USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 5 TYR OH : rot 40:sc= 1.92! USER MOD Set 1.2: A 65 TYR OH : rot 115:sc= 1.52 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= -0.178 USER MOD Set 2.2: A 60 GLN : amide:sc= 0 X(o=-0.18,f=-0.27) USER MOD Set 3.1: A 12 SER OG : rot 180:sc= -1.74 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.0014) USER MOD Single : A 6 TYR OH : rot -37:sc= -4.67! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= -0.0186 (180deg=-0.0383) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.357) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.213) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -8.74! C(o=-8.7!,f=-7.4!) USER MOD Single : A 36 ASN : amide:sc= -6.23! C(o=-6.2!,f=-8.1!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0.0574 (180deg=-0.163) USER MOD Single : A 53 TYR OH : rot 114:sc= -0.919 USER MOD Single : A 57 THR OG1 : rot -36:sc= 0.479 USER MOD Single : A 61 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.121) USER MOD Single : A 67 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0373 K(o=-0.037,f=-1.2) USER MOD Single : A 75 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 71.420 -13.146 3.903 1.00 0.00 N ATOM 2 CA ALA A 1 70.125 -13.791 3.541 1.00 0.00 C ATOM 3 C ALA A 1 69.244 -12.805 2.770 1.00 0.00 C ATOM 4 O ALA A 1 68.258 -12.310 3.279 1.00 0.00 O ATOM 5 CB ALA A 1 69.475 -14.164 4.875 1.00 0.00 C ATOM 0 H1 ALA A 1 72.011 -13.823 4.426 1.00 0.00 H new ATOM 0 H2 ALA A 1 71.915 -12.851 3.037 1.00 0.00 H new ATOM 0 H3 ALA A 1 71.238 -12.313 4.499 1.00 0.00 H new ATOM 0 HA ALA A 1 70.263 -14.663 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 1 68.515 -14.645 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 1 70.126 -14.850 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 1 69.321 -13.263 5.469 1.00 0.00 H new ATOM 13 N LYS A 2 69.592 -12.516 1.545 1.00 0.00 N ATOM 14 CA LYS A 2 68.772 -11.563 0.744 1.00 0.00 C ATOM 15 C LYS A 2 68.509 -10.286 1.548 1.00 0.00 C ATOM 16 O LYS A 2 69.088 -10.069 2.594 1.00 0.00 O ATOM 17 CB LYS A 2 67.466 -12.307 0.468 1.00 0.00 C ATOM 18 CG LYS A 2 67.743 -13.510 -0.436 1.00 0.00 C ATOM 19 CD LYS A 2 67.461 -14.804 0.331 1.00 0.00 C ATOM 20 CE LYS A 2 66.420 -15.634 -0.426 1.00 0.00 C ATOM 21 NZ LYS A 2 65.102 -15.137 0.062 1.00 0.00 N ATOM 0 H LYS A 2 70.407 -12.898 1.065 1.00 0.00 H new ATOM 0 HA LYS A 2 69.269 -11.258 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 2 67.019 -12.639 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 2 66.748 -11.639 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 2 67.117 -13.460 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 2 68.779 -13.494 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 2 68.381 -15.376 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 2 67.098 -14.573 1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 2 66.517 -15.502 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 2 66.540 -16.698 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 64.337 -15.659 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 65.035 -15.282 1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 65.013 -14.123 -0.151 1.00 0.00 H new ATOM 35 N GLN A 3 67.640 -9.439 1.067 1.00 0.00 N ATOM 36 CA GLN A 3 67.340 -8.177 1.802 1.00 0.00 C ATOM 37 C GLN A 3 65.831 -8.032 2.010 1.00 0.00 C ATOM 38 O GLN A 3 65.068 -8.946 1.766 1.00 0.00 O ATOM 39 CB GLN A 3 67.860 -7.056 0.899 1.00 0.00 C ATOM 40 CG GLN A 3 69.386 -7.004 0.974 1.00 0.00 C ATOM 41 CD GLN A 3 69.878 -5.649 0.459 1.00 0.00 C ATOM 42 OE1 GLN A 3 70.645 -4.978 1.122 1.00 0.00 O ATOM 43 NE2 GLN A 3 69.467 -5.215 -0.701 1.00 0.00 N ATOM 0 H GLN A 3 67.124 -9.566 0.196 1.00 0.00 H new ATOM 0 HA GLN A 3 67.804 -8.157 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 3 67.542 -7.227 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.438 -6.100 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 3 69.715 -7.155 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 3 69.817 -7.809 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 3 68.824 -5.778 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 3 69.789 -4.313 -1.051 1.00 0.00 H new ATOM 52 N ASP A 4 65.396 -6.885 2.458 1.00 0.00 N ATOM 53 CA ASP A 4 63.934 -6.670 2.681 1.00 0.00 C ATOM 54 C ASP A 4 63.605 -5.196 2.617 1.00 0.00 C ATOM 55 O ASP A 4 63.835 -4.462 3.538 1.00 0.00 O ATOM 56 CB ASP A 4 63.590 -7.233 4.074 1.00 0.00 C ATOM 57 CG ASP A 4 64.827 -7.833 4.754 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.752 -7.084 5.024 1.00 0.00 O ATOM 59 OD2 ASP A 4 64.827 -9.030 4.991 1.00 0.00 O ATOM 0 H ASP A 4 65.990 -6.086 2.680 1.00 0.00 H new ATOM 0 HA ASP A 4 63.352 -7.175 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.179 -6.439 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.818 -7.997 3.979 1.00 0.00 H new ATOM 64 N TYR A 5 63.069 -4.783 1.514 1.00 0.00 N ATOM 65 CA TYR A 5 62.683 -3.347 1.320 1.00 0.00 C ATOM 66 C TYR A 5 62.232 -2.718 2.638 1.00 0.00 C ATOM 67 O TYR A 5 62.871 -1.826 3.157 1.00 0.00 O ATOM 68 CB TYR A 5 61.535 -3.326 0.300 1.00 0.00 C ATOM 69 CG TYR A 5 61.182 -4.717 -0.165 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.600 -5.628 0.720 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.461 -5.091 -1.480 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.292 -6.921 0.285 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.154 -6.383 -1.919 1.00 0.00 C ATOM 74 CZ TYR A 5 60.566 -7.299 -1.036 1.00 0.00 C ATOM 75 OH TYR A 5 60.260 -8.575 -1.467 1.00 0.00 O ATOM 0 H TYR A 5 62.873 -5.385 0.714 1.00 0.00 H new ATOM 0 HA TYR A 5 63.536 -2.769 0.964 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.658 -2.857 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.820 -2.716 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 5 60.388 -5.334 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.914 -4.383 -2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.843 -7.628 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.370 -6.674 -2.936 1.00 0.00 H new ATOM 0 HH TYR A 5 59.396 -8.848 -1.093 1.00 0.00 H new ATOM 85 N TYR A 6 61.147 -3.170 3.198 1.00 0.00 N ATOM 86 CA TYR A 6 60.699 -2.588 4.490 1.00 0.00 C ATOM 87 C TYR A 6 61.904 -2.470 5.417 1.00 0.00 C ATOM 88 O TYR A 6 62.015 -1.553 6.207 1.00 0.00 O ATOM 89 CB TYR A 6 59.663 -3.564 5.013 1.00 0.00 C ATOM 90 CG TYR A 6 58.377 -3.308 4.272 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.652 -2.141 4.528 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.913 -4.232 3.327 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.460 -1.896 3.842 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.720 -3.984 2.640 1.00 0.00 C ATOM 95 CZ TYR A 6 55.996 -2.816 2.901 1.00 0.00 C ATOM 96 OH TYR A 6 54.824 -2.570 2.228 1.00 0.00 O ATOM 0 H TYR A 6 60.556 -3.911 2.821 1.00 0.00 H new ATOM 0 HA TYR A 6 60.273 -1.589 4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.994 -4.591 4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.519 -3.431 6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 6 58.013 -1.429 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.475 -5.133 3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.898 -0.995 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.359 -4.693 1.910 1.00 0.00 H new ATOM 0 HH TYR A 6 54.183 -2.141 2.833 1.00 0.00 H new ATOM 106 N GLU A 7 62.837 -3.367 5.272 1.00 0.00 N ATOM 107 CA GLU A 7 64.083 -3.301 6.078 1.00 0.00 C ATOM 108 C GLU A 7 65.104 -2.449 5.316 1.00 0.00 C ATOM 109 O GLU A 7 65.932 -1.775 5.894 1.00 0.00 O ATOM 110 CB GLU A 7 64.564 -4.747 6.205 1.00 0.00 C ATOM 111 CG GLU A 7 65.751 -4.803 7.166 1.00 0.00 C ATOM 112 CD GLU A 7 65.863 -6.207 7.760 1.00 0.00 C ATOM 113 OE1 GLU A 7 64.846 -6.735 8.177 1.00 0.00 O ATOM 114 OE2 GLU A 7 66.965 -6.731 7.788 1.00 0.00 O ATOM 0 H GLU A 7 62.788 -4.151 4.622 1.00 0.00 H new ATOM 0 HA GLU A 7 63.937 -2.855 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.756 -5.380 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 7 64.854 -5.133 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 7 66.670 -4.545 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 7 65.623 -4.069 7.962 1.00 0.00 H new ATOM 121 N ILE A 8 65.032 -2.480 4.006 1.00 0.00 N ATOM 122 CA ILE A 8 65.970 -1.681 3.171 1.00 0.00 C ATOM 123 C ILE A 8 65.957 -0.232 3.643 1.00 0.00 C ATOM 124 O ILE A 8 66.981 0.382 3.867 1.00 0.00 O ATOM 125 CB ILE A 8 65.419 -1.768 1.760 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.687 -3.171 1.195 1.00 0.00 C ATOM 127 CG2 ILE A 8 66.102 -0.725 0.880 1.00 0.00 C ATOM 128 CD1 ILE A 8 67.171 -3.333 0.869 1.00 0.00 C ATOM 0 H ILE A 8 64.355 -3.032 3.480 1.00 0.00 H new ATOM 0 HA ILE A 8 66.995 -2.046 3.232 1.00 0.00 H new ATOM 0 HB ILE A 8 64.345 -1.580 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.381 -3.927 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.090 -3.330 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.706 -0.788 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.913 0.270 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.176 -0.911 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 8 67.349 -4.331 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.464 -2.588 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.760 -3.195 1.776 1.00 0.00 H new ATOM 140 N LEU A 9 64.781 0.302 3.810 