SER A 25 -12.034 0.433 -9.172 1.00 0.00 C ATOM 306 C SER A 25 -11.331 -0.813 -9.702 1.00 0.00 C ATOM 307 O SER A 25 -11.950 -1.666 -10.336 1.00 0.00 O ATOM 308 CB SER A 25 -12.186 1.463 -10.293 1.00 0.00 C ATOM 309 OG SER A 25 -13.372 2.221 -10.132 1.00 0.00 O ATOM 0 H SER A 25 -10.339 1.280 -8.273 1.00 0.00 H new ATOM 0 HA SER A 25 -13.023 0.147 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.323 2.129 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.203 0.955 -11.257 1.00 0.00 H new ATOM 0 HG SER A 25 -13.298 3.056 -10.640 1.00 0.00 H new ATOM 315 N ASN A 26 -10.032 -0.910 -9.436 1.00 0.00 N ATOM 316 CA ASN A 26 -9.243 -2.051 -9.886 1.00 0.00 C ATOM 317 C ASN A 26 -8.505 -2.697 -8.718 1.00 0.00 C ATOM 318 O ASN A 26 -7.999 -3.814 -8.830 1.00 0.00 O ATOM 319 CB ASN A 26 -8.242 -1.614 -10.958 1.00 0.00 C ATOM 320 CG ASN A 26 -7.730 -0.205 -10.731 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.415 0.773 -11.034 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.521 -0.094 -10.195 1.00 0.00 N ATOM 0 H ASN A 26 -9.504 -0.213 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.925 -2.787 -10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.400 -2.306 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.715 -1.672 -11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.124 0.829 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.989 -0.932 -9.960 1.00 0.00 H new ATOM 329 N PHE A 27 -8.448 -1.987 -7.596 1.00 0.00 N ATOM 330 CA PHE A 27 -7.772 -2.491 -6.406 1.00 0.00 C ATOM 331 C PHE A 27 -8.032 -3.983 -6.223 1.00 0.00 C ATOM 332 O PHE A 27 -7.219 -4.699 -5.641 1.00 0.00 O ATOM 333 CB PHE A 27 -8.238 -1.725 -5.166 1.00 0.00 C ATOM 334 CG PHE A 27 -7.439 -2.037 -3.933 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.536 -3.278 -3.325 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.591 -1.089 -3.383 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.802 -3.569 -2.190 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.855 -1.374 -2.249 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.961 -2.615 -1.651 1.00 0.00 C ATOM 0 H PHE A 27 -8.862 -1.061 -7.486 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.700 -2.340 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.179 -0.655 -5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.286 -1.957 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.193 -4.027 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.505 -0.117 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.886 -4.540 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.197 -0.627 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.387 -2.839 -0.764 1.00 0.00 H new ATOM 349 N ASN A 28 -9.173 -4.444 -6.725 1.00 0.00 N ATOM 350 CA ASN A 28 -9.543 -5.851 -6.616 1.00 0.00 C ATOM 351 C ASN A 28 -8.996 -6.649 -7.796 1.00 0.00 C ATOM 352 O ASN A 28 -8.500 -7.764 -7.628 1.00 0.00 O ATOM 353 CB ASN A 28 -11.064 -5.997 -6.548 1.00 0.00 C ATOM 354 CG ASN A 28 -11.492 -7.348 -6.007 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.763 -7.494 -4.815 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.554 -8.343 -6.884 1.00 0.00 N ATOM 0 H ASN A 28 -9.857 -3.864 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.106 -6.246 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.474 -5.209 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.484 -5.858 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.835 -9.275 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.320 -8.176 -7.863 1.00 0.00 H new ATOM 363 N ARG A 29 -9.091 -6.071 -8.989 1.00 0.00 N ATOM 364 CA ARG A 29 -8.607 -6.729 -10.197 1.00 0.00 C ATOM 365 C ARG A 29 -7.094 -6.578 -10.329 1.00 0.00 C ATOM 366 O ARG A 29 -6.480 -7.155 -11.225 1.00 0.00 O ATOM 367 CB ARG A 29 -9.298 -6.147 -11.431 1.00 0.00 C ATOM 368 CG ARG A 29 -10.612 -6.830 -11.773 1.00 0.00 C ATOM 369 CD ARG A 29 -11.701 -6.474 -10.772 1.00 0.00 C ATOM 370 NE ARG A 29 -13.030 -6.503 -11.377 1.00 0.00 N ATOM 371 CZ ARG A 29 -14.139 -6.162 -10.730 1.00 0.00 C ATOM 372 NH1 ARG A 29 -14.078 -5.769 -9.465 1.00 0.00 N ATOM 373 NH2 ARG A 29 -15.312 -6.214 -11.348 1.00 0.00 N ATOM 0 H ARG A 29 -9.498 -5.149 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.844 -7.790 -10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.482 -5.085 -11.267 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.625 -6.225 -12.285 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.926 -6.536 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.469 -7.910 -11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.668 -7.173 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.509 -5.481 -10.365 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.111 -6.801 -12.349 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.178 -5.728 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.931 -5.508 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.363 -6.516 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.163 -5.952 -10.850 1.00 0.00 H new ATOM 387 N GLU A 30 -6.501 -5.799 -9.430 1.00 0.00 N ATOM 388 CA GLU A 30 -5.061 -5.573 -9.447 1.00 0.00 C ATOM 389 C GLU A 30 -4.380 -6.306 -8.295 1.00 0.00 C ATOM 390 O GLU A 30 -3.350 -6.953 -8.478 1.00 0.00 O ATOM 391 CB GLU A 30 -4.757 -4.075 -9.364 1.00 0.00 C ATOM 392 CG GLU A 30 -4.654 -3.399 -10.721 1.00 0.00 C ATOM 393 CD GLU A 30 -3.338 -3.685 -11.417 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.373 -4.073 -10.725 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.272 -3.520 -12.653 1.00 0.00 O ATOM 0 H GLU A 30 -6.995 -5.314 -8.681 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.669 -5.965 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.538 -3.586 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.821 -3.932 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.476 -3.735 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.768 -2.322 -10.596 1.00 0.00 H new ATOM 402 N VAL A 31 -4.965 -6.198 -7.106 1.00 0.00 N ATOM 403 CA VAL A 31 -4.416 -6.851 -5.923 1.00 0.00 C ATOM 404 C VAL A 31 -5.215 -8.098 -5.563 1.00 0.00 C ATOM 405 O VAL A 31 -4.700 -9.215 -5.620 1.00 0.00 O ATOM 406 CB VAL A 31 -4.401 -5.898 -4.713 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.836 -6.600 -3.487 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.604 -4.643 -5.034 1.00 0.00 C ATOM 0 H VAL A 31 -5.818 -5.665 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.392 -7.136 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.427 -5.603 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.833 -5.911 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.453 -7.466 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.816 -6.926 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.604 -3.981 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.578 -4.917 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.058 -4.131 -5.882 1.00 0.00 H new ATOM 418 N ILE A 32 -6.476 -7.901 -5.194 1.00 0.00 N ATOM 419 CA ILE A 32 -7.347 -9.010 -4.826 1.00 0.00 C ATOM 420 C ILE A 32 -7.305 -10.114 -5.878 1.00 0.00 C ATOM 421 O ILE A 32 -7.427 -11.295 -5.557 1.00 0.00 O ATOM 422 CB ILE A 32 -8.804 -8.546 -4.644 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.874 -7.397 -3.636 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.678 -9.707 -4.193 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.427 -7.787 -2.244 1.00 0.00 C ATOM 0 H ILE A 32 -6.918 -6.983 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.977 -9.400 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.178 -8.187 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.253 -6.574 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.898 -7.027 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.705 -9.363 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.649 -10.497 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.308 -10.094 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.503 -6.924 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.063 -8.589 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.393 -8.129 -2.277 1.00 0.00 H new ATOM 437 N GLN A 33 -7.130 -9.719 -7.135 1.00 0.00 N ATOM 438 CA GLN A 33 -7.070 -10.675 -8.234 1.00 0.00 C ATOM 439 C GLN A 33 -5.625 -11.015 -8.582 1.00 0.00 C ATOM 440 O GLN A 33 -5.305 -11.306 -9.735 1.00 0.00 O ATOM 441 CB GLN A 33 -7.786 -10.115 -9.465 1.00 0.00 C ATOM 442 CG GLN A 33 -9.300 -10.102 -9.334 1.00 0.00 C ATOM 443 CD GLN A 33 -9.820 -11.217 -8.449 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.215 -10.870 -7.229 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.865 -12.378 -8.855 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.027 -8.744 -7.417 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.572 -11.589 -7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.437 -9.099 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.510 -10.708 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.617 -9.142 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.747 -10.191 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.551 -12.600 -9.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.216 -13.118 -8.247 1.00 0.00 H new ATOM 454 N SER A 34 -4.754 -10.975 -7.579 1.00 0.00 N ATOM 455 CA SER A 34 -3.341 -11.275 -7.780 1.00 0.00 C ATOM 456 C SER A 34 -2.829 -12.226 -6.702 1.00 0.00 C ATOM 457 O SER A 34 -2.339 -11.792 -5.659 1.00 0.00 O ATOM 458 CB SER A 34 -2.519 -9.985 -7.771 1.00 0.00 C ATOM 459 OG SER A 34 -1.148 -10.253 -8.009 1.00 0.00 O ATOM 0 H SER A 34 -5.002 -10.738 -6.618 1.00 0.00 H new ATOM 0 HA SER A 34 -3.232 -11.761 -8.750 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.897 -9.304 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.633 -9.484 -6.810 1.00 0.00 H new ATOM 0 HG SER A 34 -0.598 -9.629 -7.491 1.00 0.00 H new ATOM 465 N ASP A 35 -2.945 -13.523 -6.962 1.00 0.00 N ATOM 466 CA ASP A 35 -2.493 -14.536 -6.016 1.00 0.00 C ATOM 467 C ASP A 35 -1.131 -14.169 -5.436 1.00 0.00 C ATOM 468 O ASP A 35 -0.835 -14.472 -4.281 1.00 0.00 O ATOM 469 CB ASP A 35 -2.420 -15.904 -6.697 1.00 0.00 C ATOM 470 CG ASP A 35 -3.717 -16.679 -6.580 1.00 0.00 C ATOM 471 OD1 ASP A 35 -4.128 -16.979 -5.439 1.00 0.00 O ATOM 472 OD2 ASP A 35 -4.321 -16.988 -7.628 1.00 0.00 O ATOM 0 H ASP A 35 -3.348 -13.898 -7.820 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.214 -14.583 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.174 -15.769 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.612 -16.485 -6.253 1.00 0.00 H new ATOM 477 N GLY A 36 -0.305 -13.516 -6.247 1.00 0.00 N ATOM 478 CA GLY A 36 1.017 -13.119 -5.798 1.00 0.00 C ATOM 479 C GLY A 36 0.967 -12.151 -4.633 1.00 0.00 C ATOM 480 O GLY A 36 -0.050 -12.047 -3.945 1.00 0.00 O ATOM 0 H GLY A 36 -0.528 -13.255 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.580 -14.006 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.556 -12.658 -6.626 1.00 0.00 H new ATOM 484 N LEU A 37 2.067 -11.440 -4.409 1.00 0.00 N ATOM 485 CA LEU A 37 2.145 -10.475 -3.317 1.00 0.00 C ATOM 486 C LEU A 37 1.928 -9.055 -3.829 1.00 0.00 C ATOM 487 O LEU A 37 2.372 -8.705 -4.923 1.00 0.00 O ATOM 488 CB LEU A 37 3.501 -10.576 -2.617 1.00 0.00 C ATOM 489 CG LEU A 37 3.512 -10.250 -1.124 1.00 0.00 C ATOM 490 CD1 LEU A 37 2.907 -11.393 -0.323 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.929 -9.958 -0.652 1.00 0.00 C ATOM 0 H LEU A 37 2.917 -11.513 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 37 1.356 -10.708 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.881 -11.589 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.198 -9.905 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 37 2.905 -9.359 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.924 -11.143 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.877 -11.555 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.486 -12.301 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.917 -9.728 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.558 -10.830 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.328 -9.106 -1.203 1.00 0.00 H new ATOM 503 N TRP A 38 1.246 -8.242 -3.031 1.00 0.00 N ATOM 504 CA TRP A 38 0.973 -6.858 -3.403 1.00 0.00 C ATOM 505 C TRP A 38 1.299 -5.911 -2.254 1.00 0.00 C ATOM 506 O TRP A 38 0.853 -6.113 -1.124 1.00 0.00 O ATOM 507 CB TRP A 38 -0.492 -6.698 -3.812 1.00 0.00 C ATOM 508 CG TRP A 38 -0.703 -6.740 -5.295 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.952 -7.846 -6.057 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.681 -5.627 -6.196 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.086 -7.488 -7.376 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.926 -6.132 -7.488 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.482 -4.253 -6.036 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.974 -5.311 -8.611 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.529 -3.439 -7.152 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.774 -3.970 -8.426 1.00 0.00 C ATOM 0 H TRP A 38 0.872 -8.516 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 38 1.610 -6.603 -4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.080 -7.489 -3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.868 -5.751 -3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.032 -8.854 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.274 -8.128 -8.148 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.295 -3.835 -5.