USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 989 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 117 LYS NZ :NH3+ 160:sc= 1.32 (180deg=-0.0051) USER MOD Set 1.2: A 119 GLN : amide:sc= 1.07 K(o=2.4,f=-5.9) USER MOD Set 2.1: A 98 THR OG1 : rot -110:sc= 0.0647 USER MOD Set 2.2: A 101 GLN : amide:sc= 0.0652 X(o=0.13,f=-0.21) USER MOD Set 3.1: A 7 ASN : amide:sc= -0.0972 K(o=0.19,f=-4.6!) USER MOD Set 3.2: A 15 GLN : amide:sc= 0.285 X(o=0.19,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 3 ASN : amide:sc= 0.614 K(o=0.61,f=-5.6!) USER MOD Single : A 4 GLN : amide:sc= 1.04 K(o=1,f=-0.0061) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.84) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.14 F(o=-3.2!,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.55 (180deg=0.224) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 47:sc= 0.533 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -164:sc= 1.25 USER MOD Single : A 71 SER OG : rot -75:sc= 0.623 USER MOD Single : A 73 SER OG : rot 29:sc= -0.0877 USER MOD Single : A 76 TYR OH : rot 180:sc= 0.264 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -39:sc= 0.951 USER MOD Single : A 80 GLN : amide:sc=-0.00755 X(o=-0.0076,f=-0.14) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -20:sc= 0.473 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.088) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.0594 X(o=0.059,f=0) USER MOD Single : A 113 TYR OH : rot -16:sc= 1.32 USER MOD Single : A 115 ASN : amide:sc= -0.0771 X(o=-0.077,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 24:sc= 0.00425 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.740 -0.568 6.906 1.00 1.34 N ATOM 2 CA GLY A 1 30.445 -1.809 7.251 1.00 44.31 C ATOM 3 C GLY A 1 30.741 -2.636 6.012 1.00 62.34 C ATOM 4 O GLY A 1 30.457 -2.218 4.890 1.00 73.22 O ATOM 0 H1 GLY A 1 30.336 0.249 7.148 1.00 1.34 H new ATOM 0 H2 GLY A 1 29.535 -0.557 5.886 1.00 1.34 H new ATOM 0 H3 GLY A 1 28.848 -0.516 7.439 1.00 1.34 H new ATOM 0 HA2 GLY A 1 31.377 -1.570 7.763 1.00 44.31 H new ATOM 0 HA3 GLY A 1 29.840 -2.393 7.945 1.00 44.31 H new ATOM 8 N SER A 2 31.305 -3.830 6.202 1.00 53.13 N ATOM 9 CA SER A 2 31.642 -4.742 5.110 1.00 45.11 C ATOM 10 C SER A 2 30.378 -5.287 4.429 1.00 24.31 C ATOM 11 O SER A 2 30.371 -5.544 3.226 1.00 30.21 O