1.00 0.00 N ATOM 141 CA LEU A 9 64.641 1.706 4.290 1.00 0.00 C ATOM 142 C LEU A 9 64.841 1.716 5.806 1.00 0.00 C ATOM 143 O LEU A 9 65.125 2.729 6.411 1.00 0.00 O ATOM 144 CB LEU A 9 63.206 2.081 3.913 1.00 0.00 C ATOM 145 CG LEU A 9 62.958 1.712 2.452 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.739 0.793 2.353 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.705 2.986 1.641 1.00 0.00 C ATOM 0 H LEU A 9 63.899 -0.179 3.633 1.00 0.00 H new ATOM 0 HA LEU A 9 65.361 2.404 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.499 1.558 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 9 63.045 3.148 4.063 1.00 0.00 H new ATOM 0 HG LEU A 9 63.832 1.195 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.564 0.531 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.920 -0.114 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.863 1.306 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.528 2.724 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.832 3.503 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.575 3.639 1.708 1.00 0.00 H new ATOM 159 N GLY A 10 64.701 0.575 6.421 1.00 0.00 N ATOM 160 CA GLY A 10 64.878 0.492 7.894 1.00 0.00 C ATOM 161 C GLY A 10 63.505 0.563 8.555 1.00 0.00 C ATOM 162 O GLY A 10 63.382 0.876 9.722 1.00 0.00 O ATOM 0 H GLY A 10 64.470 -0.307 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.379 -0.438 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.510 1.308 8.246 1.00 0.00 H new ATOM 166 N VAL A 11 62.468 0.280 7.814 1.00 0.00 N ATOM 167 CA VAL A 11 61.097 0.340 8.406 1.00 0.00 C ATOM 168 C VAL A 11 60.558 -1.062 8.678 1.00 0.00 C ATOM 169 O VAL A 11 61.195 -2.057 8.392 1.00 0.00 O ATOM 170 CB VAL A 11 60.182 1.020 7.376 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.458 2.186 8.038 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.960 1.545 6.174 1.00 0.00 C ATOM 0 H VAL A 11 62.508 0.011 6.831 1.00 0.00 H new ATOM 0 HA VAL A 11 61.130 0.887 9.348 1.00 0.00 H new ATOM 0 HB VAL A 11 59.474 0.271 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.808 2.671 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.859 1.817 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.189 2.905 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.272 2.017 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.696 2.276 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.469 0.717 5.680 1.00 0.00 H new ATOM 182 N SER A 12 59.370 -1.138 9.210 1.00 0.00 N ATOM 183 CA SER A 12 58.754 -2.461 9.484 1.00 0.00 C ATOM 184 C SER A 12 58.093 -2.986 8.214 1.00 0.00 C ATOM 185 O SER A 12 57.679 -2.227 7.362 1.00 0.00 O ATOM 186 CB SER A 12 57.711 -2.197 10.570 1.00 0.00 C ATOM 187 OG SER A 12 56.604 -1.508 10.005 1.00 0.00 O ATOM 0 H SER A 12 58.798 -0.334 9.467 1.00 0.00 H new ATOM 0 HA SER A 12 59.481 -3.208 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 12 57.381 -3.138 11.009 1.00 0.00 H new ATOM 0 HB3 SER A 12 58.149 -1.606 11.374 1.00 0.00 H new ATOM 0 HG SER A 12 55.934 -1.340 10.700 1.00 0.00 H new ATOM 193 N LYS A 13 57.990 -4.278 8.072 1.00 0.00 N ATOM 194 CA LYS A 13 57.353 -4.824 6.848 1.00 0.00 C ATOM 195 C LYS A 13 55.997 -4.159 6.624 1.00 0.00 C ATOM 196 O LYS A 13 55.459 -4.168 5.536 1.00 0.00 O ATOM 197 CB LYS A 13 57.210 -6.314 7.093 1.00 0.00 C ATOM 198 CG LYS A 13 56.194 -6.566 8.209 1.00 0.00 C ATOM 199 CD LYS A 13 56.879 -7.289 9.370 1.00 0.00 C ATOM 200 CE LYS A 13 57.492 -8.599 8.866 1.00 0.00 C ATOM 201 NZ LYS A 13 58.822 -8.684 9.532 1.00 0.00 N ATOM 0 H LYS A 13 58.317 -4.971 8.745 1.00 0.00 H new ATOM 0 HA LYS A 13 57.943 -4.633 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.889 -6.812 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.175 -6.740 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.774 -5.621 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.365 -7.165 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 13 57.654 -6.655 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.158 -7.493 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 13 56.866 -9.453 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 13 57.594 -8.595 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 59.303 -9.557 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 59.399 -7.862 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 58.694 -8.693 10.564 1.00 0.00 H new ATOM 215 N THR A 14 55.449 -3.572 7.650 1.00 0.00 N ATOM 216 CA THR A 14 54.137 -2.892 7.508 1.00 0.00 C ATOM 217 C THR A 14 54.313 -1.385 7.737 1.00 0.00 C ATOM 218 O THR A 14 53.353 -0.662 7.896 1.00 0.00 O ATOM 219 CB THR A 14 53.254 -3.515 8.592 1.00 0.00 C ATOM 220 OG1 THR A 14 53.555 -2.919 9.846 1.00 0.00 O ATOM 221 CG2 THR A 14 53.521 -5.022 8.664 1.00 0.00 C ATOM 0 H THR A 14 55.857 -3.535 8.584 1.00 0.00 H new ATOM 0 HA THR A 14 53.699 -3.014 6.517 1.00 0.00 H new ATOM 0 HB THR A 14 52.205 -3.344 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.989 -3.316 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.893 -5.466 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.291 -5.479 7.701 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.570 -5.195 8.906 1.00 0.00 H new ATOM 229 N ALA A 15 55.543 -0.925 7.757 1.00 0.00 N ATOM 230 CA ALA A 15 55.838 0.531 7.975 1.00 0.00 C ATOM 231 C ALA A 15 54.775 1.464 7.370 1.00 0.00 C ATOM 232 O ALA A 15 53.661 1.551 7.843 1.00 0.00 O ATOM 233 CB ALA A 15 57.187 0.721 7.300 1.00 0.00 C ATOM 0 H ALA A 15 56.370 -1.508 7.629 1.00 0.00 H new ATOM 0 HA ALA A 15 55.838 0.788 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.501 1.760 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.925 0.072 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.104 0.467 6.243 1.00 0.00 H new ATOM 239 N GLU A 16 55.130 2.191 6.350 1.00 0.00 N ATOM 240 CA GLU A 16 54.179 3.145 5.718 1.00 0.00 C ATOM 241 C GLU A 16 54.941 4.084 4.775 1.00 0.00 C ATOM 242 O GLU A 16 56.070 4.454 5.025 1.00 0.00 O ATOM 243 CB GLU A 16 53.558 3.929 6.873 1.00 0.00 C ATOM 244 CG GLU A 16 52.078 3.572 6.975 1.00 0.00 C ATOM 245 CD GLU A 16 51.465 4.266 8.194 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.821 3.898 9.301 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.650 5.152 7.999 1.00 0.00 O ATOM 0 H GLU A 16 56.055 2.164 5.920 1.00 0.00 H new ATOM 0 HA GLU A 16 53.416 2.639 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.068 3.692 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.677 5.000 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.556 3.879 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.959 2.492 7.061 1.00 0.00 H new ATOM 254 N GLU A 17 54.330 4.454 3.689 1.00 0.00 N ATOM 255 CA GLU A 17 55.001 5.356 2.700 1.00 0.00 C ATOM 256 C GLU A 17 55.642 6.575 3.381 1.00 0.00 C ATOM 257 O GLU A 17 56.543 7.182 2.842 1.00 0.00 O ATOM 258 CB GLU A 17 53.881 5.793 1.744 1.00 0.00 C ATOM 259 CG GLU A 17 53.097 6.966 2.345 1.00 0.00 C ATOM 260 CD GLU A 17 52.113 7.508 1.306 1.00 0.00 C ATOM 261 OE1 GLU A 17 52.432 7.450 0.129 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.058 7.974 1.704 1.00 0.00 O ATOM 0 H GLU A 17 53.384 4.170 3.436 1.00 0.00 H new ATOM 0 HA GLU A 17 55.815 4.847 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.306 6.085 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.209 4.956 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.559 6.640 3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.783 7.753 2.658 1.00 0.00 H new ATOM 269 N ARG A 18 55.179 6.957 4.541 1.00 0.00 N ATOM 270 CA ARG A 18 55.770 8.160 5.213 1.00 0.00 C ATOM 271 C ARG A 18 56.980 7.788 6.074 1.00 0.00 C ATOM 272 O ARG A 18 57.837 8.607 6.341 1.00 0.00 O ATOM 273 CB ARG A 18 54.651 8.734 6.083 1.00 0.00 C ATOM 274 CG ARG A 18 54.016 7.614 6.912 1.00 0.00 C ATOM 275 CD ARG A 18 53.873 8.064 8.368 1.00 0.00 C ATOM 276 NE ARG A 18 52.948 7.070 8.983 1.00 0.00 N ATOM 277 CZ ARG A 18 52.526 7.239 10.206 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.208 7.982 11.035 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.423 6.663 10.601 1.00 0.00 N ATOM 0 H ARG A 18 54.425 6.497 5.051 1.00 0.00 H new ATOM 0 HA ARG A 18 56.131 8.880 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.049 9.506 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.896 9.208 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.039 7.356 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.631 6.716 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.837 8.074 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.468 9.074 8.432 1.00 0.00 H new ATOM 0 HE ARG A 18 52.645 6.257 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.071 8.430 10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 52.878 8.114 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.891 6.081 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.093 6.795 11.557 1.00 0.00 H new ATOM 293 N GLU A 19 57.073 6.562 6.484 1.00 0.00 N ATOM 294 CA GLU A 19 58.245 6.135 7.299 1.00 0.00 C ATOM 295 C GLU A 19 59.242 5.467 6.361 1.00 0.00 C ATOM 296 O GLU A 19 60.416 5.349 6.653 1.00 0.00 O ATOM 297 CB GLU A 19 57.746 5.134 8.366 1.00 0.00 C ATOM 298 CG GLU A 19 56.233 4.891 8.258 1.00 0.00 C ATOM 299 CD GLU A 19 55.735 4.202 9.530 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.274 3.160 9.865 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.825 4.728 10.148 1.00 0.00 O ATOM 0 H GLU A 19 56.388 5.831 6.292 