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.162 -5.718 -9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.374 -2.376 -7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.806 -3.308 -9.278 1.00 0.00 H new ATOM 527 N LEU A 39 2.079 -4.877 -2.548 1.00 0.00 N ATOM 528 CA LEU A 39 2.465 -3.897 -1.538 1.00 0.00 C ATOM 529 C LEU A 39 1.787 -2.555 -1.795 1.00 0.00 C ATOM 530 O LEU A 39 2.216 -1.785 -2.655 1.00 0.00 O ATOM 531 CB LEU A 39 3.984 -3.720 -1.526 1.00 0.00 C ATOM 532 CG LEU A 39 4.757 -4.619 -0.560 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.249 -4.555 -0.848 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.473 -4.222 0.881 1.00 0.00 C ATOM 0 H LEU A 39 2.457 -4.695 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 39 2.141 -4.267 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.358 -3.897 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.207 -2.681 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 39 4.424 -5.647 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.782 -5.201 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.437 -4.889 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.598 -3.529 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.031 -4.872 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.777 -3.188 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.406 -4.321 1.082 1.00 0.00 H new ATOM 546 N VAL A 40 0.727 -2.280 -1.041 1.00 0.00 N ATOM 547 CA VAL A 40 -0.008 -1.029 -1.184 1.00 0.00 C ATOM 548 C VAL A 40 0.379 -0.036 -0.094 1.00 0.00 C ATOM 549 O VAL A 40 0.399 -0.376 1.089 1.00 0.00 O ATOM 550 CB VAL A 40 -1.529 -1.263 -1.134 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.276 0.060 -1.208 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.962 -2.193 -2.257 1.00 0.00 C ATOM 0 H VAL A 40 0.358 -2.907 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 40 0.257 -0.616 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.775 -1.738 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.349 -0.126 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.987 0.688 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.027 0.567 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.040 -2.347 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.704 -1.748 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.453 -3.151 -2.153 1.00 0.00 H new ATOM 562 N GLU A 41 0.684 1.192 -0.500 1.00 0.00 N ATOM 563 CA GLU A 41 1.071 2.234 0.444 1.00 0.00 C ATOM 564 C GLU A 41 0.110 3.418 0.371 1.00 0.00 C ATOM 565 O GLU A 41 -0.014 4.068 -0.668 1.00 0.00 O ATOM 566 CB GLU A 41 2.499 2.705 0.161 1.00 0.00 C ATOM 567 CG GLU A 41 2.838 4.041 0.801 1.00 0.00 C ATOM 568 CD GLU A 41 4.014 4.726 0.133 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.142 4.197 0.229 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.807 5.790 -0.486 1.00 0.00 O ATOM 0 H GLU A 41 0.671 1.490 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 41 1.027 1.813 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.199 1.951 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.640 2.782 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.967 4.694 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.063 3.887 1.856 1.00 0.00 H new ATOM 577 N PHE A 42 -0.567 3.691 1.481 1.00 0.00 N ATOM 578 CA PHE A 42 -1.518 4.795 1.543 1.00 0.00 C ATOM 579 C PHE A 42 -0.814 6.100 1.902 1.00 0.00 C ATOM 580 O PHE A 42 -0.514 6.357 3.068 1.00 0.00 O ATOM 581 CB PHE A 42 -2.613 4.495 2.569 1.00 0.00 C ATOM 582 CG PHE A 42 -3.409 3.262 2.253 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.949 2.009 2.626 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.618 3.354 1.581 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.680 0.872 2.337 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.353 2.221 1.289 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.882 0.978 1.667 1.00 0.00 C ATOM 0 H PHE A 42 -0.475 3.164 2.349 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.972 4.906 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.157 4.381 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.288 5.349 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.008 1.920 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.990 4.323 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.311 -0.098 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.294 2.307 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.454 0.091 1.438 1.00 0.00 H new ATOM 597 N TYR A 43 -0.552 6.921 0.890 1.00 0.00 N ATOM 598 CA TYR A 43 0.120 8.198 1.097 1.00 0.00 C ATOM 599 C TYR A 43 -0.840 9.362 0.870 1.00 0.00 C ATOM 600 O TYR A 43 -1.993 9.164 0.489 1.00 0.00 O ATOM 601 CB TYR A 43 1.322 8.324 0.159 1.00 0.00 C ATOM 602 CG TYR A 43 0.942 8.602 -1.278 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.552 9.874 -1.680 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.972 7.593 -2.233 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.204 10.132 -2.992 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.626 7.843 -3.547 1.00 0.00 C ATOM 607 CZ TYR A 43 0.243 9.114 -3.921 1.00 0.00 C ATOM 608 OH TYR A 43 -0.104 9.367 -5.229 1.00 0.00 O ATOM 0 H TYR A 43 -0.795 6.725 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 43 0.468 8.233 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.969 9.125 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.903 7.403 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.520 10.674 -0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.271 6.596 -1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.097 11.126 -3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.655 7.048 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.022 8.544 -5.754 1.00 0.00 H new ATOM 618 N ALA A 44 -0.354 10.576 1.108 1.00 0.00 N ATOM 619 CA ALA A 44 -1.167 11.773 0.927 1.00 0.00 C ATOM 620 C ALA A 44 -0.388 12.860 0.194 1.00 0.00 C ATOM 621 O ALA A 44 0.673 13.302 0.635 1.00 0.00 O ATOM 622 CB ALA A 44 -1.655 12.287 2.274 1.00 0.00 C ATOM 0 H ALA A 44 0.598 10.757 1.426 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.030 11.508 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.261 13.181 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.256 11.519 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.798 12.530 2.903 1.00 0.00 H new ATOM 628 N PRO A 45 -0.925 13.301 -0.953 1.00 0.00 N ATOM 629 CA PRO A 45 -0.296 14.342 -1.772 1.00 0.00 C ATOM 630 C PRO A 45 -0.347 15.713 -1.106 1.00 0.00 C ATOM 631 O PRO A 45 0.026 16.720 -1.708 1.00 0.00 O ATOM 632 CB PRO A 45 -1.133 14.339 -3.054 1.00 0.00 C ATOM 633 CG PRO A 45 -2.462 13.808 -2.637 1.00 0.00 C ATOM 634 CD PRO A 45 -2.187 12.819 -1.539 1.00 0.00 C ATOM 0 HA PRO A 45 0.763 14.146 -1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.221 15.342 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.679 13.712 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.110 14.611 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.971 13.330 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.991 12.802 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.088 11.805 -1.927 1.00 0.00 H new ATOM 642 N TRP A 46 -0.811 15.744 0.138 1.00 0.00 N ATOM 643 CA TRP A 46 -0.909 16.993 0.885 1.00 0.00 C ATOM 644 C TRP A 46 -0.020 16.958 2.123 1.00 0.00 C ATOM 645 O TRP A 46 0.308 18.000 2.692 1.00 0.00 O ATOM 646 CB TRP A 46 -2.361 17.254 1.291 1.00 0.00 C ATOM 647 CG TRP A 46 -2.959 16.146 2.104 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.915 15.258 1.701 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.642 15.810 3.459 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.211 14.390 2.724 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.444 14.707 3.813 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.759 16.333 4.408 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.387 14.120 5.075 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.704 15.749 5.659 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.513 14.652 5.983 1.00 0.00 C ATOM 0 H TRP A 46 -1.125 14.920 0.650 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.568 17.802 0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.410 18.181 1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.961 17.401 0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.371 15.241 0.722 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.892 13.632 2.679 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.131 17.178 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.011 13.275 5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.026 16.145 6.400 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.445 14.218 6.969 1.00 0.00 H new ATOM 666 N CYS A 47 0.366 15.756 2.535 1.00 0.00 N ATOM 667 CA CYS A 47 1.217 15.586 3.707 1.00 0.00 C ATOM 668 C CYS A 47 2.675 15.877 3.366 1.00 0.00 C ATOM 669 O CYS A 47 2.997 16.257 2.242 1.00 0.00 O ATOM 670 CB CYS A 47 1.083 14.167 4.260 1.00 0.00 C ATOM 671 SG CYS A 47 1.227 14.058 6.059 1.00 0.00 S ATOM 0 H CYS A 47 0.103 14.884 2.075 1.00 0.00 H new ATOM 0 HA CYS A 47 0.892 16.296 4.468 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.117 13.761 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.849 13.538 3.806 1.00 0.00 H new ATOM 0 HG CYS A 47 1.707 12.895 6.386 1.00 0.00 H new ATOM 677 N GLY A 48 3.555 15.697 4.348 1.00 0.00 N ATOM 678 CA GLY A 48 4.968 15.946 4.133 1.00 0.00 C ATOM 679 C GLY A 48 5.779 14.667 4.068 1.00 0.00 C ATOM 680 O GLY A 48 6.306 14.309 3.014 1.00 0.00 O ATOM 0 H GLY A 48 3.313 15.383 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.099 16.503 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.350 16.574 4.938 1.00 0.00 H new ATOM 684 N HIS A 49 5.882 13.976 5.199 1.00 0.00 N ATOM 685 CA HIS A 49 6.637 12.730 5.267 1.00 0.00 C ATOM 686 C HIS A 49 6.199 11.769 4.166 1.00 0.00 C ATOM 687 O HIS A 49 6.909 10.817 3.841 1.00 0.00 O ATOM 688 CB HIS A 49 6.455 12.073 6.636 1.00 0.00 C ATOM 689 CG HIS A 49 5.070 12.215 7.189 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.813 12.647 8.474 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.862 11.982 6.624 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.508 12.671 8.675 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.908 12.273 7.568 1.00 0.00 N ATOM 0 H HIS A 49 5.452 14.258 6.080 1.00 0.00 H new ATOM 0 HA HIS A 49 7.692 12.964 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.699 11.014 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.164 12.512 7.338 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.520 12.907 9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.682 11.632 5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.015 12.966 9.590 1.00 0.00 H new ATOM 702 N CYS A 50 5.025 12.023 3.598 1.00 0.00 N ATOM 703 CA CYS A 50 4.492 11.180 2.534 1.00 0.00 C ATOM 704 C CYS A 50 5.063 11.586 1.180 1.00 0.00 C ATOM 705 O CYS