ATOM 12 CB SER A 2 32.481 -5.899 5.675 1.00 60.21 C ATOM 13 OG SER A 2 33.395 -5.425 6.653 1.00 53.32 O ATOM 0 H SER A 2 31.542 -4.193 7.125 1.00 53.13 H new ATOM 0 HA SER A 2 32.212 -4.199 4.356 1.00 45.11 H new ATOM 0 HB2 SER A 2 31.825 -6.649 6.117 1.00 60.21 H new ATOM 0 HB3 SER A 2 33.026 -6.388 4.867 1.00 60.21 H new ATOM 0 HG SER A 2 33.919 -6.176 7.002 1.00 53.32 H new ATOM 19 N ASN A 3 29.313 -5.477 5.210 1.00 10.13 N ATOM 20 CA ASN A 3 28.010 -5.981 4.791 1.00 10.51 C ATOM 21 C ASN A 3 26.951 -5.370 5.705 1.00 72.41 C ATOM 22 O ASN A 3 27.309 -4.636 6.635 1.00 34.14 O ATOM 23 CB ASN A 3 27.980 -7.511 4.940 1.00 62.33 C ATOM 24 CG ASN A 3 27.084 -8.173 3.904 1.00 10.12 C ATOM 25 OD1 ASN A 3 26.084 -7.603 3.488 1.00 60.42 O ATOM 26 ND2 ASN A 3 27.420 -9.362 3.453 1.00 63.14 N ATOM 0 H ASN A 3 29.342 -5.270 6.208 1.00 10.13 H new ATOM 0 HA ASN A 3 27.819 -5.717 3.751 1.00 10.51 H new ATOM 0 HB2 ASN A 3 28.993 -7.903 4.846 1.00 62.33 H new ATOM 0 HB3 ASN A 3 27.630 -7.770 5.939 1.00 62.33 H new ATOM 0 HD21 ASN A 3 26.844 -9.821 2.747 1.00 63.14 H new ATOM 0 HD22 ASN A 3 28.256 -9.825 3.809 1.00 63.14 H new ATOM 33 N GLN A 4 25.672 -5.671 5.482 1.00 3.23 N ATOM 34 CA GLN A 4 24.550 -5.188 6.275 1.00 24.23 C ATOM 35 C GLN A 4 23.598 -6.355 6.605 1.00 0.22 C ATOM 36 O GLN A 4 23.841 -7.502 6.207 1.00 44.22 O ATOM 37 CB GLN A 4 23.849 -4.010 5.560 1.00 13.33 C ATOM 38 CG GLN A 4 24.673 -2.714 5.430 1.00 44.23 C ATOM 39 CD GLN A 4 24.896 -1.985 6.759 1.00 44.25 C ATOM 40 OE1 GLN A 4 24.213 -1.024 7.092 1.00 63.52 O ATOM 41 NE2 GLN A 4 25.866 -2.404 7.555 1.00 42.23 N ATOM 0 H GLN A 4 25.382 -6.280 4.716 1.00 3.23 H new ATOM 0 HA GLN A 4 24.910 -4.796 7.226 1.00 24.23 H new ATOM 0 HB2 GLN A 4 23.561 -4.336 4.561 1.00 13.33 H new ATOM 0 HB3 GLN A 4 22.929 -3.780 6.097 1.00 13.33 H new ATOM 0 HG2 GLN A 4 25.642 -2.953 4.991 1.00 44.23 H new ATOM 0 HG3 GLN A 4 24.167 -2.041 4.738 1.00 44.23 H new ATOM 0 HE21 GLN A 4 26.439 -3.203 7.284 1.00 42.23 H new ATOM 0 HE22 GLN A 4 26.041 -1.928 8.440 1.00 42.23 H new ATOM 50 N GLN A 5 22.532 -6.078 7.359 1.00 35.22 N ATOM 51 CA GLN A 5 21.516 -7.028 7.804 1.00 32.14 C ATOM 52 C GLN A 5 20.170 -6.322 8.018 1.00 11.34 C ATOM 53 O GLN A 5 19.854 -5.880 9.124 1.00 24.12 O ATOM 54 CB GLN A 5 21.990 -7.741 9.082 1.00 3.21 C ATOM 55 CG GLN A 5 