1.00 0.00 H new ATOM 0 HA GLU A 19 58.724 6.978 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.275 4.188 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.983 5.514 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.711 5.837 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.014 4.273 7.387 1.00 0.00 H new ATOM 308 N ILE A 20 58.776 5.060 5.210 1.00 0.00 N ATOM 309 CA ILE A 20 59.683 4.434 4.216 1.00 0.00 C ATOM 310 C ILE A 20 60.296 5.540 3.363 1.00 0.00 C ATOM 311 O ILE A 20 61.499 5.700 3.309 1.00 0.00 O ATOM 312 CB ILE A 20 58.789 3.475 3.409 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.358 2.061 3.523 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.725 3.878 1.933 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.508 1.242 4.496 1.00 0.00 C ATOM 0 H ILE A 20 57.802 5.136 4.918 1.00 0.00 H new ATOM 0 HA ILE A 20 60.516 3.882 4.652 1.00 0.00 H new ATOM 0 HB ILE A 20 57.778 3.518 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.370 1.583 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.390 2.101 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.086 3.180 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.316 4.885 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.728 3.857 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.916 0.234 4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.519 1.717 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.483 1.191 4.129 1.00 0.00 H new ATOM 327 N ARG A 21 59.477 6.338 2.736 1.00 0.00 N ATOM 328 CA ARG A 21 60.035 7.460 1.945 1.00 0.00 C ATOM 329 C ARG A 21 60.957 8.240 2.871 1.00 0.00 C ATOM 330 O ARG A 21 61.898 8.883 2.458 1.00 0.00 O ATOM 331 CB ARG A 21 58.824 8.310 1.543 1.00 0.00 C ATOM 332 CG ARG A 21 58.281 9.049 2.772 1.00 0.00 C ATOM 333 CD ARG A 21 59.095 10.322 3.012 1.00 0.00 C ATOM 334 NE ARG A 21 58.085 11.408 3.138 1.00 0.00 N ATOM 335 CZ ARG A 21 58.036 12.133 4.222 1.00 0.00 C ATOM 336 NH1 ARG A 21 58.915 13.079 4.413 1.00 0.00 N ATOM 337 NH2 ARG A 21 57.113 11.909 5.117 1.00 0.00 N ATOM 0 H ARG A 21 58.460 6.261 2.738 1.00 0.00 H new ATOM 0 HA ARG A 21 60.596 7.150 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.110 9.026 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.048 7.675 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.231 9.300 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.332 8.403 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.700 10.239 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.780 10.514 2.186 1.00 0.00 H new ATOM 0 HE ARG A 21 57.430 11.586 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 21 59.639 13.251 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 21 58.878 13.646 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 21 56.429 11.167 4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 21 57.076 12.476 5.964 1.00 0.00 H new ATOM 351 N LYS A 22 60.662 8.163 4.142 1.00 0.00 N ATOM 352 CA LYS A 22 61.463 8.868 5.172 1.00 0.00 C ATOM 353 C LYS A 22 62.764 8.109 5.471 1.00 0.00 C ATOM 354 O LYS A 22 63.833 8.684 5.526 1.00 0.00 O ATOM 355 CB LYS A 22 60.550 8.862 6.402 1.00 0.00 C ATOM 356 CG LYS A 22 61.375 9.153 7.661 1.00 0.00 C ATOM 357 CD LYS A 22 62.327 10.329 7.409 1.00 0.00 C ATOM 358 CE LYS A 22 61.545 11.642 7.491 1.00 0.00 C ATOM 359 NZ LYS A 22 62.577 12.691 7.717 1.00 0.00 N ATOM 0 H LYS A 22 59.878 7.626 4.513 1.00 0.00 H new ATOM 0 HA LYS A 22 61.760 9.869 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.766 9.611 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.056 7.895 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.711 9.385 8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.945 8.268 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.131 10.325 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.793 10.231 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.988 11.828 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.820 11.620 8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.123 13.627 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.052 12.520 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.278 12.660 6.949 1.00 0.00 H new ATOM 373 N ALA A 23 62.679 6.825 5.674 1.00 0.00 N ATOM 374 CA ALA A 23 63.903 6.030 5.982 1.00 0.00 C ATOM 375 C ALA A 23 64.971 6.283 4.923 1.00 0.00 C ATOM 376 O ALA A 23 66.133 6.472 5.224 1.00 0.00 O ATOM 377 CB ALA A 23 63.448 4.578 5.933 1.00 0.00 C ATOM 0 H ALA A 23 61.812 6.288 5.640 1.00 0.00 H new ATOM 0 HA ALA A 23 64.336 6.294 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.293 3.924 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.665 4.417 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.059 4.352 4.940 1.00 0.00 H new ATOM 383 N TYR A 24 64.574 6.308 3.685 1.00 0.00 N ATOM 384 CA TYR A 24 65.542 6.572 2.598 1.00 0.00 C ATOM 385 C TYR A 24 65.939 8.032 2.689 1.00 0.00 C ATOM 386 O TYR A 24 67.095 8.383 2.691 1.00 0.00 O ATOM 387 CB TYR A 24 64.762 6.290 1.314 1.00 0.00 C ATOM 388 CG TYR A 24 65.662 6.499 0.119 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.950 5.948 0.104 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.209 7.249 -0.973 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.782 6.149 -1.005 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.042 7.449 -2.080 1.00 0.00 C ATOM 393 CZ TYR A 24 67.328 6.899 -2.096 1.00 0.00 C ATOM 394 OH TYR A 24 68.149 7.098 -3.187 1.00 0.00 O ATOM 0 H TYR A 24 63.613 6.155 3.380 1.00 0.00 H new ATOM 0 HA TYR A 24 66.449 5.969 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.384 5.268 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.896 6.949 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.301 5.369 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.216 7.674 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.775 5.725 -1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.692 8.028 -2.922 1.00 0.00 H new ATOM 0 HH TYR A 24 67.679 7.639 -3.856 1.00 0.00 H new ATOM 404 N LYS A 25 64.964 8.878 2.803 1.00 0.00 N ATOM 405 CA LYS A 25 65.226 10.327 2.938 1.00 0.00 C ATOM 406 C LYS A 25 66.305 10.582 3.992 1.00 0.00 C ATOM 407 O LYS A 25 67.236 11.333 3.780 1.00 0.00 O ATOM 408 CB LYS A 25 63.892 10.868 3.422 1.00 0.00 C ATOM 409 CG LYS A 25 63.314 11.824 2.382 1.00 0.00 C ATOM 410 CD LYS A 25 61.876 11.415 2.078 1.00 0.00 C ATOM 411 CE LYS A 25 61.040 12.662 1.789 1.00 0.00 C ATOM 412 NZ LYS A 25 61.617 13.231 0.540 1.00 0.00 N ATOM 0 H LYS A 25 63.977 8.620 2.808 1.00 0.00 H new ATOM 0 HA LYS A 25 65.579 10.787 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.198 10.046 3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.022 11.385 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.344 12.848 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.913 11.798 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.852 10.742 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.455 10.870 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 25 59.988 12.410 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 25 61.098 13.375 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 60.929 13.876 0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.486 13.755 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.840 12.460 -0.122 1.00 0.00 H new ATOM 426 N ARG A 26 66.170 9.971 5.135 1.00 0.00 N ATOM 427 CA ARG A 26 67.164 10.178 6.226 1.00 0.00 C ATOM 428 C ARG A 26 68.575 9.779 5.778 1.00 0.00 C ATOM 429 O ARG A 26 69.515 10.539 5.908 1.00 0.00 O ATOM 430 CB ARG A 26 66.687 9.273 7.359 1.00 0.00 C ATOM 431 CG ARG A 26 65.382 9.828 7.929 1.00 0.00 C ATOM 432 CD ARG A 26 65.664 11.143 8.660 1.00 0.00 C ATOM 433 NE ARG A 26 65.242 10.898 10.066 1.00 0.00 N ATOM 434 CZ ARG A 26 65.877 11.476 11.048 1.00 0.00 C ATOM 435 NH1 ARG A 26 65.947 12.779 11.103 1.00 0.00 N ATOM 436 NH2 ARG A 26 66.446 10.753 11.973 1.00 0.00 N ATOM 0 H ARG A 26 65.408 9.332 5.363 1.00 0.00 H new ATOM 0 HA ARG A 26 67.226 11.225 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.535 8.258 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.445 9.218 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 26 64.663 9.992 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.936 9.107 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 26 66.720 11.407 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.106 11.968 8.218 1.00 0.00 H new ATOM 0 HE ARG A 26 64.456 10.278 10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 26 65.505 13.345 10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 26 66.443 13.231 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 26 66.394 9.735 11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 26 66.942 11.205 12.741 1.00 0.00 H new ATOM 450 N LEU A 27 68.737 8.596 5.257 1.00 0.00 N ATOM 451 CA LEU A 27 70.088 8.158 4.808 1.00 0.00 C ATOM 452 C LEU A 27 70.400 8.775 3.452 1.00 0.00 C ATOM 453 O LEU A 27 71.532 9.074 3.132 1.00 0.00 O ATOM 454 CB LEU A 27 70.010 6.630 4.715 1.00 0.00 C ATOM 455 CG LEU A 27 69.355 6.204 3.400 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.423 6.079 2.314 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.665 4.851 3.593 1.00 0.00 C ATOM 0 H LEU A 27 67.992 7.912 5.122 1.00 0.00 H new ATOM 0 HA LEU A 27 70.878 8.470 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.011 6.204 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.439 