A 50 5.499 10.739 0.401 1.00 0.00 O ATOM 706 CB CYS A 50 2.965 11.266 2.504 1.00 0.00 C ATOM 707 SG CYS A 50 2.153 10.451 3.899 1.00 0.00 S ATOM 0 H CYS A 50 4.424 12.806 3.857 1.00 0.00 H new ATOM 0 HA CYS A 50 4.787 10.151 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.671 12.315 2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.605 10.821 1.577 1.00 0.00 H new ATOM 0 HG CYS A 50 1.292 11.264 4.435 1.00 0.00 H new ATOM 713 N GLN A 51 5.055 12.887 0.906 1.00 0.00 N ATOM 714 CA GLN A 51 5.570 13.405 -0.356 1.00 0.00 C ATOM 715 C GLN A 51 7.033 13.017 -0.547 1.00 0.00 C ATOM 716 O GLN A 51 7.537 12.993 -1.670 1.00 0.00 O ATOM 717 CB GLN A 51 5.423 14.926 -0.405 1.00 0.00 C ATOM 718 CG GLN A 51 3.978 15.396 -0.465 1.00 0.00 C ATOM 719 CD GLN A 51 3.846 16.898 -0.304 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.809 17.641 -0.493 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.649 17.353 0.046 1.00 0.00 N ATOM 0 H GLN A 51 4.698 13.601 1.541 1.00 0.00 H new ATOM 0 HA GLN A 51 4.988 12.965 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.900 15.357 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.957 15.306 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.542 15.097 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.405 14.899 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.878 16.701 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.500 18.355 0.168 1.00 0.00 H new ATOM 730 N ARG A 52 7.708 12.715 0.557 1.00 0.00 N ATOM 731 CA ARG A 52 9.114 12.330 0.511 1.00 0.00 C ATOM 732 C ARG A 52 9.259 10.818 0.363 1.00 0.00 C ATOM 733 O ARG A 52 10.344 10.313 0.074 1.00 0.00 O ATOM 734 CB ARG A 52 9.835 12.801 1.775 1.00 0.00 C ATOM 735 CG ARG A 52 9.530 11.956 3.001 1.00 0.00 C ATOM 736 CD ARG A 52 10.697 11.947 3.976 1.00 0.00 C ATOM 737 NE ARG A 52 10.493 10.996 5.065 1.00 0.00 N ATOM 738 CZ ARG A 52 11.481 10.495 5.798 1.00 0.00 C ATOM 739 NH1 ARG A 52 12.735 10.853 5.560 1.00 0.00 N ATOM 740 NH2 ARG A 52 11.215 9.634 6.772 1.00 0.00 N ATOM 0 H ARG A 52 7.305 12.729 1.494 1.00 0.00 H new ATOM 0 HA ARG A 52 9.568 12.808 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.910 12.790 1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.556 13.835 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.641 12.343 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.304 10.935 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.613 11.696 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.832 12.947 4.388 1.00 0.00 H new ATOM 0 HE ARG A 52 9.540 10.700 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.943 11.515 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.492 10.467 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.251 9.356 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.974 9.250 7.334 1.00 0.00 H new ATOM 754 N LEU A 53 8.159 10.101 0.564 1.00 0.00 N ATOM 755 CA LEU A 53 8.163 8.646 0.453 1.00 0.00 C ATOM 756 C LEU A 53 7.901 8.209 -0.984 1.00 0.00 C ATOM 757 O LEU A 53 7.768 7.018 -1.268 1.00 0.00 O ATOM 758 CB LEU A 53 7.109 8.042 1.382 1.00 0.00 C ATOM 759 CG LEU A 53 7.144 6.521 1.538 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.473 6.076 2.130 1.00 0.00 C ATOM 761 CD2 LEU A 53 5.987 6.046 2.405 1.00 0.00 C ATOM 0 H LEU A 53 7.253 10.503 0.805 1.00 0.00 H new ATOM 0 HA LEU A 53 9.148 8.286 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.223 8.491 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.123 8.327 1.014 1.00 0.00 H new ATOM 0 HG LEU A 53 7.040 6.072 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.480 4.991 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.286 6.383 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.607 6.535 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.028 4.961 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.060 6.504 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.043 6.332 1.941 1.00 0.00 H new ATOM 773 N THR A 54 7.830 9.180 -1.890 1.00 0.00 N ATOM 774 CA THR A 54 7.585 8.895 -3.298 1.00 0.00 C ATOM 775 C THR A 54 8.729 8.089 -3.903 1.00 0.00 C ATOM 776 O THR A 54 8.523 7.055 -4.539 1.00 0.00 O ATOM 777 CB THR A 54 7.401 10.192 -4.109 1.00 0.00 C ATOM 778 OG1 THR A 54 6.920 11.238 -3.258 1.00 0.00 O ATOM 779 CG2 THR A 54 6.428 9.977 -5.258 1.00 0.00 C ATOM 0 H THR A 54 7.939 10.171 -1.673 1.00 0.00 H new ATOM 0 HA THR A 54 6.666 8.310 -3.347 1.00 0.00 H new ATOM 0 HB THR A 54 8.369 10.477 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.680 11.715 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.314 10.906 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.812 9.201 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.460 9.670 -4.862 1.00 0.00 H new ATOM 787 N PRO A 55 9.965 8.569 -3.700 1.00 0.00 N ATOM 788 CA PRO A 55 11.166 7.907 -4.217 1.00 0.00 C ATOM 789 C PRO A 55 11.455 6.591 -3.503 1.00 0.00 C ATOM 790 O PRO A 55 11.643 5.556 -4.142 1.00 0.00 O ATOM 791 CB PRO A 55 12.278 8.922 -3.938 1.00 0.00 C ATOM 792 CG PRO A 55 11.778 9.726 -2.789 1.00 0.00 C ATOM 793 CD PRO A 55 10.284 9.796 -2.951 1.00 0.00 C ATOM 0 HA PRO A 55 11.065 7.643 -5.270 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.216 8.424 -3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.468 9.551 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.046 9.260 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.218 10.723 -2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.776 9.822 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.980 10.690 -3.496 1.00 0.00 H new ATOM 801 N GLU A 56 11.489 6.638 -2.175 1.00 0.00 N ATOM 802 CA GLU A 56 11.755 5.449 -1.375 1.00 0.00 C ATOM 803 C GLU A 56 10.840 4.299 -1.788 1.00 0.00 C ATOM 804 O GLU A 56 11.276 3.154 -1.898 1.00 0.00 O ATOM 805 CB GLU A 56 11.569 5.754 0.113 1.00 0.00 C ATOM 806 CG GLU A 56 12.672 6.619 0.699 1.00 0.00 C ATOM 807 CD GLU A 56 12.337 8.097 0.661 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.320 8.490 1.270 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.091 8.861 0.023 1.00 0.00 O ATOM 0 H GLU A 56 11.336 7.487 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 56 12.788 5.150 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.611 6.255 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.523 4.815 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.855 6.318 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.596 6.446 0.148 1.00 0.00 H new ATOM 816 N TRP A 57 9.570 4.615 -2.013 1.00 0.00 N ATOM 817 CA TRP A 57 8.592 3.609 -2.413 1.00 0.00 C ATOM 818 C TRP A 57 8.824 3.167 -3.854 1.00 0.00 C ATOM 819 O TRP A 57 8.905 1.973 -4.142 1.00 0.00 O ATOM 820 CB TRP A 57 7.173 4.157 -2.257 1.00 0.00 C ATOM 821 CG TRP A 57 6.120 3.090 -2.263 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.048 3.001 -3.104 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.038 1.962 -1.385 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.305 1.885 -2.802 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.892 1.231 -1.752 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.823 1.497 -0.326 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.512 0.063 -1.096 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.445 0.338 0.325 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.299 -0.369 -0.062 1.00 0.00 C ATOM 0 H TRP A 57 9.193 5.559 -1.926 1.00 0.00 H new ATOM 0 HA TRP A 57 8.713 2.742 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.108 4.716 -1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.972 4.860 -3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.818 3.704 -3.891 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.454 1.592 -3.282 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.709 2.034 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.628 -0.483 -1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.043 -0.029 1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.031 -1.272 0.466 1.00 0.00 H new ATOM 840 N LYS A 58 8.930 4.137 -4.756 1.00 0.00 N ATOM 841 CA LYS A 58 9.154 3.848 -6.167 1.00 0.00 C ATOM 842 C LYS A 58 10.330 2.894 -6.348 1.00 0.00 C ATOM 843 O LYS A 58 10.244 1.920 -7.096 1.00 0.00 O ATOM 844 CB LYS A 58 9.413 5.144 -6.939 1.00 0.00 C ATOM 845 CG LYS A 58 8.144 5.878 -7.338 1.00 0.00 C ATOM 846 CD LYS A 58 8.446 7.062 -8.242 1.00 0.00 C ATOM 847 CE LYS A 58 7.328 8.093 -8.201 1.00 0.00 C ATOM 848 NZ LYS A 58 7.647 9.290 -9.027 1.00 0.00 N ATOM 0 H LYS A 58 8.864 5.130 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 58 8.257 3.370 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.028 5.805 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.987 4.914 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.471 5.191 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.626 6.225 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.383 7.527 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.584 6.714 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.403 7.640 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.154 8.399 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.840 9.946 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.486 9.766 -8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.838 8.995 -10.006 1.00 0.00 H new ATOM 862 N LYS A 59 11.429 3.178 -5.656 1.00 0.00 N ATOM 863 CA LYS A 59 12.622 2.344 -5.737 1.00 0.00 C ATOM 864 C LYS A 59 12.274 0.874 -5.525 1.00 0.00 C ATOM 865 O LYS A 59 12.598 0.024 -6.354 1.00 0.00 O ATOM 866 CB LYS A 59 13.652 2.790 -4.697 1.00 0.00 C ATOM 867 CG LYS A 59 14.582 3.884 -5.192 1.00 0.00 C ATOM 868 CD LYS A 59 15.667 4.197 -4.175 1.00 0.00 C ATOM 869 CE LYS A 59 15.090 4.847 -2.927 1.00 0.00 C ATOM 870 NZ LYS A 59 16.149 5.181 -1.935 1.00 0.00 N ATOM 0 H LYS A 59 11.518 3.980 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 59 13.048 2.458 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.129 3.144 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.247 1.928 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.041 3.575 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.006 4.786 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.186 3.279 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.407 4.860 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.554 5.754 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.364 4.175 -2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.715 5.622 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.644 4.312 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.828 5.843 -2.362 1.00 0.00 H new ATOM 884 N ALA A 60 11.610 0.583 -4.411 1.00 0.00 N ATOM 885 CA ALA A 60 11.215 -0.784 -4.093 1.00 0.00 C ATOM 886 C ALA A 60 10.367 -1.384 -5.210 1.00 0.00 C ATOM 887 O ALA A 60 10.465 -2.575 -5.505 1.00 0.00 O ATOM 888 CB ALA A 60 10.457 -0.821 -2.774 1.00 0.00 C ATOM 0 H ALA A 60 11.334 1.275 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 60 12.120 -1.385 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.168 -1.848 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.095 -0.441 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.564 -0.201 -2.850 1.00 0.00 H new ATOM 894 N ALA A 61 9.534 -0.552 -5.826 1.00 0.00 N ATOM 895 CA ALA A 61 8.670 -1.001 -6.911 1.00 0.00 C ATOM 896 C ALA A 61 9.489 -1.453 -8.115 1.00 0.00 C ATOM 897 O ALA A 61 9.148 -2.432 -8.780 1.00 0.00 O ATOM 898 CB ALA A 61 7.707 0.108 -7.312 1.00 0.00 C ATOM 0 H ALA A 61 9.439 0.436 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 61 8.095 -1.856 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.068 -0.241 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.090 0.382 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.273 0.978 -7.645 1.00 0.00 H new ATOM 904 N THR A 62 10.573 -0.734 -8.391 1.00 0.00 N ATOM 905 CA THR A 62 11.440 -1.060 -9.516 1.00 0.00 C ATOM 906 C THR A 62 12.107 -2.418 -9.321 1.00 0.00 C ATOM 907 O THR A 62 12.167 -3.229 -10.244 1.00 0.00 O ATOM 908 CB THR A 62 12.530 0.010 -9.714 1.00 0.00 C ATOM 909 OG1 THR A 62 11.933 1.309 -9.789 1.00 0.00 O ATOM 910 CG2 THR A 62 13.330 -0.260 -10.979 1.00 0.00 C ATOM 0 H THR A 62 10.871 0.078 -7.850 1.00 0.00 H new ATOM 0 HA THR A 62 10.807 -1.092 -10.403 1.00 0.00 H new ATOM 0 HB THR A 62 13.206 -0.030 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.633 1.984 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.094 0.509 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.807 -1.237 -10.906 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.663 -0.245 -11.841 1.00 0.00 H new ATOM 918 N ALA A 63 12.606 -2.658 -8.113 1.00 0.00 N ATOM 919 CA ALA A 63 13.265 -3.919 -7.796 1.00 0.00 C ATOM 920 C ALA A 63 12.252 -5.052 -7.668 1.00 0.00 C ATOM 921 O ALA A 63 12.474 -6.156 -8.165 1.00 0.00 O ATOM 922 CB ALA A 63 14.074 -3.784 -6.514 1.00 0.00 C ATOM 0 H ALA A 63 12.566 -1.996 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 63 13.941 -4.163 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.561 -4.733 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.830 -3.009 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.411 -3.513 -5.692 1.00 0.00 H new ATOM 928 N LEU A 64 11.140 -4.771 -6.997 1.00 0.00 N ATOM 929 CA LEU A 64 10.092 -5.767 -6.802 1.00 0.00 C ATOM 930 C LEU A 64 9.104 -5.753 -7.965 1.00 0.00 C ATOM 931 O LEU A 64 8.064 -6.410 -7.918 1.00 0.00 O ATOM 932 CB LEU A 64 9.354 -5.509 -5.488 1.00 0.00 C ATOM 933 CG LEU A 64 10.233 -5.233 -4.267 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.441 -4.506 -3.192 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.810 -6.531 -3.721 1.00 0.00 C ATOM 0 H LEU A 64 10.941 -3.862 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 64 10.562 -6.750 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.687 -4.659 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.727 -6.374 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 64 11.059 -4.593 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.083 -4.318 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.077 -3.557 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.594 -5.120 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.433 -6.316 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.997 -7.196 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.414 -7.013 -4.490 1.00 0.00 H new ATOM 947 N LYS A 65 9.438 -5.000 -9.008 1.00 0.00 N ATOM 948 CA LYS A 65 8.583 -4.902 -10.185 1.00 0.00 C ATOM 949 C LYS A 65 8.243 -6.286 -10.728 1.00 0.00 C ATOM 950 O LYS A 65 7.089 -6.573 -11.045 1.00 0.00 O ATOM 951 CB LYS A 65 9.269 -4.071 -11.271 1.00 0.00 C ATOM 952 CG LYS A 65 8.778 -4.379 -12.675 1.00 0.00 C ATOM 953 CD LYS A 65 9.615 -3.671 -13.727 1.00 0.00 C ATOM 954 CE LYS A 65 10.831 -4.495 -14.120 1.00 0.00 C ATOM 955 NZ LYS A 65 10.542 -5.398 -15.268 1.00 0.00 N ATOM 0 H LYS A 65 10.295 -4.449 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 65 7.656 -4.410 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.108 -3.013 -11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.344 -4.245 -11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.812 -5.455 -12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.736 -4.074 -12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.005 -3.478 -14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.938 -2.703 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.653 -3.828 -14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.160 -5.087 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.931 -6.343 -15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.513 -5.468 -15.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.980 -5.015 -16.130 1.00 0.00 H new ATOM 969 N ASP A 66 9.255 -7.141 -10.832 1.00 0.00 N ATOM 970 CA ASP A 66 9.063 -8.496 -11.334 1.00 0.00 C ATOM 971 C ASP A 66 9.030 -9.501 -10.187 1.00 0.00 C ATOM 972 O ASP A 66 9.222 -10.700 -10.392 1.00 0.00 O ATOM 973 CB ASP A 66 10.177 -8.861 -12.316 1.00 0.00 C ATOM 974 CG ASP A 66 9.973 -8.235 -13.682 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.806 -7.988 -14.052 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.979 -7.993 -14.381 1.00 0.00 O ATOM 0 H ASP A 66 10.217 -6.919 -10.575 1.00 0.00 H new ATOM 0 HA ASP A 66 8.105 -8.533 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.135 -8.537 -11.910 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.225 -9.945 -12.420 1.00 0.00 H new ATOM 981 N VAL A 67 8.787 -9.004 -8.978 1.00 0.00 N ATOM 982 CA VAL A 67 8.728 -9.858 -7.798 1.00 0.00 C ATOM 983 C VAL A 67 7.446 -9.619 -7.009 1.00 0.00 C ATOM 984 O VAL A 67 6.627 -10.523 -6.845 1.00 0.00 O ATOM 985 CB VAL A 67 9.938 -9.622 -6.874 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.259 -10.881 -6.082 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.144 -9.168 -7.682 1.00 0.00 C ATOM 0 H VAL A 67 8.628 -8.014 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 67 8.746 -10.889 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 67 9.685 -8.832 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.116 -10.695 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.398 -11.157 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.493 -11.694 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.990 -9.006 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.401 -9.934 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.907 -8.238 -8.199 1.00 0.00 H new ATOM 997 N VAL A 68 7.278 -8.394 -6.521 1.00 0.00 N ATOM 998 CA VAL A 68 6.094 -8.034 -5.750 1.00 0.00 C ATOM 999 C VAL A 68 5.420 -6.793 -6.325 1.00 0.00 C ATOM 1000 O VAL A 68 6.032 -5.730 -6.423 1.00 0.00 O ATOM 1001 CB VAL A 68 6.443 -7.777 -4.272 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.202 -7.367 -3.493 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.087 -9.009 -3.655 1.00 0.00 C ATOM 0 H VAL A 68 7.947 -7.634 -6.646 1.00 0.00 H new ATOM 0 HA VAL A 68 5.408 -8.878 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 68 7.160 -6.957 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.469 -7.190 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.788 -6.454 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.459 -8.163 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.327 -8.810 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.395 -9.849 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.001 -9.252 -4.197 1.00 0.00 H new ATOM 1013 N LYS A 69 4.154 -6.936 -6.703 1.00 0.00 N ATOM 1014 CA LYS A 69 3.394 -5.827 -7.267 1.00 0.00 C ATOM 1015 C LYS A 69 3.269 -4.686 -6.262 1.00 0.00 C ATOM 1016 O LYS A 69 2.427 -4.726 -5.365 1.00 0.00 O ATOM 1017 CB LYS A 69 2.002 -6.300 -7.694 1.00 0.00 C ATOM 1018 CG LYS A 69 2.000 -7.093 -8.989 1.00 0.00 C ATOM 1019 CD LYS A 69 2.172 -6.188 -10.197 1.00 0.00 C ATOM 1020 CE LYS A 69 2.908 -6.897 -11.324 1.00 0.00 C ATOM 1021 NZ LYS A 69 4.340 -7.131 -10.989 1.00 0.00 N ATOM 0 H LYS A 69 3.633 -7.810 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 69 3.930 -5.460 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.577 -6.915 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.352 -5.433 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.804 -7.829 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.064 -7.645 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.194 -5.860 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.723 -5.293 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.423 -7.851 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.840 -6.301 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.938 -6.506 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.498 -6.929 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.585 -8.122 -11.186 1.00 0.00 H new ATOM 1035 N VAL A 70 4.111 -3.670 -6.419 1.00 0.00 N ATOM 1036 CA VAL A 70 4.093 -2.517 -5.527 1.00 0.00 C ATOM 1037 C VAL A 70 3.257 -1.384 -6.111 1.00 0.00 C ATOM 1038 O VAL A 70 3.693 -0.682 -7.022 1.00 0.00 O ATOM 1039 CB VAL A 70 5.516 -1.999 -5.249 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.473 -0.767 -4.359 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.367 -3.093 -4.620 1.00 0.00 C ATOM 0 H VAL A 70 4.815 -3.622 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 70 3.646 -2.849 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 70 5.972 -1.715 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.488 -0.416 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.902 0.019 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.998 -1.019 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.370 -2.710 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.915 -3.410 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.426 -3.944 -5.299 1.00 0.00 H new ATOM 1051 N GLY A 71 2.051 -1.210 -5.578 1.00 0.00 N ATOM 1052 CA GLY A 71 1.172 -0.160 -6.059 1.00 0.00 C ATOM 1053 C GLY A 71 1.244 1.092 -5.206 1.00 0.00 C ATOM 1054 O GLY A 71 2.239 1.328 -4.522 1.00 0.00 O ATOM 0 H GLY A 71 1.667 -1.777 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.436 0.089 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.146 -0.528 -6.074 1.00 0.00 H new ATOM 1058 N ALA A 72 0.187 1.896 -5.248 1.00 0.00 N ATOM 1059 CA ALA A 72 0.135 3.130 -4.474 1.00 0.00 C ATOM 1060 C ALA A 72 -1.264 3.737 -4.501 1.00 0.00 C ATOM 1061 O ALA A 72 -1.782 4.080 -5.564 1.00 0.00 O ATOM 1062 CB ALA A 72 1.155 4.128 -5.000 1.00 0.00 C ATOM 0 H ALA A 72 -0.645 1.715 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 72 0.379 2.890 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.104 5.044 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.155 3.702 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.938 4.354 -6.044 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.872 3.865 -3.326 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.211 4.431 -3.216 1.00 0.00 C ATOM 1070 C VAL A 73 -3.188 5.753 -2.457 1.00 0.00 C ATOM 1071 O VAL A 73 -2.720 5.820 -1.321 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.174 3.461 -2.507 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.322 4.223 -1.862 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.697 2.419 -3.485 1.00 0.00 C ATOM 0 H VAL A 73 -1.458 3.584 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.566 4.605 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.626 2.944 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.992 3.521 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.926 4.926 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.872 4.769 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.376 1.742 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.229 2.916 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.861 1.852 -3.894 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.699 6.803 -3.092 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.737 8.124 -2.476 1.00 0.00 C ATOM 1086 C ASN A 74 -4.800 8.184 -1.383 1.00 0.00 C ATOM 1087 O ASN A 74 -5.958 8.509 -1.646 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.016 9.195 -3.533 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.178 10.576 -2.929 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.967 10.771 -1.732 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.554 11.544 -3.757 1.00 0.00 N ATOM 0 H ASN A 74 -4.092 6.765 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.764 8.314 -2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.199 9.211 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.921 8.933 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.679 12.494 -3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.718 11.337 -4.742 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.398 7.869 -0.156 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.315 7.890 0.977 1.00 0.00 C ATOM 1100 C ALA A 75 -6.215 9.120 0.932 1.00 0.00 C ATOM 1101 O ALA A 75 -7.407 9.040 1.229 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.538 7.849 2.284 1.00 0.00 C ATOM 0 H ALA A 75 -3.444 7.596 0.079 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.950 7.006 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.235 7.865 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.942 6.937 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.879 8.715 2.343 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.637 10.257 0.561 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.388 11.505 0.477 1.00 0.00 C ATOM 