22.661 -6.831 10.134 1.00 14.33 C ATOM 56 CD GLN A 5 23.051 -7.605 11.383 1.00 23.13 C ATOM 57 OE1 GLN A 5 24.176 -8.096 11.493 1.00 62.03 O ATOM 58 NE2 GLN A 5 22.154 -7.745 12.341 1.00 23.10 N ATOM 0 H GLN A 5 22.346 -5.132 7.693 1.00 35.22 H new ATOM 0 HA GLN A 5 21.368 -7.781 7.030 1.00 32.14 H new ATOM 0 HB2 GLN A 5 21.133 -8.232 9.544 1.00 3.21 H new ATOM 0 HB3 GLN A 5 22.694 -8.525 8.802 1.00 3.21 H new ATOM 0 HG2 GLN A 5 23.548 -6.368 9.701 1.00 14.33 H new ATOM 0 HG3 GLN A 5 21.980 -6.024 10.404 1.00 14.33 H new ATOM 0 HE21 GLN A 5 21.227 -7.333 12.236 1.00 23.10 H new ATOM 0 HE22 GLN A 5 22.388 -8.265 13.187 1.00 23.10 H new ATOM 67 N LEU A 6 19.399 -6.182 6.942 1.00 41.22 N ATOM 68 CA LEU A 6 18.083 -5.541 6.940 1.00 72.31 C ATOM 69 C LEU A 6 17.116 -6.416 6.147 1.00 71.42 C ATOM 70 O LEU A 6 17.056 -6.306 4.916 1.00 63.21 O ATOM 71 CB LEU A 6 18.097 -4.122 6.328 1.00 1.43 C ATOM 72 CG LEU A 6 18.800 -3.012 7.134 1.00 22.01 C ATOM 73 CD1 LEU A 6 20.303 -2.959 6.837 1.00 11.33 C ATOM 74 CD2 LEU A 6 18.205 -1.651 6.753 1.00 23.43 C ATOM 0 H LEU A 6 19.679 -6.520 6.021 1.00 41.22 H new ATOM 0 HA LEU A 6 17.771 -5.435 7.979 1.00 72.31 H new ATOM 0 HB2 LEU A 6 18.573 -4.181 5.349 1.00 1.43 H new ATOM 0 HB3 LEU A 6 17.064 -3.816 6.162 1.00 1.43 H new ATOM 0 HG LEU A 6 18.651 -3.233 8.191 1.00 22.01 H new ATOM 0 HD11 LEU A 6 20.762 -2.164 7.424 1.00 11.33 H new ATOM 0 HD12 LEU A 6 20.760 -3.914 7.099 1.00 11.33 H new ATOM 0 HD13 LEU A 6 20.458 -2.762 5.776 1.00 11.33 H new ATOM 0 HD21 LEU A 6 18.701 -0.865 7.322 1.00 23.43 H new ATOM 0 HD22 LEU A 6 18.352 -1.475 5.687 1.00 23.43 H new ATOM 0 HD23 LEU A 6 17.139 -1.644 6.978 1.00 23.43 H new ATOM 86 N ASN A 7 16.423 -7.347 6.806 1.00 55.23 N ATOM 87 CA ASN A 7 15.456 -8.199 6.123 1.00 30.20 C ATOM 88 C ASN A 7 14.399 -8.738 7.080 1.00 4.23 C ATOM 89 O ASN A 7 14.734 -9.111 8.208 1.00 65.33 O ATOM 90 CB ASN A 7 16.142 -9.381 5.424 1.00 25.21 C ATOM 91 CG ASN A 7 15.137 -10.032 4.489 1.00 22.10 C ATOM 92 OD1 ASN A 7 14.603 -9.359 3.615 1.00 73.24 O ATOM 93 ND2 ASN A 7 14.850 -11.313 4.632 1.00 0.32 N ATOM 0 H ASN A 7 16.515 -7.527 7.806 1.00 55.23 H new ATOM 0 HA ASN A 7 14.971 -7.570 5.376 1.00 30.20 H new ATOM 0 HB2 ASN A 7 17.013 -9.038 4.866 1.00 25.21 H new ATOM 0 HB3 ASN A 7 16.498 -10.102 6.160 1.00 25.21 H new ATOM 