6.238 5.556 1.00 0.00 H new ATOM 0 HG LEU A 27 68.620 6.951 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.956 5.775 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.918 7.041 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.159 5.332 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.197 4.544 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.402 4.106 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.904 4.938 4.368 1.00 0.00 H new ATOM 469 N ALA A 28 69.391 8.961 2.657 1.00 0.00 N ATOM 470 CA ALA A 28 69.583 9.550 1.315 1.00 0.00 C ATOM 471 C ALA A 28 69.839 11.045 1.438 1.00 0.00 C ATOM 472 O ALA A 28 70.747 11.575 0.830 1.00 0.00 O ATOM 473 CB ALA A 28 68.271 9.262 0.592 1.00 0.00 C ATOM 0 H ALA A 28 68.426 8.725 2.887 1.00 0.00 H new ATOM 0 HA ALA A 28 70.438 9.139 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.317 9.664 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.109 8.185 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.448 9.731 1.131 1.00 0.00 H new ATOM 479 N MET A 29 69.080 11.734 2.244 1.00 0.00 N ATOM 480 CA MET A 29 69.354 13.183 2.397 1.00 0.00 C ATOM 481 C MET A 29 70.776 13.320 2.928 1.00 0.00 C ATOM 482 O MET A 29 71.457 14.299 2.699 1.00 0.00 O ATOM 483 CB MET A 29 68.325 13.708 3.401 1.00 0.00 C ATOM 484 CG MET A 29 68.690 13.244 4.811 1.00 0.00 C ATOM 485 SD MET A 29 67.336 13.643 5.945 1.00 0.00 S ATOM 486 CE MET A 29 68.305 14.619 7.120 1.00 0.00 C ATOM 0 H MET A 29 68.301 11.365 2.790 1.00 0.00 H new ATOM 0 HA MET A 29 69.276 13.745 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.291 14.797 3.364 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.330 13.349 3.137 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.878 12.170 4.815 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.609 13.730 5.139 1.00 0.00 H new ATOM 0 HE1 MET A 29 67.656 14.974 7.921 1.00 0.00 H new ATOM 0 HE2 MET A 29 69.097 14.000 7.542 1.00 0.00 H new ATOM 0 HE3 MET A 29 68.747 15.473 6.606 1.00 0.00 H new ATOM 496 N LYS A 30 71.234 12.304 3.612 1.00 0.00 N ATOM 497 CA LYS A 30 72.624 12.315 4.138 1.00 0.00 C ATOM 498 C LYS A 30 73.562 11.751 3.068 1.00 0.00 C ATOM 499 O LYS A 30 74.753 11.994 3.076 1.00 0.00 O ATOM 500 CB LYS A 30 72.594 11.405 5.367 1.00 0.00 C ATOM 501 CG LYS A 30 72.489 12.255 6.635 1.00 0.00 C ATOM 502 CD LYS A 30 71.539 11.578 7.626 1.00 0.00 C ATOM 503 CE LYS A 30 72.286 11.280 8.928 1.00 0.00 C ATOM 504 NZ LYS A 30 73.242 10.192 8.584 1.00 0.00 N ATOM 0 H LYS A 30 70.698 11.463 3.828 1.00 0.00 H new ATOM 0 HA LYS A 30 72.976 13.314 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.747 10.721 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.496 10.794 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.474 12.379 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.124 13.252 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.684 12.224 7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.149 10.654 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.809 12.164 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 30 71.599 10.968 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.318 9.531 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 72.900 9.682 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 74.177 10.602 8.383 1.00 0.00 H new ATOM 518 N TYR A 31 73.023 11.000 2.139 1.00 0.00 N ATOM 519 CA TYR A 31 73.872 10.419 1.057 1.00 0.00 C ATOM 520 C TYR A 31 73.695 11.205 -0.237 1.00 0.00 C ATOM 521 O TYR A 31 74.184 10.829 -1.284 1.00 0.00 O ATOM 522 CB TYR A 31 73.384 8.987 0.884 1.00 0.00 C ATOM 523 CG TYR A 31 74.281 8.069 1.671 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.661 8.417 2.973 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.738 6.878 1.104 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.499 7.573 3.708 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.578 6.032 1.837 1.00 0.00 C ATOM 528 CZ TYR A 31 75.959 6.379 3.139 1.00 0.00 C ATOM 529 OH TYR A 31 76.786 5.544 3.861 1.00 0.00 O ATOM 0 H TYR A 31 72.032 10.765 2.085 1.00 0.00 H new ATOM 0 HA TYR A 31 74.932 10.457 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.354 8.895 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.393 8.710 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.306 9.339 3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 31 74.443 6.610 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 31 75.791 7.841 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.933 5.111 1.398 1.00 0.00 H new ATOM 0 HH TYR A 31 77.012 4.759 3.320 1.00 0.00 H new ATOM 539 N HIS A 32 73.004 12.295 -0.148 1.00 0.00 N ATOM 540 CA HIS A 32 72.766 13.178 -1.321 1.00 0.00 C ATOM 541 C HIS A 32 74.109 13.588 -1.951 1.00 0.00 C ATOM 542 O HIS A 32 75.041 12.814 -1.907 1.00 0.00 O ATOM 543 CB HIS A 32 72.001 14.315 -0.661 1.00 0.00 C ATOM 544 CG HIS A 32 72.928 15.027 0.285 1.00 0.00 C ATOM 545 ND1 HIS A 32 72.920 16.399 0.444 1.00 0.00 N ATOM 546 CD2 HIS A 32 73.897 14.554 1.138 1.00 0.00 C ATOM 547 CE1 HIS A 32 73.856 16.708 1.360 1.00 0.00 C ATOM 548 NE2 HIS A 32 74.481 15.619 1.816 1.00 0.00 N ATOM 0 H HIS A 32 72.578 12.626 0.718 1.00 0.00 H new ATOM 0 HA HIS A 32 72.220 12.745 -2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 32 71.625 15.006 -1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.135 13.928 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.164 13.515 1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 32 74.075 17.714 1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.226 15.577 2.511 1.00 0.00 H new ATOM 556 N PRO A 33 74.211 14.754 -2.548 1.00 0.00 N ATOM 557 CA PRO A 33 75.497 15.121 -3.181 1.00 0.00 C ATOM 558 C PRO A 33 76.589 15.336 -2.130 1.00 0.00 C ATOM 559 O PRO A 33 77.285 16.331 -2.123 1.00 0.00 O ATOM 560 CB PRO A 33 75.176 16.387 -3.966 1.00 0.00 C ATOM 561 CG PRO A 33 73.974 16.959 -3.300 1.00 0.00 C ATOM 562 CD PRO A 33 73.212 15.821 -2.694 1.00 0.00 C ATOM 0 HA PRO A 33 75.893 14.339 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.011 17.088 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 33 74.977 16.162 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.265 17.677 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO A 33 73.355 17.495 -4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 33 72.782 16.098 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 33 72.387 15.509 -3.334 1.00 0.00 H new ATOM 570 N ASP A 34 76.761 14.370 -1.270 1.00 0.00 N ATOM 571 CA ASP A 34 77.825 14.446 -0.236 1.00 0.00 C ATOM 572 C ASP A 34 78.920 13.463 -0.651 1.00 0.00 C ATOM 573 O ASP A 34 80.098 13.752 -0.607 1.00 0.00 O ATOM 574 CB ASP A 34 77.132 14.028 1.079 1.00 0.00 C ATOM 575 CG ASP A 34 77.800 12.790 1.695 1.00 0.00 C ATOM 576 OD1 ASP A 34 78.847 12.946 2.301 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.251 11.711 1.548 1.00 0.00 O ATOM 0 H ASP A 34 76.199 13.519 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 34 78.282 15.428 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.168 14.854 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.080 13.818 0.887 1.00 0.00 H new ATOM 582 N ARG A 35 78.507 12.299 -1.073 1.00 0.00 N ATOM 583 CA ARG A 35 79.467 11.264 -1.523 1.00 0.00 C ATOM 584 C ARG A 35 78.924 10.580 -2.785 1.00 0.00 C ATOM 585 O ARG A 35 79.673 10.080 -3.600 1.00 0.00 O ATOM 586 CB ARG A 35 79.536 10.270 -0.365 1.00 0.00 C ATOM 587 CG ARG A 35 78.133 9.720 -0.092 1.00 0.00 C ATOM 588 CD ARG A 35 77.807 8.633 -1.112 1.00 0.00 C ATOM 589 NE ARG A 35 77.673 7.383 -0.318 1.00 0.00 N ATOM 590 CZ ARG A 35 78.630 6.497 -0.338 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.948 5.911 -1.459 1.00 0.00 N ATOM 592 NH2 ARG A 35 79.272 6.205 0.759 1.00 0.00 N ATOM 0 H ARG A 35 77.527 12.022 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 35 80.448 11.672 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.218 9.456 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 35 79.928 10.758 0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.080 9.314 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.398 10.523 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.886 8.860 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.597 8.543 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 35 76.835 7.219 0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 35 78.449 6.146 -2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.696 5.218 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 35 79.026 6.670 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.020 5.512 0.743 1.00 0.00 H new ATOM 606 N ASN A 36 77.619 10.543 -2.944 1.00 0.00 N ATOM 607 CA ASN A 36 77.028 9.881 -4.137 1.00 0.00 C ATOM 608 C ASN A 36 77.770 10.296 -5.407 1.00 0.00 C ATOM 609 O ASN A 36 77.760 9.595 -6.398 1.00 0.00 O ATOM 610 CB ASN A 36 75.583 10.370 -4.168 1.00 0.00 C ATOM 611 CG ASN A 36 74.667 9.298 -3.578 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.082 8.177 -3.366 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.428 9.598 -3.300 1.00 0.00 N ATOM 0 H ASN A 36 76.944 10.945 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 36 77.095 8.794 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 36 75.489 11.296 -3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.286 10.593 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 36 72.808 8.891 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.079 