1110 C ASP A 76 -7.526 11.387 -0.532 1.00 0.00 C ATOM 1111 O ASP A 76 -8.658 11.787 -0.257 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.461 12.657 0.088 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.189 13.985 0.011 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.707 14.438 1.053 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.242 14.570 -1.091 1.00 0.00 O ATOM 0 H ASP A 76 -4.651 10.341 0.314 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.817 11.710 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.653 12.731 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.003 12.441 -0.877 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.218 10.838 -1.702 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.214 10.667 -2.753 1.00 0.00 C ATOM 1122 C LYS A 77 -9.060 9.422 -2.504 1.00 0.00 C ATOM 1123 O LYS A 77 -10.282 9.505 -2.375 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.532 10.569 -4.119 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.461 10.114 -5.232 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.689 9.496 -6.385 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.042 10.561 -7.257 1.00 0.00 C ATOM 1128 NZ LYS A 77 -6.110 9.969 -8.256 1.00 0.00 N ATOM 0 H LYS A 77 -6.286 10.504 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.870 11.538 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.117 11.543 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.695 9.874 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.173 9.388 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.040 10.964 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.921 8.829 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.362 8.888 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.817 11.127 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.499 11.266 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.263 10.567 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.832 9.015 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.583 9.910 -9.180 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.402 8.269 -2.438 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.093 7.006 -2.202 1.00 0.00 C ATOM 1144 C HIS A 78 -9.333 6.788 -0.711 1.00 0.00 C ATOM 1145 O HIS A 78 -9.157 5.682 -0.201 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.285 5.843 -2.777 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.906 6.029 -4.214 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.740 5.792 -4.859 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.777 6.515 -5.165 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -6.927 6.134 -6.176 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.164 6.567 -6.334 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.391 8.183 -2.545 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.059 7.050 -2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.379 5.713 -2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.865 4.925 -2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.801 6.808 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.183 6.061 -6.955 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.577 6.887 -7.210 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.735 7.850 -0.020 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.997 7.773 1.412 1.00 0.00 C ATOM 1162 C GLN A 79 -10.766 6.502 1.758 1.00 0.00 C ATOM 1163 O GLN A 79 -10.512 5.870 2.783 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.783 9.001 1.875 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.917 10.232 2.090 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.729 11.510 2.167 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.609 11.751 1.340 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.437 12.338 3.163 1.00 0.00 N ATOM 0 H GLN A 79 -9.886 8.772 -0.428 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.038 7.748 1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.550 9.231 1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.299 8.763 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.345 10.113 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.197 10.312 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.700 12.098 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.950 13.214 3.265 1.00 0.00 H new ATOM 1177 N SER A 80 -11.709 6.134 0.896 1.00 0.00 N ATOM 1178 CA SER A 80 -12.519 4.941 1.112 1.00 0.00 C ATOM 1179 C SER A 80 -11.637 3.703 1.250 1.00 0.00 C ATOM 1180 O SER A 80 -11.793 2.916 2.184 1.00 0.00 O ATOM 1181 CB SER A 80 -13.505 4.752 -0.042 1.00 0.00 C ATOM 1182 OG SER A 80 -14.645 5.578 0.121 1.00 0.00 O ATOM 0 H SER A 80 -11.931 6.645 0.042 1.00 0.00 H new ATOM 0 HA SER A 80 -13.077 5.074 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.014 4.987 -0.986 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.813 3.708 -0.094 1.00 0.00 H new ATOM 0 HG SER A 80 -15.259 5.440 -0.630 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.710 3.538 0.313 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.801 2.397 0.328 1.00 0.00 C ATOM 1190 C LEU A 81 -9.021 2.339 1.637 1.00 0.00 C ATOM 1191 O LEU A 81 -9.049 1.333 2.344 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.832 2.476 -0.853 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.434 2.211 -2.234 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.387 2.410 -3.319 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.015 0.806 -2.302 1.00 0.00 C ATOM 0 H LEU A 81 -10.568 4.180 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.397 1.488 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.379 3.468 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.028 1.760 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.241 2.924 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.833 2.217 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.018 3.435 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.559 1.721 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.439 0.635 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.227 0.077 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.796 0.698 -1.549 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.327 3.427 1.956 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.551 3.481 3.181 1.00 0.00 C ATOM 1209 C GLY A 82 -8.374 3.127 4.404 1.00 0.00 C ATOM 1210 O GLY A 82 -8.082 2.152 5.096 1.00 0.00 O ATOM 0 H GLY A 82 -8.288 4.273 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.707 2.795 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.138 4.482 3.302 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.405 3.922 4.673 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.255 3.672 5.822 1.00 0.00 C ATOM 1216 C GLY A 83 -10.863 2.284 5.802 1.00 0.00 C ATOM 1217 O GLY A 83 -10.852 1.581 6.813 1.00 0.00 O ATOM 0 H GLY A 83 -9.667 4.735 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.673 3.797 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.053 4.414 5.848 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.395 1.889 4.650 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.013 0.576 4.505 1.00 0.00 C ATOM 1223 C GLN A 84 -11.136 -0.509 5.122 1.00 0.00 C ATOM 1224 O GLN A 84 -11.615 -1.593 5.456 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.264 0.268 3.028 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.970 -1.058 2.795 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.599 -1.150 1.419 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.820 -1.082 1.276 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.767 -1.305 0.396 1.00 0.00 N ATOM 0 H GLN A 84 -11.411 2.459 3.804 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.967 0.590 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.862 1.070 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.311 0.260 2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.256 -1.872 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.742 -1.193 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.762 -1.357 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.133 -1.373 -0.554 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.850 -0.211 5.269 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.906 -1.162 5.842 1.00 0.00 C ATOM 1240 C TYR A 85 -8.566 -0.791 7.283 1.00 0.00 C ATOM 1241 O TYR A 85 -8.432 -1.659 8.144 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.629 -1.214 5.002 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.758 -2.060 3.756 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.626 -1.697 2.734 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.013 -3.222 3.600 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.749 -2.467 1.593 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.128 -3.998 2.463 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.997 -3.616 1.462 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.115 -4.386 0.328 1.00 0.00 O ATOM 0 H TYR A 85 -9.438 0.682 4.999 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.374 -2.146 5.840 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.351 -0.200 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.817 -1.606 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.215 -0.797 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.332 -3.524 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.430 -2.171 0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.541 -4.898 2.358 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.895 -3.845 -0.459 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.427 0.507 7.536 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.105 0.972 8.872 1.00 0.00 C ATOM 1261 C GLY A 86 -7.025 2.036 8.871 1.00 0.00 C ATOM 1262 O GLY A 86 -6.290 2.187 9.847 1.00 0.00 O ATOM 0 H GLY A 86 -8.532 1.245 6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.004 1.372 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.778 0.127 9.478 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.928 2.777 7.771 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.930 3.832 7.646 1.00 0.00 C ATOM 1268 C VAL A 87 -6.402 5.118 8.316 1.00 0.00 C ATOM 1269 O VAL A 87 -7.413 5.698 7.921 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.604 4.125 6.169 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.498 5.164 6.062 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.216 2.845 5.446 1.00 0.00 C ATOM 0 H VAL A 87 -7.529 2.666 6.954 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.029 3.475 8.145 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.496 4.529 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.281 5.358 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.819 6.088 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.600 4.792 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.989 3.070 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.338 2.410 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.043 2.136 5.492 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.664 5.556 9.330 1.00 0.00 N ATOM 1283 CA GLN A 88 -6.009 6.774 10.055 1.00 0.00 C ATOM 1284 C GLN A 88 -4.925 7.833 9.886 1.00 0.00 C ATOM 1285 O GLN A 88 -5.216 9.024 9.792 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.212 6.468 11.540 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.992 5.855 12.208 1.00 0.00 C ATOM 1288 CD GLN A 88 -5.092 5.857 13.721 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -4.515 6.714 14.391 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -5.827 4.896 14.267 1.00 0.00 N ATOM 0 H GLN A 88 -4.824 5.087 9.669 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.939 7.163 9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.476 7.389 12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.056 5.787 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.867 4.831 11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.102 6.406 11.906 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.288 4.206 13.673 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.931 4.847 15.280 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.671 7.390 9.848 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.563 