0 HD21 ASN A 7 14.175 -11.757 4.010 1.00 0.32 H new ATOM 0 HD22 ASN A 7 15.304 -11.859 5.365 1.00 0.32 H new ATOM 100 N ALA A 8 13.148 -8.857 6.619 1.00 52.21 N ATOM 101 CA ALA A 8 12.043 -9.379 7.423 1.00 22.35 C ATOM 102 C ALA A 8 12.368 -10.794 7.927 1.00 3.23 C ATOM 103 O ALA A 8 13.235 -11.488 7.382 1.00 51.24 O ATOM 104 CB ALA A 8 10.735 -9.363 6.630 1.00 25.52 C ATOM 0 H ALA A 8 12.875 -8.592 5.673 1.00 52.21 H new ATOM 0 HA ALA A 8 11.912 -8.731 8.290 1.00 22.35 H new ATOM 0 HB1 ALA A 8 9.929 -9.756 7.250 1.00 25.52 H new ATOM 0 HB2 ALA A 8 10.501 -8.340 6.335 1.00 25.52 H new ATOM 0 HB3 ALA A 8 10.842 -9.982 5.739 1.00 25.52 H new ATOM 110 N THR A 9 11.613 -11.271 8.914 1.00 65.51 N ATOM 111 CA THR A 9 11.845 -12.576 9.521 1.00 33.12 C ATOM 112 C THR A 9 11.201 -13.770 8.792 1.00 22.42 C ATOM 113 O THR A 9 11.876 -14.794 8.660 1.00 22.21 O ATOM 114 CB THR A 9 11.465 -12.487 11.015 1.00 60.34 C ATOM 115 OG1 THR A 9 11.751 -11.194 11.540 1.00 22.24 O ATOM 116 CG2 THR A 9 12.241 -13.508 11.850 1.00 13.01 C ATOM 0 H THR A 9 10.824 -10.763 9.314 1.00 65.51 H new ATOM 0 HA THR A 9 12.906 -12.805 9.421 1.00 33.12 H new ATOM 0 HB THR A 9 10.396 -12.692 11.075 1.00 60.34 H new ATOM 0 HG1 THR A 9 11.500 -11.163 12.487 1.00 22.24 H new ATOM 0 HG21 THR A 9 11.950 -13.419 12.897 1.00 13.01 H new ATOM 0 HG22 THR A 9 12.016 -14.514 11.495 1.00 13.01 H new ATOM 0 HG23 THR A 9 13.310 -13.320 11.753 1.00 13.01 H new ATOM 124 N LYS A 10 9.952 -13.685 8.296 1.00 2.51 N ATOM 125 CA LYS A 10 9.311 -14.824 7.606 1.00 2.15 C ATOM 126 C LYS A 10 8.252 -14.513 6.553 1.00 60.13 C ATOM 127 O LYS A 10 7.842 -15.417 5.817 1.00 44.11 O ATOM 128 CB LYS A 10 8.709 -15.765 8.660 1.00 12.53 C ATOM 129 CG LYS A 10 7.374 -15.319 9.300 1.00 64.45 C ATOM 130 CD LYS A 10 6.146 -16.078 8.778 1.00 43.14 C ATOM 131 CE LYS A 10 6.175 -17.548 9.210 1.00 23.55 C ATOM 132 NZ LYS A 10 5.208 -18.368 8.457 1.00 74.13 N ATOM 0 H LYS A 10 9.371 -12.849 8.358 1.00 2.51 H new ATOM 0 HA LYS A 10 10.121 -15.273 7.031 1.00 2.15 H new ATOM 0 HB2 LYS A 10 8.557 -16.741 8.199 1.00 12.53 H new ATOM 0 HB3 LYS A 10 9.441 -15.899 9.456 1.00 12.53 H new ATOM 0 HG2 LYS A 10 7.438 -15.452 10.380 1.00 64.45 H new ATOM 0 HG3 LYS A 10 7.234 -14.253 9.118 1.00 64.45 H new ATOM 0 HD2 LYS A 10 5.238 -15.605 9.151 1.00 43.14 H new ATOM 0 