10.540 -3.478 1.00 0.00 H new ATOM 620 N GLN A 37 78.419 11.426 -5.388 1.00 0.00 N ATOM 621 CA GLN A 37 79.161 11.863 -6.604 1.00 0.00 C ATOM 622 C GLN A 37 80.275 10.861 -6.904 1.00 0.00 C ATOM 623 O GLN A 37 80.838 10.841 -7.982 1.00 0.00 O ATOM 624 CB GLN A 37 79.738 13.237 -6.258 1.00 0.00 C ATOM 625 CG GLN A 37 78.677 14.076 -5.541 1.00 0.00 C ATOM 626 CD GLN A 37 78.591 15.460 -6.186 1.00 0.00 C ATOM 627 OE1 GLN A 37 79.443 16.299 -5.968 1.00 0.00 O ATOM 628 NE2 GLN A 37 77.591 15.736 -6.979 1.00 0.00 N ATOM 0 H GLN A 37 78.468 12.061 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 37 78.525 11.916 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 37 80.616 13.124 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.064 13.744 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 37 77.709 13.578 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 37 78.928 14.172 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 37 76.876 15.032 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 37 77.525 16.656 -7.415 1.00 0.00 H new ATOM 637 N GLY A 38 80.584 10.021 -5.957 1.00 0.00 N ATOM 638 CA GLY A 38 81.645 9.000 -6.173 1.00 0.00 C ATOM 639 C GLY A 38 81.135 7.661 -5.645 1.00 0.00 C ATOM 640 O GLY A 38 81.898 6.791 -5.274 1.00 0.00 O ATOM 0 H GLY A 38 80.144 9.998 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 38 81.888 8.923 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.560 9.288 -5.656 1.00 0.00 H new ATOM 644 N ASP A 39 79.839 7.501 -5.601 1.00 0.00 N ATOM 645 CA ASP A 39 79.248 6.227 -5.090 1.00 0.00 C ATOM 646 C ASP A 39 80.065 5.016 -5.550 1.00 0.00 C ATOM 647 O ASP A 39 80.124 4.698 -6.722 1.00 0.00 O ATOM 648 CB ASP A 39 77.840 6.176 -5.682 1.00 0.00 C ATOM 649 CG ASP A 39 77.877 6.614 -7.149 1.00 0.00 C ATOM 650 OD1 ASP A 39 78.601 5.997 -7.914 1.00 0.00 O ATOM 651 OD2 ASP A 39 77.180 7.558 -7.481 1.00 0.00 O ATOM 0 H ASP A 39 79.160 8.201 -5.898 1.00 0.00 H new ATOM 0 HA ASP A 39 79.240 6.197 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.440 5.165 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 39 77.174 6.827 -5.116 1.00 0.00 H new ATOM 656 N LYS A 40 80.682 4.330 -4.629 1.00 0.00 N ATOM 657 CA LYS A 40 81.482 3.130 -4.990 1.00 0.00 C ATOM 658 C LYS A 40 80.588 1.896 -4.986 1.00 0.00 C ATOM 659 O LYS A 40 80.357 1.310 -3.954 1.00 0.00 O ATOM 660 CB LYS A 40 82.555 3.020 -3.907 1.00 0.00 C ATOM 661 CG LYS A 40 83.899 2.684 -4.555 1.00 0.00 C ATOM 662 CD LYS A 40 85.004 3.516 -3.901 1.00 0.00 C ATOM 663 CE LYS A 40 85.166 4.839 -4.654 1.00 0.00 C ATOM 664 NZ LYS A 40 86.269 4.597 -5.625 1.00 0.00 N ATOM 0 H LYS A 40 80.665 4.552 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 40 81.923 3.208 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 40 82.629 3.958 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 40 82.283 2.248 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 40 84.114 1.621 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 40 83.860 2.889 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 40 84.758 3.708 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 40 85.943 2.963 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 40 84.244 5.118 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 40 85.412 5.654 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 86.439 5.460 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 87.135 4.340 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 86.004 3.821 -6.265 1.00 0.00 H new ATOM 678 N GLU A 41 80.091 1.529 -6.140 1.00 0.00 N ATOM 679 CA GLU A 41 79.187 0.329 -6.309 1.00 0.00 C ATOM 680 C GLU A 41 77.987 0.321 -5.335 1.00 0.00 C ATOM 681 O GLU A 41 76.876 0.043 -5.741 1.00 0.00 O ATOM 682 CB GLU A 41 80.074 -0.913 -6.138 1.00 0.00 C ATOM 683 CG GLU A 41 80.563 -1.034 -4.700 1.00 0.00 C ATOM 684 CD GLU A 41 81.042 -2.464 -4.439 1.00 0.00 C ATOM 685 OE1 GLU A 41 82.089 -2.820 -4.953 1.00 0.00 O ATOM 686 OE2 GLU A 41 80.351 -3.177 -3.731 1.00 0.00 O ATOM 0 H GLU A 41 80.278 2.026 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 41 78.725 0.352 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.513 -1.807 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.927 -0.852 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.375 -0.329 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.760 -0.777 -4.009 1.00 0.00 H new ATOM 693 N ALA A 42 78.167 0.630 -4.074 1.00 0.00 N ATOM 694 CA ALA A 42 77.007 0.640 -3.140 1.00 0.00 C ATOM 695 C ALA A 42 75.913 1.536 -3.712 1.00 0.00 C ATOM 696 O ALA A 42 74.770 1.472 -3.307 1.00 0.00 O ATOM 697 CB ALA A 42 77.551 1.222 -1.834 1.00 0.00 C ATOM 0 H ALA A 42 79.065 0.874 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 42 76.577 -0.350 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.753 1.262 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.359 0.591 -1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.930 2.228 -2.014 1.00 0.00 H new ATOM 703 N GLU A 43 76.272 2.370 -4.656 1.00 0.00 N ATOM 704 CA GLU A 43 75.268 3.287 -5.283 1.00 0.00 C ATOM 705 C GLU A 43 73.913 2.622 -5.372 1.00 0.00 C ATOM 706 O GLU A 43 72.931 3.095 -4.844 1.00 0.00 O ATOM 707 CB GLU A 43 75.746 3.510 -6.710 1.00 0.00 C ATOM 708 CG GLU A 43 74.836 4.538 -7.389 1.00 0.00 C ATOM 709 CD GLU A 43 75.659 5.389 -8.357 1.00 0.00 C ATOM 710 OE1 GLU A 43 76.686 4.910 -8.811 1.00 0.00 O ATOM 711 OE2 GLU A 43 75.249 6.506 -8.628 1.00 0.00 O ATOM 0 H GLU A 43 77.220 2.456 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 43 75.178 4.203 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.777 3.863 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.730 2.571 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 43 74.034 4.031 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 43 74.365 5.174 -6.639 1.00 0.00 H new ATOM 718 N ALA A 44 73.850 1.543 -6.085 1.00 0.00 N ATOM 719 CA ALA A 44 72.553 0.870 -6.261 1.00 0.00 C ATOM 720 C ALA A 44 71.839 0.722 -4.918 1.00 0.00 C ATOM 721 O ALA A 44 70.651 0.938 -4.809 1.00 0.00 O ATOM 722 CB ALA A 44 72.875 -0.494 -6.872 1.00 0.00 C ATOM 0 H ALA A 44 74.642 1.101 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 44 71.883 1.441 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.950 -1.049 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.382 -0.354 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.522 -1.052 -6.196 1.00 0.00 H new ATOM 728 N LYS A 45 72.530 0.371 -3.882 1.00 0.00 N ATOM 729 CA LYS A 45 71.820 0.249 -2.590 1.00 0.00 C ATOM 730 C LYS A 45 71.142 1.581 -2.272 1.00 0.00 C ATOM 731 O LYS A 45 70.235 1.648 -1.472 1.00 0.00 O ATOM 732 CB LYS A 45 72.877 -0.071 -1.541 1.00 0.00 C ATOM 733 CG LYS A 45 72.253 0.127 -0.158 1.00 0.00 C ATOM 734 CD LYS A 45 73.192 -0.434 0.912 1.00 0.00 C ATOM 735 CE LYS A 45 72.488 -1.560 1.672 1.00 0.00 C ATOM 736 NZ LYS A 45 71.846 -0.895 2.841 1.00 0.00 N ATOM 0 H LYS A 45 73.529 0.168 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 45 71.057 -0.529 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 45 73.229 -1.096 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.743 0.579 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 72.071 1.187 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.287 -0.375 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 45 74.105 -0.809 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.486 0.356 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.748 -2.056 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.197 -2.323 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 71.343 -1.605 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.576 -0.437 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.171 -0.179 2.505 1.00 0.00 H new ATOM 750 N PHE A 46 71.575 2.646 -2.897 1.00 0.00 N ATOM 751 CA PHE A 46 70.949 3.970 -2.622 1.00 0.00 C ATOM 752 C PHE A 46 69.581 4.060 -3.294 1.00 0.00 C ATOM 753 O PHE A 46 68.597 4.362 -2.651 1.00 0.00 O ATOM 754 CB PHE A 46 71.907 5.021 -3.192 1.00 0.00 C ATOM 755 CG PHE A 46 73.248 4.938 -2.491 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.397 4.163 -1.331 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.345 5.643 -3.002 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.639 4.095 -0.688 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.586 5.575 -2.357 1.00 0.00 C ATOM 760 CZ PHE A 46 75.732 4.801 -1.201 1.00 0.00 C ATOM 0 H PHE A 46 72.331 2.655 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 46 70.789 4.124 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 46 72.037 4.863 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.483 6.017 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.553 3.618 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.234 6.240 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.753 3.497 0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.430 6.120 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.690 4.749 -0.704 1.00 0.00 H new ATOM 770 N LYS A 47 69.475 3.773 -4.565 1.00 0.00 N ATOM 771 CA LYS A 47 68.111 3.835 -5.169 1.00 0.00 C ATOM 772 C LYS A 47 67.450 2.474 -4.991 1.00 0.00 C ATOM 773 O LYS A 47 66.244 2.342 -5.053 1.00 0.00 O ATOM 774 CB LYS A 47 68.236 4.235 -6.654 1.00 0.00 C ATOM 775 CG LYS A 47 69.563 3.779 -7.253 1.00 0.00 C ATOM 776 CD LYS A 47 69.695 2.271 -7.099 1.00 0.00 C ATOM 777 CE LYS A 47 70.099 1.640 -8.435 1.00 0.00 C ATOM 778 NZ LYS A 47 68.833 1.089 -8.996 1.00 0.00 N ATOM 0 H LYS A 47 70.238 3.509 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 47 67.489 4.585 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.413 3.798 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.148 5.317 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.613 4.054 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 47 70.392 4.281 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.440 2.039 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.750 1.848 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.539 2.379 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.843 0.856 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.027 0.639 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.441 0.383 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.147 1.860 -9.126 1.00 0.00 H new ATOM 792 N GLU A 48 68.233 1.463 -4.713 1.00 0.00 N ATOM 793 CA GLU A 48 67.640 0.125 -4.467 1.00 0.00 C ATOM 794 C GLU A 48 66.566 0.322 -3.420 1.00 0.00 C ATOM 795 O GLU A 48 65.524 -0.299 -3.427 1.00 0.00 O ATOM 796 CB GLU A 48 68.772 -0.719 -3.886 1.00 0.00 C ATOM 797 CG GLU A 48 69.576 -1.358 -5.013 1.00 0.00 C ATOM 798 CD GLU A 48 69.077 -2.782 -5.257 1.00 0.00 C ATOM 799 OE1 GLU A 48 69.236 -3.606 -4.370 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.543 -3.027 -6.326 1.00 0.00 O ATOM 0 H GLU A 48 69.250 1.510 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 48 67.218 -0.344 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.422 -0.097 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.363 -1.492 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.478 -0.767 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.635 -1.372 -4.755 1.00 0.00 H new ATOM 807 N ILE A 49 66.836 1.229 -2.528 1.00 0.00 N ATOM 808 CA ILE A 49 65.862 1.546 -1.459 1.00 0.00 C ATOM 809 C ILE A 49 64.629 2.174 -2.091 1.00 0.00 C ATOM 810 O ILE A 49 63.506 1.862 -1.753 1.00 0.00 O ATOM 811 CB ILE A 49 66.576 2.563 -0.582 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.891 1.965 -0.096 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.700 2.921 0.615 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.903 3.082 0.153 1.00 0.00 C ATOM 0 H ILE A 49 67.701 1.769 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 49 65.542 0.671 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 49 66.774 3.467 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.727 1.398 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.280 1.267 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.217 3.650 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.760 3.346 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.496 2.023 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.842 2.651 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.076 3.630 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.514 3.763 0.910 1.00 0.00 H new ATOM 826 N LYS A 50 64.846 3.061 -3.022 1.00 0.00 N ATOM 827 CA LYS A 50 63.700 3.721 -3.702 1.00 0.00 C ATOM 828 C LYS A 50 62.791 2.653 -4.316 1.00 0.00 C ATOM 829 O LYS A 50 61.608 2.858 -4.500 1.00 0.00 O ATOM 830 CB LYS A 50 64.330 4.591 -4.790 1.00 0.00 C ATOM 831 CG LYS A 50 63.230 5.326 -5.558 1.00 0.00 C ATOM 832 CD LYS A 50 63.397 5.067 -7.056 1.00 0.00 C ATOM 833 CE LYS A 50 62.031 4.766 -7.677 1.00 0.00 C ATOM 834 NZ LYS A 50 61.918 3.280 -7.665 1.00 0.00 N ATOM 0 H LYS A 50 65.769 3.357 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 50 63.089 4.315 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.018 5.309 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.913 3.973 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.249 4.985 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.282 6.396 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.844 5.936 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.075 4.229 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.227 5.227 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.964 5.158 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.100 2.989 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.784 2.863 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.790 2.949 -6.687 1.00 0.00 H new ATOM 848 N GLU A 51 63.341 1.508 -4.624 1.00 0.00 N ATOM 849 CA GLU A 51 62.515 0.417 -5.213 1.00 0.00 C ATOM 850 C GLU A 51 61.506 -0.077 -4.177 1.00 0.00 C ATOM 851 O GLU A 51 60.372 -0.376 -4.490 1.00 0.00 O ATOM 852 CB GLU A 51 63.509 -0.692 -5.560 1.00 0.00 C ATOM 853 CG GLU A 51 62.907 -1.600 -6.633 1.00 0.00 C ATOM 854 CD GLU A 51 63.861 -1.682 -7.825 1.00 0.00 C ATOM 855 OE1 GLU A 51 63.771 -0.827 -8.691 1.00 0.00 O ATOM 856 OE2 GLU A 51 64.667 -2.598 -7.852 1.00 0.00 O ATOM 0 H GLU A 51 64.327 1.283 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 51 61.953 0.744 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.443 -0.259 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.748 -1.273 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.731 -2.595 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.940 -1.211 -6.953 1.00 0.00 H new ATOM 863 N ALA A 52 61.912 -0.152 -2.939 1.00 0.00 N ATOM 864 CA ALA A 52 60.984 -0.611 -1.867 1.00 0.00 C ATOM 865 C ALA A 52 59.602 0.000 -2.082 1.00 0.00 C ATOM 866 O ALA A 52 58.595 -0.568 -1.709 1.00 0.00 O ATOM 867 CB ALA A 52 61.615 -0.095 -0.575 1.00 0.00 C ATOM 0 H ALA A 52 62.852 0.086 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 52 60.849 -1.693 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.997 -0.387 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.612 -0.521 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.687 0.992 -0.614 1.00 0.00 H new ATOM 873 N TYR A 53 59.545 1.149 -2.694 1.00 0.00 N ATOM 874 CA TYR A 53 58.226 1.791 -2.942 1.00 0.00 C ATOM 875 C TYR A 53 57.378 0.878 -3.818 1.00 0.00 C ATOM 876 O TYR A 53 56.172 0.833 -3.704 1.00 0.00 O ATOM 877 CB TYR A 53 58.554 3.108 -3.647 1.00 0.00 C ATOM 878 CG TYR A 53 59.468 3.950 -2.771 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.838 3.506 -1.488 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.955 5.173 -3.247 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.687 4.283 -0.693 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.804 5.949 -2.446 1.00 0.00 C ATOM 883 CZ TYR A 53 61.169 5.503 -1.171 1.00 0.00 C ATOM 884 OH TYR A 53 62.007 6.268 -0.385 1.00 0.00 O ATOM 0 H TYR A 53 60.354 1.670 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 53 57.655 1.969 -2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.036 2.908 -4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.636 3.655 -3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.466 2.563 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.677 5.519 -4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.970 3.939 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.177 6.893 -2.814 1.00 0.00 H new ATOM 0 HH TYR A 53 62.896 6.307 -0.796 1.00 0.00 H new ATOM 894 N GLU A 54 57.997 0.105 -4.659 1.00 0.00 N ATOM 895 CA GLU A 54 57.203 -0.834 -5.490 1.00 0.00 C ATOM 896 C GLU A 54 56.540 -1.824 -4.551 1.00 0.00 C ATOM 897 O GLU A 54 55.644 -2.555 -4.924 1.00 0.00 O ATOM 898 CB GLU A 54 58.198 -1.557 -6.399 1.00 0.00 C ATOM 899 CG GLU A 54 59.241 -0.572 -6.906 1.00 0.00 C ATOM 900 CD GLU A 54 59.283 -0.604 -8.434 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.756 -1.545 -9.002 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.844 0.314 -9.010 1.00 0.00 O ATOM 0 H GLU A 54 59.006 0.082 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 54 56.440 -0.332 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.683 -2.366 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.673 -2.011 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 59.003 0.434 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 54 60.221 -0.825 -6.501 1.00 0.00 H new ATOM 909 N VAL A 55 56.989 -1.860 -3.323 1.00 0.00 N ATOM 910 CA VAL A 55 56.395 -2.808 -2.368 1.00 0.00 C ATOM 911 C VAL A 55 55.520 -2.070 -1.335 1.00 0.00 C ATOM 912 O VAL A 55 54.376 -2.401 -1.126 1.00 0.00 O ATOM 913 CB VAL A 55 57.591 -3.508 -1.696 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.554 -3.313 -0.180 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.530 -5.000 -1.996 1.00 0.00 C ATOM 0 H VAL A 55 57.737 -1.273 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 55 55.737 -3.526 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 55 58.511 -3.073 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.408 -3.816 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.596 -2.249 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.631 -3.735 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.374 -5.501 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.599 -5.412 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.573 -5.156 -3.074 1.00 0.00 H new ATOM 925 N LEU A 56 56.053 -1.107 -0.636 1.00 0.00 N ATOM 926 CA LEU A 56 55.201 -0.442 0.399 1.00 0.00 C ATOM 927 C LEU A 56 54.387 0.751 -0.138 1.00 0.00 C ATOM 928 O LEU A 56 53.469 1.201 0.517 1.00 0.00 O ATOM 929 CB LEU A 56 56.129 -0.076 1.572 1.00 0.00 C ATOM 930 CG LEU A 56 56.861 1.242 1.371 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.530 1.255 0.014 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.880 2.406 1.498 1.00 0.00 C ATOM 0 H LEU A 