8.313 9.691 1.00 0.00 C ATOM 1301 C GLY A 89 -1.522 7.808 8.711 1.00 0.00 C ATOM 1302 O GLY A 89 -1.015 6.695 8.852 1.00 0.00 O ATOM 0 H GLY A 89 -3.404 6.409 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.942 9.276 9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.094 8.481 10.660 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.204 8.627 7.713 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.219 8.256 6.704 1.00 0.00 C ATOM 1308 C PHE A 90 1.146 8.854 7.031 1.00 0.00 C ATOM 1309 O PHE A 90 1.270 9.779 7.834 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.676 8.722 5.320 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.141 9.044 5.249 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -3.088 8.110 5.638 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.571 10.279 4.794 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.438 8.404 5.573 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.919 10.579 4.726 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.853 9.640 5.117 1.00 0.00 C ATOM 0 H PHE A 90 -1.614 9.552 7.582 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.128 7.170 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.104 9.605 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.447 7.945 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.769 7.142 5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.844 11.017 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.167 7.668 5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.241 11.546 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.907 9.872 5.066 1.00 0.00 H new ATOM 1326 N PRO A 91 2.195 8.315 6.393 1.00 0.00 N ATOM 1327 CA PRO A 91 2.059 7.214 5.435 1.00 0.00 C ATOM 1328 C PRO A 91 1.671 5.903 6.110 1.00 0.00 C ATOM 1329 O PRO A 91 1.993 5.673 7.276 1.00 0.00 O ATOM 1330 CB PRO A 91 3.456 7.105 4.819 1.00 0.00 C ATOM 1331 CG PRO A 91 4.372 7.659 5.856 1.00 0.00 C ATOM 1332 CD PRO A 91 3.596 8.738 6.559 1.00 0.00 C ATOM 0 HA PRO A 91 1.271 7.403 4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.705 6.070 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.524 7.669 3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.684 6.884 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.277 8.062 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.872 8.811 7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.776 9.717 6.114 1.00 0.00 H new ATOM 1340 N THR A 92 0.976 5.044 5.369 1.00 0.00 N ATOM 1341 CA THR A 92 0.543 3.756 5.896 1.00 0.00 C ATOM 1342 C THR A 92 0.714 2.652 4.859 1.00 0.00 C ATOM 1343 O THR A 92 -0.062 2.556 3.908 1.00 0.00 O ATOM 1344 CB THR A 92 -0.929 3.800 6.346 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.085 4.728 7.425 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.403 2.421 6.783 1.00 0.00 C ATOM 0 H THR A 92 0.701 5.218 4.402 1.00 0.00 H new ATOM 0 HA THR A 92 1.172 3.540 6.759 1.00 0.00 H new ATOM 0 HB THR A 92 -1.535 4.124 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.210 5.097 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.445 2.477 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.312 1.724 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.792 2.073 7.616 1.00 0.00 H new ATOM 1354 N ILE A 93 1.733 1.821 5.049 1.00 0.00 N ATOM 1355 CA ILE A 93 2.004 0.723 4.130 1.00 0.00 C ATOM 1356 C ILE A 93 1.327 -0.562 4.595 1.00 0.00 C ATOM 1357 O ILE A 93 1.296 -0.865 5.788 1.00 0.00 O ATOM 1358 CB ILE A 93 3.516 0.469 3.985 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.221 1.731 3.484 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.770 -0.696 3.041 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.672 1.820 3.902 1.00 0.00 C ATOM 0 H ILE A 93 2.384 1.887 5.831 1.00 0.00 H new ATOM 0 HA ILE A 93 1.599 1.016 3.161 1.00 0.00 H new ATOM 0 HB ILE A 93 3.922 0.213 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.162 1.762 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.690 2.606 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.843 -0.863 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.296 -1.594 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.353 -0.467 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.107 2.740 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.738 1.821 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.218 0.964 3.506 1.00 0.00 H new ATOM 1373 N LYS A 94 0.786 -1.317 3.644 1.00 0.00 N ATOM 1374 CA LYS A 94 0.112 -2.572 3.954 1.00 0.00 C ATOM 1375 C LYS A 94 0.559 -3.679 3.005 1.00 0.00 C ATOM 1376 O LYS A 94 0.720 -3.453 1.805 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.406 -2.394 3.868 1.00 0.00 C ATOM 1378 CG LYS A 94 -1.998 -1.645 5.049 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.323 -2.584 6.199 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.359 -1.982 7.135 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.795 -2.951 8.178 1.00 0.00 N ATOM 0 H LYS A 94 0.802 -1.081 2.652 1.00 0.00 H new ATOM 0 HA LYS A 94 0.381 -2.859 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.649 -1.859 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.875 -3.375 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.295 -0.884 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.904 -1.126 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.694 -3.530 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.413 -2.806 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.944 -1.095 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.224 -1.656 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.501 -2.502 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.215 -3.786 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.974 -3.243 8.746 1.00 0.00 H new ATOM 1395 N ILE A 95 0.757 -4.875 3.549 1.00 0.00 N ATOM 1396 CA ILE A 95 1.183 -6.016 2.749 1.00 0.00 C ATOM 1397 C ILE A 95 -0.002 -6.903 2.382 1.00 0.00 C ATOM 1398 O ILE A 95 -0.894 -7.135 3.198 1.00 0.00 O ATOM 1399 CB ILE A 95 2.233 -6.864 3.492 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.526 -6.067 3.677 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.504 -8.155 2.735 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.295 -6.443 4.924 1.00 0.00 C ATOM 0 H ILE A 95 0.629 -5.079 4.540 1.00 0.00 H new ATOM 0 HA ILE A 95 1.629 -5.614 1.839 1.00 0.00 H new ATOM 0 HB ILE A 95 1.841 -7.119 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.164 -6.219 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.286 -5.004 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.248 -8.743 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.581 -8.728 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.878 -7.921 1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.199 -5.838 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.674 -6.264 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.566 -7.498 4.880 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.003 -7.398 1.148 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.078 -8.260 0.672 1.00 0.00 C ATOM 1416 C PHE A 96 -0.530 -9.605 0.206 1.00 0.00 C ATOM 1417 O PHE A 96 0.378 -9.665 -0.622 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.837 -7.582 -0.471 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.777 -6.505 -0.010 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.290 -5.313 0.501 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.149 -6.686 -0.089 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.153 -4.320 0.925 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.017 -5.696 0.333 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.518 -4.513 0.842 1.00 0.00 C ATOM 0 H PHE A 96 0.728 -7.217 0.460 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.764 -8.434 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.119 -7.152 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.402 -8.336 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.223 -5.158 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.544 -7.610 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.761 -3.395 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.084 -5.848 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.195 -3.740 1.175 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.089 -10.685 0.745 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.643 -12.015 0.373 1.00 0.00 C ATOM 1436 C GLY A 97 -1.571 -13.100 0.883 1.00 0.00 C ATOM 1437 O GLY A 97 -2.497 -13.513 0.186 1.00 0.00 O ATOM 0 H GLY A 97 -1.842 -10.662 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.573 -12.081 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.359 -12.183 0.768 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.320 -13.566 2.102 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.140 -14.610 2.705 1.00 0.00 C ATOM 1443 C ALA A 98 -3.625 -14.315 2.523 1.00 0.00 C ATOM 1444 O ALA A 98 -4.333 -15.050 1.835 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.806 -14.756 4.182 1.00 0.00 C ATOM 0 H ALA A 98 -0.555 -13.237 2.692 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.918 -15.550 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.426 -15.539 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.755 -15.021 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.998 -13.813 4.693 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.090 -13.236 3.144 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.492 -12.846 3.051 1.00 0.00 C ATOM 1453 C ASN A 99 -5.635 -11.489 2.368 1.00 0.00 C ATOM 1454 O ASN A 99 -5.490 -10.444 3.002 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.123 -12.796 4.444 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.635 -12.701 4.391 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.235 -12.212 5.470 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.256 -13.063 3.392 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.517 -12.616 3.717 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.011 -13.593 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.837 -13.688 5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.727 -11.939 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.753 -13.433 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.273 -12.993 3.371 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.920 -11.514 1.070 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.085 -10.287 0.299 1.00 0.00 C ATOM 1467 C LYS A 100 -7.162 -9.399 0.914 1.00 0.00 C ATOM 1468 O LYS A 100 -7.206 -8.196 0.660 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.447 -10.617 -1.151 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.265 -11.085 -1.981 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.238 -9.980 -2.162 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.093 -10.424 -3.059 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.325 -11.551 -2.461 1.00 0.00 N ATOM 0 H LYS A 100 -6.042 -12.371 0.530 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.139 -9.746 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.214 -11.391 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.881 -9.733 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.797 -11.942 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.615 -11.421 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.719 -9.102 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.846 -9.684 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.488 -10.728 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.424 -9.582 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.357 -11.553 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.290 -11.438 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.791 -12.451 -2.695 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.027 -10.000 1.725 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.103 -9.262 2.376 1.00 0.00 C ATOM 1489 C ASN A 101 -8.597 -8.559 3.633 1.00 0.00 C ATOM 1490 O ASN A 101 -9.114 -7.512 4.023 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.253 -10.206 2.734 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.275 -10.319 1.620 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.318 -9.666 1.651 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.980 -11.152 0.629 1.00 0.00 N ATOM 0 H ASN A 101 -8.004 -10.995 1.947 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.466 -8.506 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.852 -11.195 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.744 -9.849 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.630 -11.271 -0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.103 -11.673 0.645 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.583 -9.142 4.262 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.004 -8.572 5.473 1.00 0.00 C ATOM 1503 C LYS A 102 -5.480 -8.593 5.411 1.00 0.00 C ATOM 1504 O LYS A 102 -4.835 -9.584 5.752 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.485 -9.343 6.704 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.972 -9.653 6.685 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.391 -10.452 7.908 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.636 -11.281 7.633 1.00 0.00 C ATOM 1509 NZ LYS A 102 -11.883 -10.528 7.942 1.00 0.00 N ATOM 0 H LYS A 102 -7.144 -10.010 3.953 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.332 -7.535 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.929 -10.277 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.255 -8.764 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.538 -8.722 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.216 -10.213 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.576 -11.108 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.581 -9.773 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.646 -11.586 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.605 -12.192 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.709 -11.127 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.886 -10.259 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.926 -9.671 7.354 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.890 -7.474 4.966 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.435 -7.339 4.850 1.00 0.00 C ATOM 1525 C PRO A 103 -2.749 -7.277 6.210 1.00 0.00 C ATOM 1526 O PRO A 103 -3.409 -7.197 7.245 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.260 -6.015 4.102 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.495 -5.240 4.410 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.597 -6.254 4.542 1.00 0.00 C ATOM 0 HA PRO A 103 -2.985 -8.193 4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.367 -5.486 4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.152 -6.177 3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.378 -4.669 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.715 -4.525 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.341 -5.945 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.122 -6.402 3.598 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.420 -7.315 6.200 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.645 -7.263 7.434 1.00 0.00 C ATOM 1539 C GLU A 104 0.116 -5.945 7.545 1.00 0.00 C ATOM 1540 O GLU A 104 0.643 -5.436 6.555 1.00 0.00 O ATOM 1541 CB GLU A 104 0.334 -8.437 7.497 1.00 0.00 C ATOM 1542 CG GLU A 104 1.438 -8.365 6.455 1.00 0.00 C ATOM 1543 CD GLU A 104 2.577 -9.324 6.745 1.00 0.00 C ATOM 1544 OE1 GLU A 104 3.171 -9.225 7.839 1.00 0.00 O ATOM 1545 OE2 GLU A 104 2.875 -10.171 5.878 1.00 0.00 O ATOM 0 H GLU A 104 -0.858 -7.382 5.351 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.339 -7.332 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.784 -8.471 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.218 -9.367 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.021 -8.588 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.827 -7.347 6.412 1.00 0.00 H new ATOM 1552 N ASP A 105 0.168 -5.398 8.754 1.00 0.00 N ATOM 1553 CA ASP A 105 0.864 -4.140 8.995 1.00 0.00 C ATOM 1554 C ASP A 105 2.310 -4.218 8.515 1.00 0.00 C ATOM 1555 O ASP A 105 3.031 -5.164 8.835 1.00 0.00 O ATOM 1556 CB ASP A 105 0.826 -3.788 10.483 1.00 0.00 C ATOM 1557 CG ASP A 105 0.837 -2.292 10.725 1.00 0.00 C ATOM 1558 OD1 ASP A 105 1.882 -1.657 10.469 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.199 -1.755 11.168 1.00 0.00 O ATOM 0 H ASP A 105 -0.264 -5.806 9.583 1.00 0.00 H new ATOM 0 HA ASP A 105 0.355 -3.358 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.069 -4.219 10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.683 -4.240 10.982 1.00 0.00 H new ATOM 1564 N TYR A 106 2.727 -3.220 7.745 1.00 0.00 N ATOM 1565 CA TYR A 106 4.086 -3.177 7.218 1.00 0.00 C ATOM 1566 C TYR A 106 5.061 -2.652 8.267 1.00 0.00 C ATOM 1567 O TYR A 106 5.211 -1.444 8.441 1.00 0.00 O ATOM 1568 CB TYR A 106 4.143 -2.298 5.968 1.00 0.00 C ATOM 1569 CG TYR A 106 5.546 -2.064 5.455 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.310 -1.002 5.924 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.107 -2.904 4.501 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.592 -0.785 5.458 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.389 -2.695 4.031 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.128 -1.634 4.512 1.00 0.00 C ATOM 1575 OH TYR A 106 9.404 -1.422 4.045 1.00 0.00 O ATOM 0 H TYR A 106 2.144 -2.429 7.471 1.00 0.00 H new ATOM 0 HA TYR A 106 4.378 -4.193 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.550 -2.763 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.681 -1.336 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.894 -0.335 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.531 -3.734 4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.172 0.045 5.832 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.811 -3.359 3.291 1.00 0.00 H new ATOM 0 HH TYR A 106 9.647 -0.481 4.174 1.00 0.00 H new ATOM 1585 N GLN A 107 5.723 -3.572 8.963 1.00 0.00 N ATOM 1586 CA GLN A 107 6.684 -3.203 9.995 1.00 0.00 C ATOM 1587 C GLN A 107 8.104 -3.199 9.440 1.00 0.00 C ATOM 1588 O GLN A 107 9.029 -3.711 10.069 1.00 0.00 O ATOM 1589 CB GLN A 107 6.589 -4.168 11.179 1.00 0.00 C ATOM 1590 CG GLN A 107 7.027 -3.556 12.499 1.00 0.00 C ATOM 1591 CD GLN A 107 6.119 -2.429 12.950 1.00 0.00 C ATOM 1592 OE1 GLN A 107 6.508 -1.260 12.941 1.00 0.00 O ATOM 1593 NE2 GLN A 107 4.900 -2.774 13.348 1.00 0.00 N ATOM 0 H GLN A 107 5.611 -4.577 8.831 1.00 0.00 H new ATOM 0 HA GLN A 107 6.444 -2.196 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.560 -4.515 11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.203 -5.044 10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.046 -4.331 13.266 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.045 -3.180 12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.619 -3.755 13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.245 -2.058 13.662 1.00 0.00 H new ATOM 1602 N GLY A 108 8.270 -2.618 8.256 1.00 0.00 N ATOM 1603 CA GLY A 108 9.581 -2.559 7.635 1.00 0.00 C ATOM 1604 C GLY A 108 10.097 -1.139 7.504 1.00 0.00 C ATOM 1605 O GLY A 108 9.472 -0.197 7.989 1.00 0.00 O ATOM 0 H GLY A 108 7.520 -2.187 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.286 -3.145 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.533 -3.017 6.647 1.00 0.00 H new ATOM 1609 N GLY A 109 11.243 -0.986 6.848 1.00 0.00 N ATOM 1610 CA GLY A 109 11.825 0.332 6.669 1.00 0.00 C ATOM 1611 C GLY A 109 11.173 1.104 5.539 1.00 0.00 C ATOM 1612 O GLY A 109 10.809 0.528 4.514 1.00 0.00 O ATOM 0 H GLY A 109 11.779 -1.751 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.727 0.898 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.892 0.231 6.468 1.00 0.00 H new ATOM 1616 N ARG A 110 11.024 2.411 5.726 1.00 0.00 N ATOM 1617 CA ARG A 110 10.409 3.263 4.716 1.00 0.00 C ATOM 1618 C ARG A 110 11.429 3.673 3.657 1.00 0.00 C ATOM 1619 O ARG A 110 11.393 4.793 3.146 1.00 0.00 O ATOM 1620 CB ARG A 110 9.804 4.508 5.367 1.00 0.00 C ATOM 1621 CG ARG A 110 8.712 4.197 6.376 1.00 0.00 C ATOM 1622 CD ARG A 110 7.674 5.307 6.433 1.00 0.00 C ATOM 1623 NE ARG A 110 8.214 6.532 7.017 1.00 0.00 N ATOM 1624 CZ ARG A 110 8.285 6.755 8.324 1.00 0.00 C ATOM 1625 NH1 ARG A 110 7.852 5.839 9.180 1.00 0.00 N ATOM 1626 NH2 ARG A 110 8.790 7.895 8.778 1.00 0.00 N ATOM 0 H ARG A 110 11.321 2.903 6.568 1.00 0.00 H new ATOM 0 HA ARG A 110 9.616 2.694 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.596 5.070 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.395 5.152 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 110 8.227 3.257 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.155 4.060 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.310 5.515 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.818 4.973 7.019 1.00 0.00 H new ATOM 0 HE ARG A 110 8.556 7.257 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.464 4.961 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.907 6.012 10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.124 8.602 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.844 8.065 9.782 1.00 0.00 H new ATOM 1640 N THR A 111 12.339 2.760 3.333 1.00 0.00 N ATOM 1641 CA THR A 111 13.369 3.027 2.337 1.00 0.00 C ATOM 1642 C THR A 111 13.353 1.975 1.234 1.00 0.00 C ATOM 1643 O THR A 111 13.311 0.776 1.506 1.00 0.00 O ATOM 1644 CB THR A 111 14.770 3.064 2.975 1.00 0.00 C ATOM 1645 OG1 THR A 111 14.887 2.032 3.961 1.00 0.00 O ATOM 1646 CG2 THR A 111 15.038 4.417 3.616 1.00 0.00 C ATOM 0 H THR A 111 12.384 1.829 3.746 1.00 0.00 H new ATOM 0 HA THR A 111 13.147 4.004 1.907 1.00 0.00 H new ATOM 0 HB THR A 111 15.507 2.900 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 111 15.781 2.061 4.361 1.00 0.00 H new ATOM 0 HG21 THR A 111 16.034 4.419 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 111 14.978 5.197 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 111 14.295 4.606 4.391 1.00 0.00 H new ATOM 1654 N GLY A 112 13.387 2.433 -0.014 1.00 0.00 N ATOM 1655 CA GLY A 112 13.377 1.518 -1.140 1.00 0.00 C ATOM 1656 C GLY A 112 14.114 0.226 -0.845 1.00 0.00 C ATOM 1657 O GLY A 112 13.655 -0.855 -1.213 1.00 0.00 O ATOM 0 H GLY A 112 13.421 3.421 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.346 1.291 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.833 2.004 -2.003 1.00 0.00 H new ATOM 1661 N GLU A 113 15.260 0.339 -0.181 1.00 0.00 N ATOM 1662 CA GLU A 113 16.062 -0.829 0.160 1.00 0.00 C ATOM 1663 C GLU A 113 15.314 -1.738 1.132 1.00 0.00 C ATOM 1664 O GLU A 113 15.068 -2.908 0.840 1.00 0.00 O ATOM 1665 CB GLU A 113 17.397 -0.398 0.773 1.00 0.00 C ATOM 1666 CG GLU A 113 17.338 0.949 1.474 1.00 0.00 C ATOM 1667 CD GLU A 113 18.302 1.041 2.641 1.00 0.00 C ATOM 1668 OE1 GLU A 113 17.959 0.547 3.735 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.399 1.608 2.459 1.00 0.00 O ATOM 0 H GLU A 113 15.653 1.227 0.131 1.00 0.00 H new ATOM 0 HA GLU A 113 16.254 -1.386 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.721 -1.156 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.151 -0.357 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.565 1.738 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.323 1.125 1.831 1.00 0.00 H new ATOM 1676 N ALA A 114 14.957 -1.190 2.289 1.00 0.00 N ATOM 1677 CA ALA A 114 14.237 -1.950 3.303 1.00 0.00 C ATOM 1678 C ALA A 114 13.023 -2.653 2.704 1.00 0.00 C ATOM 1679 O ALA A 114 12.874 -3.869 2.830 1.00 0.00 O ATOM 1680 CB ALA A 114 13.810 -1.036 4.443 1.00 0.00 C ATOM 0 H ALA A 114 15.155 -0.223 2.547 1.00 0.00 H new ATOM 0 HA ALA A 114 14.909 -2.713 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.273 -1.617 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.692 -0.584 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.159 -0.252 4.056 1.00 0.00 H new ATOM 1686 N ILE A 115 12.159 -1.881 2.054 1.00 0.00 N ATOM 1687 CA ILE A 115 10.959 -2.431 1.436 1.00 0.00 C ATOM 1688 C ILE A 115 11.288 -3.660 0.595 1.00 0.00 C ATOM 1689 O ILE A 115 10.622 -4.690 0.696 1.00 0.00 O ATOM 1690 CB ILE A 115 10.256 -1.388 0.547 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.915 -0.138 1.361 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.000 -1.982 -0.073 1.00 0.00 C ATOM 1693 CD1 ILE A 115 9.923 1.135 0.545 1.00 0.00 C ATOM 0 H ILE A 115 12.268 -0.873 1.942 1.00 0.00 H new ATOM 0 HA ILE A 115 10.289 -2.717 2.247 1.00 0.00 H new ATOM 0 HB ILE A 115 10.934 -1.101 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.931 -0.265 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.629 -0.041 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.514 -1.233 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.268 -2.845 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.317 -2.294 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.673 1.980 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.914 1.286 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.188 1.058 -0.257 1.00 0.00 H new ATOM 1705 N VAL A 116 12.322 -3.545 -0.233 1.00 0.00 N ATOM 1706 CA VAL A 116 12.742 -4.648 -1.089 1.00 0.00 C ATOM 1707 C VAL A 116 12.924 -5.929 -0.284 1.00 0.00 C ATOM 1708 O VAL A 116 12.557 -7.015 -0.734 1.00 0.00 O ATOM 1709 CB VAL A 116 14.058 -4.321 -1.819 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.532 -5.520 -2.627 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.883 -3.102 -2.712 1.00 0.00 C ATOM 0 H VAL A 116 12.884 -2.699 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 116 11.953 -4.795 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 116 14.819 -4.091 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.463 -5.271 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.698 -6.366 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.774 -5.784 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.823 -2.885 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.108 -3.301 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.593 -2.245 -2.105 1.00 0.00 H new ATOM 1721 N ASP A 117 13.494 -5.796 0.909 1.00 0.00 N ATOM 1722 CA ASP A 117 13.724 -6.944 1.778 1.00 0.00 C ATOM 1723 C ASP A 117 12.416 -7.431 2.393 1.00 0.00 C ATOM 1724 O ASP A 117 12.219 -8.630 2.588 1.00 0.00 O ATOM 1725 CB ASP A 117 14.718 -6.582 2.883 1.00 0.00 C ATOM 1726 CG ASP A 117 15.437 -7.797 3.436 1.00 0.00 C ATOM 1727 OD1 ASP A 117 16.294 -8.356 2.720 1.00 0.00 O ATOM 1728 OD2 ASP A 117 15.142 -8.191 4.584 1.00 0.00 O ATOM 0 H ASP A 117 13.805 -4.905 1.296 1.00 0.00 H new ATOM 0 HA ASP A 117 14.142 -7.749 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.451 -5.877 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.190 -6.077 3.692 1.00 0.00 H new ATOM 1733 N ALA A 118 11.525 -6.493 2.697 1.00 0.00 N ATOM 1734 CA ALA A 118 10.236 -6.827 3.289 1.00 0.00 C ATOM 1735 C ALA A 118 9.369 -7.611 2.310 1.00 0.00 C ATOM 1736 O ALA A 118 8.797 -8.642 2.661 1.00 0.00 O ATOM 1737 CB ALA A 118 9.518 -5.563 3.737 1.00 0.00 C ATOM 0 H ALA A 118 11.673 -5.496 2.543 1.00 0.00 H new ATOM 0 HA ALA A 118 10.416 -7.458 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.557 -5.827 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.125 -5.043 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.357 -4.912 2.878 1.00 0.00 H new ATOM 1743 N ALA A 119 9.276 -7.115 1.080 1.00 0.00 N ATOM 1744 CA ALA A 119 8.480 -7.770 0.050 1.00 0.00 C ATOM 1745 C ALA A 119 8.939 -9.208 -0.167 1.00 0.00 C ATOM 1746 O ALA A 119 8.121 -10.126 -0.242 1.00 0.00 O ATOM 1747 CB ALA A 119 8.556 -6.987 -1.253 1.00 0.00 C ATOM 0 H ALA A 119 9.742 -6.261 0.773 1.00 0.00 H new ATOM 0 HA ALA A 119 7.444 -7.794 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.957 -7.487 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.173 -5.979 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.593 -6.933 -1.585 1.00 0.00 H new ATOM 1753 N LEU A 120 10.250 -9.397 -0.267 1.00 0.00 N ATOM 1754 CA LEU A 120 10.817 -10.724 -0.476 1.00 0.00 C ATOM 1755 C LEU A 120 10.445 -11.662 0.667 1.00 0.00 C ATOM 1756 O LEU A 120 9.841 -12.713 0.450 1.00 0.00 O ATOM 1757 CB LEU A 120 12.339 -10.636 -0.603 1.00 0.00 C ATOM 1758 CG LEU A 120 12.868 -9.880 -1.822 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.242 -9.296 -1.534 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.921 -10.797 -3.036 1.00 0.00 C ATOM 0 H LEU A 120 10.940 -8.648 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 120 10.404 -11.126 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.731 -10.158 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.741 -11.649 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 120 12.185 -9.059 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.602 -8.762 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.175 -8.606 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.935 -10.101 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.300 -10.242 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.581 -11.639 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.920 -11.167 -3.256 1.00 0.00 H new ATOM 1772 N SER A 121 10.807 -11.274 1.886 1.00 0.00 N ATOM 1773 CA SER A 121 10.512 -12.081 3.064 1.00 0.00 C ATOM 1774 C SER A 121 9.091 -12.634 3.003 1.00 0.00 C ATOM 1775 O SER A 121 8.862 -13.817 3.250 1.00 0.00 O ATOM 1776 CB SER A 121 10.693 -11.250 4.336 1.00 0.00 C ATOM 1777 OG SER A 121 11.039 -12.072 5.437 1.00 0.00 O ATOM 0 H SER A 121 11.305 -10.406 2.083 1.00 0.00 H new ATOM 0 HA SER A 121 11.209 -12.919 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.470 -10.502 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.772 -10.711 4.556 1.00 0.00 H new ATOM 0 HG SER A 121 11.151 -11.517 6.237 1.00 0.00 H new ATOM 1783 N ALA A 122 8.140 -11.767 2.671 1.00 0.00 N ATOM 1784 CA ALA A 122 6.742 -12.167 2.574 1.00 0.00 C ATOM 1785 C ALA A 122 6.520 -13.109 1.395 1.00 0.00 C ATOM 1786 O ALA A 122 5.903 -14.165 1.538 1.00 0.00 O ATOM 1787 CB ALA A 122 5.849 -10.941 2.448 1.00 0.00 C ATOM 0 H ALA A 122 8.313 -10.783 2.465 1.00 0.00 H new ATOM 0 HA ALA A 122 6.479 -12.702 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.808 -11.255 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.977 -10.306 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.122 -10.383 1.553 1.00 0.00 H new ATOM 1793 N LEU A 123 7.027 -12.720 0.230 1.00 0.00 N ATOM 1794 CA LEU A 123 6.884 -13.529 -0.975 1.00 0.00 C ATOM 1795 C LEU A 123 7.149 -15.002 -0.676 1.00 0.00 C ATOM 1796 O LEU A 123 6.277 -15.850 -0.866 1.00 0.00 O ATOM 1797 CB LEU A 123 7.842 -13.037 -2.060 1.00 0.00 C ATOM 1798 CG LEU A 123 7.507 -13.457 -3.492 1.00 0.00 C ATOM 1799 CD1 LEU A 123 7.653 -14.962 -3.655 1.00 0.00 C ATOM 1800 CD2 LEU A 123 6.100 -13.012 -3.863 1.00 0.00 C ATOM 0 H LEU A 123 7.541 -11.849 0.095 1.00 0.00 H new ATOM 0 HA LEU A 123 5.859 -13.428 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.876 -11.948 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.843 -13.396 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 123 8.210 -12.970 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 123 7.411 -15.242 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.679 -15.254 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.974 -15.470 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.879 -13.319 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.382 -13.471 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.030 -11.927 -3.787 1.00 0.00 H new ATOM 1812 N ARG A 124 8.356 -15.297 -0.206 1.00 0.00 N ATOM 1813 CA ARG A 124 8.735 -16.666 0.120 1.00 0.00 C ATOM 1814 C ARG A 124 7.828 -17.238 1.206 1.00 0.00 C ATOM 1815 O ARG A 124 7.619 -18.448 1.280 1.00 0.00 O ATOM 1816 CB ARG A 124 10.194 -16.719 0.579 1.00 0.00 C ATOM 1817 CG ARG A 124 10.407 -16.199 1.991 1.00 0.00 C ATOM 1818 CD ARG A 124 11.694 -16.739 2.595 1.00 0.00 C ATOM 1819 NE ARG A 124 11.756 -16.519 4.037 1.00 0.00 N ATOM 1820 CZ ARG A 124 10.954 -17.122 4.908 1.00 0.00 C ATOM 1821 NH1 ARG A 124 10.035 -17.978 4.485 1.00 0.00 N ATOM 1822 NH2 ARG A 124 11.072 -16.870 6.206 1.00 0.00 N ATOM 0 H ARG A 124 9.088 -14.606 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 124 8.622 -17.271 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 124 10.547 -17.749 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 124 10.804 -16.135 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 124 10.439 -15.110 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.562 -16.485 2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 124 11.772 -17.806 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 124 12.548 -16.258 2.118 1.00 0.00 H new ATOM 0 HE ARG A 124 12.453 -15.867 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 124 9.942 -18.175 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 124 9.421 -18.440 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.779 -16.213 6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 124 10.456 -17.334 6.874 1.00 0.00 H new ATOM 1836 N SER A 125 7.294 -16.358 2.047 1.00 0.00 N ATOM 1837 CA SER A 125 6.413 -16.775 3.131 1.00 0.00 C ATOM 1838 C SER A 125 5.238 -17.587 2.595 1.00 0.00 C ATOM 1839 O SER A 125 4.963 -18.689 3.069 1.00 0.00 O ATOM 1840 CB SER A 125 5.897 -15.554 3.896 1.00 0.00 C ATOM 1841 OG SER A 125 5.514 -15.903 5.215 1.00 0.00 O ATOM 0 H SER A 125 7.456 -15.352 1.998 1.00 0.00 H new ATOM 0 HA SER A 125 6.987 -17.405 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.672 -14.788 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.046 -15.124 3.369 1.00 0.00 H new ATOM 0 HG SER A 125 5.190 -15.106 5.683 1.00 0.00 H new ATOM 1847 N GLY A 126 4.548 -17.034 1.603 1.00 0.00 N ATOM 1848 CA GLY A 126 3.410 -17.720 1.018 1.00 0.00 C ATOM 1849 C GLY A 126 3.823 -18.754 -0.011 1.00 0.00 C ATOM 1850 O GLY A 126 4.567 -18.466 -0.949 1.00 0.00 O ATOM 0 H GLY A 126 4.756 -16.123 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.837 -18.206 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.750 -16.989 0.550 1.00 0.00 H new ATOM 1854 N PRO A 127 3.336 -19.992 0.161 1.00 0.00 N ATOM 1855 CA PRO A 127 3.646 -21.098 -0.750 1.00 0.00 C ATOM 1856 C PRO A 127 2.993 -20.924 -2.117 1.00 0.00 C ATOM 1857 O PRO A 127 3.075 -21.807 -2.971 1.00 0.00 O ATOM 1858 CB PRO A 127 3.069 -22.321 -0.033 1.00 0.00 C ATOM 1859 CG PRO A 127 1.986 -21.775 0.834 1.00 0.00 C ATOM 1860 CD PRO A 127 2.444 -20.407 1.256 1.00 0.00 C ATOM 0 HA PRO A 127 4.714 -21.171 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 127 2.678 -23.049 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 127 3.831 -22.830 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 127 1.042 -21.720 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 127 1.819 -22.415 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 127 1.605 -19.721 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 127 2.968 -20.436 2.212 1.00 0.00 H new ATOM 1868 N SER A 128 2.345 -19.781 -2.317 1.00 0.00 N ATOM 1869 CA SER A 128 1.674 -19.493 -3.579 1.00 0.00 C ATOM 1870 C SER A 128 2.404 -20.154 -4.745 1.00 0.00 C ATOM 1871 O SER A 128 1.818 -20.930 -5.499 1.00 0.00 O ATOM 1872 CB SER A 128 1.592 -17.983 -3.805 1.00 0.00 C ATOM 1873 OG SER A 128 1.220 -17.309 -2.615 1.00 0.00 O ATOM 0 H SER A 128 2.270 -19.039 -1.621 1.00 0.00 H new ATOM 0 HA SER A 128 0.664 -19.900 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.556 -17.611 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 128 0.867 -17.768 -4.590 1.00 0.00 H new ATOM 0 HG SER A 128 1.176 -16.345 -2.785 1.00 0.00 H new ATOM 1879 N SER A 129 3.688 -19.840 -4.885 1.00 0.00 N ATOM 1880 CA SER A 129 4.499 -20.399 -5.961 1.00 0.00 C ATOM 1881 C SER A 129 5.973 -20.431 -5.569 1.00 0.00 C ATOM 1882 O SER A 129 6.427 -19.631 -4.752 1.00 0.00 O ATOM 1883 CB SER A 129 4.317 -19.583 -7.242 1.00 0.00 C ATOM 1884 OG SER A 129 5.013 -20.174 -8.326 1.00 0.00 O ATOM 0 H SER A 129 4.189 -19.202 -4.267 1.00 0.00 H new ATOM 0 HA SER A 129 4.167 -21.421 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 129 3.256 -19.510 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.679 -18.567 -7.084 1.00 0.00 H new ATOM 0 HG SER A 129 4.880 -19.635 -9.133 1.00 0.00 H new ATOM 1890 N GLY A 130 6.716 -21.363 -6.160 1.00 0.00 N ATOM 1891 CA GLY A 130 8.131 -21.483 -5.861 1.00 0.00 C ATOM 1892 C GLY A 130 8.952 -21.845 -7.082 1.00 0.00 C ATOM 1893 O GLY A 130 10.177 -21.942 -7.008 1.00 0.00 O ATOM 0 H GLY A 130 6.363 -22.036 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.493 -20.541 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.274 -22.243 -5.093 1.00 0.00 H new TER 1897 GLY A 130