56 57.007 -0.758 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 56 54.423 -1.128 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.541 -0.021 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.860 -0.872 1.710 1.00 0.00 H new ATOM 0 HG LEU A 56 57.628 1.350 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.053 2.201 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 58.244 0.434 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.776 1.140 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 56.411 3.347 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 56 55.101 2.309 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.427 2.394 2.490 1.00 0.00 H new ATOM 944 N THR A 57 54.650 1.250 -1.319 1.00 0.00 N ATOM 945 CA THR A 57 53.795 2.376 -1.816 1.00 0.00 C ATOM 946 C THR A 57 52.739 1.824 -2.777 1.00 0.00 C ATOM 947 O THR A 57 52.363 2.458 -3.743 1.00 0.00 O ATOM 948 CB THR A 57 54.720 3.372 -2.527 1.00 0.00 C ATOM 949 OG1 THR A 57 55.127 2.845 -3.779 1.00 0.00 O ATOM 950 CG2 THR A 57 55.943 3.649 -1.658 1.00 0.00 C ATOM 0 H THR A 57 55.394 0.941 -1.945 1.00 0.00 H new ATOM 0 HA THR A 57 53.274 2.874 -0.998 1.00 0.00 H new ATOM 0 HB THR A 57 54.181 4.304 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.252 1.876 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.598 4.357 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.624 4.070 -0.704 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.482 2.718 -1.481 1.00 0.00 H new ATOM 958 N ASP A 58 52.252 0.640 -2.504 1.00 0.00 N ATOM 959 CA ASP A 58 51.212 0.021 -3.376 1.00 0.00 C ATOM 960 C ASP A 58 50.258 -0.791 -2.527 1.00 0.00 C ATOM 961 O ASP A 58 50.634 -1.734 -1.861 1.00 0.00 O ATOM 962 CB ASP A 58 51.972 -0.869 -4.358 1.00 0.00 C ATOM 963 CG ASP A 58 51.703 -0.400 -5.789 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.775 0.368 -5.978 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.432 -0.819 -6.674 1.00 0.00 O ATOM 0 H ASP A 58 52.535 0.071 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 58 50.617 0.764 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.041 -0.831 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.660 -1.907 -4.240 1.00 0.00 H new ATOM 970 N SER A 59 49.024 -0.399 -2.531 1.00 0.00 N ATOM 971 CA SER A 59 48.022 -1.100 -1.707 1.00 0.00 C ATOM 972 C SER A 59 48.181 -2.621 -1.805 1.00 0.00 C ATOM 973 O SER A 59 48.132 -3.319 -0.812 1.00 0.00 O ATOM 974 CB SER A 59 46.665 -0.658 -2.255 1.00 0.00 C ATOM 975 OG SER A 59 46.497 -1.178 -3.567 1.00 0.00 O ATOM 0 H SER A 59 48.665 0.385 -3.076 1.00 0.00 H new ATOM 0 HA SER A 59 48.134 -0.855 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 59 45.865 -1.012 -1.606 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.604 0.430 -2.272 1.00 0.00 H new ATOM 0 HG SER A 59 45.627 -0.898 -3.921 1.00 0.00 H new ATOM 981 N GLN A 60 48.361 -3.147 -2.984 1.00 0.00 N ATOM 982 CA GLN A 60 48.509 -4.627 -3.119 1.00 0.00 C ATOM 983 C GLN A 60 49.867 -5.084 -2.573 1.00 0.00 C ATOM 984 O GLN A 60 50.008 -6.177 -2.060 1.00 0.00 O ATOM 985 CB GLN A 60 48.409 -4.907 -4.620 1.00 0.00 C ATOM 986 CG GLN A 60 49.390 -4.014 -5.383 1.00 0.00 C ATOM 987 CD GLN A 60 48.650 -3.275 -6.499 1.00 0.00 C ATOM 988 OE1 GLN A 60 48.286 -2.126 -6.346 1.00 0.00 O ATOM 989 NE2 GLN A 60 48.407 -3.891 -7.625 1.00 0.00 N ATOM 0 H GLN A 60 48.412 -2.622 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 60 47.748 -5.165 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 60 48.629 -5.956 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 60 47.392 -4.723 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.851 -3.298 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 60 50.195 -4.617 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 60 48.712 -4.856 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 60 47.912 -3.407 -8.374 1.00 0.00 H new ATOM 998 N LYS A 61 50.864 -4.254 -2.685 1.00 0.00 N ATOM 999 CA LYS A 61 52.219 -4.622 -2.185 1.00 0.00 C ATOM 1000 C LYS A 61 52.308 -4.478 -0.666 1.00 0.00 C ATOM 1001 O LYS A 61 52.658 -5.409 0.031 1.00 0.00 O ATOM 1002 CB LYS A 61 53.155 -3.641 -2.872 1.00 0.00 C ATOM 1003 CG LYS A 61 53.026 -3.757 -4.388 1.00 0.00 C ATOM 1004 CD LYS A 61 53.677 -5.057 -4.863 1.00 0.00 C ATOM 1005 CE LYS A 61 52.766 -5.744 -5.882 1.00 0.00 C ATOM 1006 NZ LYS A 61 52.861 -4.905 -7.109 1.00 0.00 N ATOM 0 H LYS A 61 50.799 -3.327 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 61 52.467 -5.661 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.921 -2.624 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.184 -3.839 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.975 -3.739 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.503 -2.903 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 54.648 -4.847 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 53.854 -5.718 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 61 53.091 -6.766 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 61 51.739 -5.799 -5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 52.591 -5.471 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.221 -4.090 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 53.838 -4.567 -7.224 1.00 0.00 H new ATOM 1020 N ARG A 62 52.010 -3.324 -0.143 1.00 0.00 N ATOM 1021 CA ARG A 62 52.101 -3.147 1.332 1.00 0.00 C ATOM 1022 C ARG A 62 51.042 -3.992 2.034 1.00 0.00 C ATOM 1023 O ARG A 62 51.147 -4.294 3.207 1.00 0.00 O ATOM 1024 CB ARG A 62 51.841 -1.663 1.574 1.00 0.00 C ATOM 1025 CG ARG A 62 50.406 -1.333 1.160 1.00 0.00 C ATOM 1026 CD ARG A 62 49.912 -0.114 1.945 1.00 0.00 C ATOM 1027 NE ARG A 62 48.623 -0.545 2.553 1.00 0.00 N ATOM 1028 CZ ARG A 62 47.742 0.348 2.916 1.00 0.00 C ATOM 1029 NH1 ARG A 62 48.092 1.602 3.012 1.00 0.00 N ATOM 1030 NH2 ARG A 62 46.515 -0.010 3.179 1.00 0.00 N ATOM 0 H ARG A 62 51.710 -2.502 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 62 53.069 -3.461 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.994 -1.421 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.546 -1.059 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.363 -1.131 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.757 -2.188 1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.630 0.181 2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.772 0.747 1.291 1.00 0.00 H new ATOM 0 HE ARG A 62 48.428 -1.537 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 62 49.051 1.881 2.804 1.00 0.00 H new ATOM 0 HH12 ARG A 62 47.407 2.302 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 62 46.242 -0.990 3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 62 45.829 0.690 3.462 1.00 0.00 H new ATOM 1044 N ALA A 63 50.029 -4.384 1.321 1.00 0.00 N ATOM 1045 CA ALA A 63 48.964 -5.222 1.940 1.00 0.00 C ATOM 1046 C ALA A 63 49.375 -6.683 1.836 1.00 0.00 C ATOM 1047 O ALA A 63 48.888 -7.538 2.549 1.00 0.00 O ATOM 1048 CB ALA A 63 47.707 -4.951 1.114 1.00 0.00 C ATOM 0 H ALA A 63 49.889 -4.162 0.335 1.00 0.00 H new ATOM 0 HA ALA A 63 48.797 -4.995 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 63 46.877 -5.535 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.461 -3.890 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 63 47.885 -5.234 0.077 1.00 0.00 H new ATOM 1054 N ALA A 64 50.276 -6.967 0.941 1.00 0.00 N ATOM 1055 CA ALA A 64 50.755 -8.359 0.765 1.00 0.00 C ATOM 1056 C ALA A 64 51.944 -8.621 1.688 1.00 0.00 C ATOM 1057 O ALA A 64 52.026 -9.644 2.340 1.00 0.00 O ATOM 1058 CB ALA A 64 51.179 -8.429 -0.699 1.00 0.00 C ATOM 0 H ALA A 64 50.705 -6.284 0.317 1.00 0.00 H new ATOM 0 HA ALA A 64 49.998 -9.104 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.550 -9.429 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.323 -8.208 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 64 51.967 -7.700 -0.885 1.00 0.00 H new ATOM 1064 N TYR A 65 52.869 -7.702 1.743 1.00 0.00 N ATOM 1065 CA TYR A 65 54.058 -7.893 2.615 1.00 0.00 C ATOM 1066 C TYR A 65 53.670 -7.739 4.089 1.00 0.00 C ATOM 1067 O TYR A 65 54.168 -8.443 4.944 1.00 0.00 O ATOM 1068 CB TYR A 65 55.027 -6.795 2.186 1.00 0.00 C ATOM 1069 CG TYR A 65 55.832 -7.284 1.006 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.361 -7.073 -0.295 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.044 -7.954 1.212 1.00 0.00 C ATOM 1072 CE1 TYR A 65 56.103 -7.530 -1.391 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.786 -8.412 0.115 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.315 -8.198 -1.185 1.00 0.00 C ATOM 1075 OH TYR A 65 58.044 -8.647 -2.267 1.00 0.00 O ATOM 0 H TYR A 65 52.851 -6.826 1.220 1.00 0.00 H new ATOM 0 HA TYR A 65 54.496 -8.886 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.478 -5.892 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 65 55.689 -6.534 3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.425 -6.558 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.407 -8.118 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 65 55.740 -7.367 -2.395 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.721 -8.930 0.273 1.00 0.00 H new ATOM 0 HH TYR A 65 58.896 -8.164 -2.311 1.00 0.00 H new ATOM 1085 N ASP A 66 52.784 -6.830 4.393 1.00 0.00 N ATOM 1086 CA ASP A 66 52.371 -6.650 5.815 1.00 0.00 C ATOM 1087 C ASP A 66 52.134 -8.019 6.458 1.00 0.00 C ATOM 1088 O ASP A 66 52.346 -8.209 7.639 1.00 0.00 O ATOM 1089 CB ASP A 66 51.072 -5.842 5.760 1.00 0.00 C ATOM 1090 CG ASP A 66 50.006 -6.641 5.013 1.00 0.00 C ATOM 1091 OD1 ASP A 66 50.376 -7.548 4.290 1.00 0.00 O ATOM 1092 OD2 ASP A 66 48.837 -6.329 5.176 1.00 0.00 O ATOM 0 H ASP A 66 52.331 -6.208 3.724 1.00 0.00 H new ATOM 0 HA ASP A 66 53.130 -6.141 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 66 50.730 -5.614 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.245 -4.889 5.259 1.00 0.00 H new ATOM 1097 N GLN A 67 51.703 -8.980 5.683 1.00 0.00 N ATOM 1098 CA GLN A 67 51.461 -10.339 6.243 1.00 0.00 C ATOM 1099 C GLN A 67 51.978 -11.399 5.268 1.00 0.00 C ATOM 1100 O GLN A 67 51.615 -12.556 5.340 1.00 0.00 O ATOM 1101 CB GLN A 67 49.944 -10.442 6.398 1.00 0.00 C ATOM 1102 CG GLN A 67 49.476 -9.486 7.499 1.00 0.00 C ATOM 1103 CD GLN A 67 49.899 -10.031 8.865 1.00 0.00 C ATOM 1104 OE1 GLN A 67 50.546 -11.056 8.951 1.00 0.00 O ATOM 1105 NE2 GLN A 67 49.556 -9.385 9.945 1.00 0.00 N ATOM 0 H GLN A 67 51.509 -8.881 4.687 1.00 0.00 H new ATOM 0 HA GLN A 67 51.973 -10.497 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 67 49.454 -10.196 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 49.662 -11.465 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 67 49.905 -8.496 7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 67 48.393 -9.373 7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 67 49.013 -8.525 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 67 49.831 -9.740 10.861 1.00 0.00 H new ATOM 1114 N TYR A 68 52.824 -11.006 4.352 1.00 0.00 N ATOM 1115 CA TYR A 68 53.369 -11.983 3.366 1.00 0.00 C ATOM 1116 C TYR A 68 52.227 -12.664 2.612 1.00 0.00 C ATOM 1117 O TYR A 68 52.311 -13.821 2.253 1.00 0.00 O ATOM 1118 CB TYR A 68 54.145 -13.000 4.201 1.00 0.00 C ATOM 1119 CG TYR A 68 55.480 -12.412 4.590 1.00 0.00 C ATOM 1120 CD1 TYR A 68 55.591 -11.642 5.756 1.00 0.00 C ATOM 1121 CD2 TYR A 68 56.604 -12.632 3.787 1.00 0.00 C ATOM 1122 CE1 TYR A 68 56.828 -11.094 6.116 1.00 0.00 C ATOM 1123 CE2 TYR A 68 57.841 -12.084 4.148 1.00 0.00 C ATOM 1124 CZ TYR A 68 57.953 -11.314 5.312 1.00 0.00 C ATOM 1125 OH TYR A 68 59.172 -10.774 5.669 1.00 0.00 O ATOM 0 H TYR A 68 53.161 -10.049 4.245 1.00 0.00 H new ATOM 0 HA TYR A 68 54.002 -11.506 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 68 53.577 -13.264 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 68 54.291 -13.919 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 68 54.723 -11.472 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 68 56.518 -13.225 2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 68 56.915 -10.501 7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 68 58.709 -12.255 3.528 1.00 0.00 H new ATOM 0 HH TYR A 68 59.847 -11.023 5.004 1.00 0.00 H new ATOM 1135 N GLY A 69 51.158 -11.957 2.375 1.00 0.00 N ATOM 1136 CA GLY A 69 50.010 -12.568 1.651 1.00 0.00 C ATOM 1137 C GLY A 69 49.073 -13.214 2.667 1.00 0.00 C ATOM 1138 O GLY A 69 49.509 -13.825 3.623 1.00 0.00 O ATOM 0 H GLY A 69 51.030 -10.983 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 69 49.479 -11.808 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 69 50.366 -13.313 0.940 1.00 0.00 H new ATOM 1142 N HIS A 70 47.791 -13.084 2.479 1.00 0.00 N ATOM 1143 CA HIS A 70 46.842 -13.695 3.450 1.00 0.00 C ATOM 1144 C HIS A 70 47.260 -15.135 3.755 1.00 0.00 C ATOM 1145 O HIS A 70 46.930 -15.681 4.790 1.00 0.00 O ATOM 1146 CB HIS A 70 45.478 -13.661 2.757 1.00 0.00 C ATOM 1147 CG HIS A 70 45.572 -14.348 1.422 1.00 0.00 C ATOM 1148 ND1 HIS A 70 45.872 -13.660 0.256 1.00 0.00 N ATOM 1149 CD2 HIS A 70 45.402 -15.659 1.051 1.00 0.00 C ATOM 1150 CE1 HIS A 70 45.871 -14.551 -0.752 1.00 0.00 C ATOM 1151 NE2 HIS A 70 45.592 -15.785 -0.322 1.00 0.00 N ATOM 0 H HIS A 70 47.361 -12.585 1.701 1.00 0.00 H new ATOM 0 HA HIS A 70 46.822 -13.161 4.400 1.00 0.00 H new ATOM 0 HB2 HIS A 70 44.731 -14.154 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 70 45.152 -12.629 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 70 45.158 -16.469 1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 70 46.071 -14.300 -1.783 1.00 0.00 H new ATOM 0 HE2 HIS A 70 45.531 -16.637 -0.880 1.00 0.00 H new ATOM 1159 N ALA A 71 47.987 -15.753 2.864 1.00 0.00 N ATOM 1160 CA ALA A 71 48.432 -17.154 3.107 1.00 0.00 C ATOM 1161 C ALA A 71 48.981 -17.286 4.527 1.00 0.00 C ATOM 1162 O ALA A 71 48.692 -18.236 5.229 1.00 0.00 O ATOM 1163 CB ALA A 71 49.535 -17.402 2.079 1.00 0.00 C ATOM 0 H ALA A 71 48.292 -15.348 1.979 1.00 0.00 H new ATOM 0 HA ALA A 71 47.619 -17.873 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 71 49.917 -18.417 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 71 49.131 -17.277 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 71 50.345 -16.690 2.236 1.00 0.00 H new ATOM 1169 N ALA A 72 49.766 -16.337 4.960 1.00 0.00 N ATOM 1170 CA ALA A 72 50.326 -16.407 6.338 1.00 0.00 C ATOM 1171 C ALA A 72 49.183 -16.460 7.352 1.00 0.00 C ATOM 1172 O ALA A 72 49.352 -16.881 8.479 1.00 0.00 O ATOM 1173 CB ALA A 72 51.137 -15.121 6.507 1.00 0.00 C ATOM 0 H ALA A 72 50.043 -15.518 4.419 1.00 0.00 H new ATOM 0 HA ALA A 72 50.942 -17.292 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 72 51.582 -15.100 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 72 51.926 -15.087 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 72 50.482 -14.259 6.384 1.00 0.00 H new ATOM 1179 N PHE A 73 48.016 -16.039 6.951 1.00 0.00 N ATOM 1180 CA PHE A 73 46.850 -16.065 7.879 1.00 0.00 C ATOM 1181 C PHE A 73 45.632 -16.652 7.163 1.00 0.00 C ATOM 1182 O PHE A 73 44.502 -16.338 7.478 1.00 0.00 O ATOM 1183 CB PHE A 73 46.605 -14.603 8.251 1.00 0.00 C ATOM 1184 CG PHE A 73 47.069 -14.359 9.666 1.00 0.00 C ATOM 1185 CD1 PHE A 73 46.789 -15.299 10.666 1.00 0.00 C ATOM 1186 CD2 PHE A 73 47.781 -13.195 9.979 1.00 0.00 C ATOM 1187 CE1 PHE A 73 47.220 -15.073 11.980 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.212 -12.970 11.292 1.00 0.00 C ATOM 1189 CZ PHE A 73 47.932 -13.909 12.291 1.00 0.00 C ATOM 0 H PHE A 73 47.819 -15.677 6.018 1.00 0.00 H new ATOM 0 HA PHE A 73 47.031 -16.679 8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 73 47.139 -13.947 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 73 45.545 -14.366 8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 73 46.241 -16.198 10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 73 47.998 -12.471 9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 73 47.003 -15.796 12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 73 48.761 -12.072 11.534 1.00 0.00 H new ATOM 0 HZ PHE A 73 48.266 -13.735 13.303 1.00 0.00 H new ATOM 1199 N GLU A 74 45.857 -17.502 6.197 1.00 0.00 N ATOM 1200 CA GLU A 74 44.719 -18.112 5.453 1.00 0.00 C ATOM 1201 C GLU A 74 43.859 -17.016 4.817 1.00 0.00 C ATOM 1202 O GLU A 74 44.304 -15.904 4.612 1.00 0.00 O ATOM 1203 CB GLU A 74 43.922 -18.884 6.504 1.00 0.00 C ATOM 1204 CG GLU A 74 44.825 -19.930 7.160 1.00 0.00 C ATOM 1205 CD GLU A 74 45.305 -20.926 6.102 1.00 0.00 C ATOM 1206 OE1 GLU A 74 46.309 -20.649 5.467 1.00 0.00 O ATOM 1207 OE2 GLU A 74 44.658 -21.949 5.945 1.00 0.00 O ATOM 0 H GLU A 74 46.783 -17.800 5.891 1.00 0.00 H new ATOM 0 HA GLU A 74 45.054 -18.762 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 74 43.534 -18.199 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 74 43.063 -19.369 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 74 45.679 -19.444 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 74 44.282 -20.453 7.947 1.00 0.00 H new ATOM 1214 N GLN A 75 42.633 -17.324 4.501 1.00 0.00 N ATOM 1215 CA GLN A 75 41.746 -16.302 3.875 1.00 0.00 C ATOM 1216 C GLN A 75 41.607 -15.084 4.791 1.00 0.00 C ATOM 1217 O GLN A 75 42.321 -14.110 4.656 1.00 0.00 O ATOM 1218 CB GLN A 75 40.400 -17.003 3.704 1.00 0.00 C ATOM 1219 CG GLN A 75 40.475 -17.966 2.517 1.00 0.00 C ATOM 1220 CD GLN A 75 39.683 -17.389 1.342 1.00 0.00 C ATOM 1221 OE1 GLN A 75 40.142 -17.407 0.218 1.00 0.00 O ATOM 1222 NE2 GLN A 75 38.503 -16.874 1.558 1.00 0.00 N ATOM 0 H GLN A 75 42.206 -18.238 4.648 1.00 0.00 H new ATOM 0 HA GLN A 75 42.141 -15.937 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 75 40.143 -17.548 4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 75 39.613 -16.267 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 75 41.514 -18.123 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 75 40.072 -18.939 2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 75 38.118 -16.859 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 75 37.966 -16.486 0.782 1.00 0.00 H new ATOM 1231 N GLY A 76 40.691 -15.129 5.719 1.00 0.00 N ATOM 1232 CA GLY A 76 40.507 -13.972 6.641 1.00 0.00 C ATOM 1233 C GLY A 76 39.446 -13.029 6.071 1.00 0.00 C ATOM 1234 O GLY A 76 38.463 -13.458 5.501 1.00 0.00 O ATOM 0 H GLY A 76 40.062 -15.916 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 76 40.204 -14.324 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.450 -13.441 6.768 1.00 0.00 H new ATOM 1238 N GLY A 77 39.637 -11.747 6.221 1.00 0.00 N ATOM 1239 CA GLY A 77 38.638 -10.779 5.688 1.00 0.00 C ATOM 1240 C GLY A 77 39.210 -9.361 5.757 1.00 0.00 C ATOM 1241 O GLY A 77 38.425 -8.431 5.843 1.00 0.00 O ATOM 1242 OXT GLY A 77 40.423 -9.230 5.723 1.00 0.00 O ATOM 0 H GLY A 77 40.441 -11.329 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 77 38.386 -11.031 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 37.715 -10.838 6.265 1.00 0.00 H new TER 1246 GLY A 77