HD3 LYS A 10 6.113 -16.017 7.690 1.00 43.14 H new ATOM 0 HE2 LYS A 10 7.179 -17.948 9.065 1.00 23.55 H new ATOM 0 HE3 LYS A 10 5.955 -17.616 10.275 1.00 23.55 H new ATOM 0 HZ1 LYS A 10 5.262 -19.354 8.782 1.00 74.13 H new ATOM 0 HZ2 LYS A 10 4.247 -18.004 8.615 1.00 74.13 H new ATOM 0 HZ3 LYS A 10 5.432 -18.325 7.442 1.00 74.13 H new ATOM 146 N LYS A 11 7.728 -13.295 6.523 1.00 24.11 N ATOM 147 CA LYS A 11 6.703 -12.883 5.565 1.00 72.32 C ATOM 148 C LYS A 11 7.338 -12.326 4.303 1.00 30.40 C ATOM 149 O LYS A 11 7.686 -11.151 4.273 1.00 31.13 O ATOM 150 CB LYS A 11 5.758 -11.861 6.216 1.00 0.12 C ATOM 151 CG LYS A 11 4.771 -12.445 7.239 1.00 1.24 C ATOM 152 CD LYS A 11 3.518 -13.071 6.603 1.00 2.13 C ATOM 153 CE LYS A 11 3.784 -14.522 6.202 1.00 63.44 C ATOM 154 NZ LYS A 11 2.602 -15.187 5.638 1.00 74.44 N ATOM 0 H LYS A 11 8.004 -12.555 7.169 1.00 24.11 H new ATOM 0 HA LYS A 11 6.117 -13.755 5.277 1.00 72.32 H new ATOM 0 HB2 LYS A 11 6.359 -11.097 6.709 1.00 0.12 H new ATOM 0 HB3 LYS A 11 5.190 -11.362 5.430 1.00 0.12 H new ATOM 0 HG2 LYS A 11 5.283 -13.202 7.833 1.00 1.24 H new ATOM 0 HG3 LYS A 11 4.464 -11.656 7.925 1.00 1.24 H new ATOM 0 HD2 LYS A 11 2.687 -13.029 7.307 1.00 2.13 H new ATOM 0 HD3 LYS A 11 3.222 -12.494 5.727 1.00 2.13 H new ATOM 0 HE2 LYS A 11 4.593 -14.549 5.471 1.00 63.44 H new ATOM 0 HE3 LYS A 11 4.125 -15.078 7.075 1.00 63.44 H new ATOM 0 HZ1 LYS A 11 2.842 -16.167 5.385 1.00 74.44 H new ATOM 0 HZ2 LYS A 11 1.836 -15.189 6.342 1.00 74.44 H new ATOM 0 HZ3 LYS A 11 2.289 -14.677 4.787 1.00 74.44 H new ATOM 168 N ASP A 12 7.392 -13.125 3.236 1.00 3.03 N ATOM 169 CA ASP A 12 7.976 -12.744 1.954 1.00 41.24 C ATOM 170 C ASP A 12 7.233 -11.560 1.350 1.00 41.23 C ATOM 171 O ASP A 12 7.815 -10.719 0.665 1.00 3.13 O ATOM 172 CB ASP A 12 7.842 -13.905 0.959 1.00 4.01 C ATOM 173 CG ASP A 12 8.885 -14.997 1.139 1.00 1.03 C ATOM 174 OD1 ASP A 12 10.014 -14.887 0.609 1.00 1.05 O ATOM 175 OD2 ASP A 12 8.529 -16.004 1.788 1.00 64.24 O ATOM 0 H ASP A 12 7.022 -14.076 3.242 1.00 3.03 H new ATOM 0 HA ASP A 12 9.020 -12.487 2.132 1.00 41.24 H new ATOM 0 HB2 ASP A 12 6.850 -14.344 1.060 1.00 4.01 H new ATOM 0 HB3 ASP A 12 7.914 -13.511 -0.055 1.00 4.01 H new ATOM 180 N LYS A 13 5.914 -11.512 1.542 1.00 2.44 N ATOM 181 CA LYS A 13 5.081 -10.450 1.010 1.00 22.31 C ATOM 182 C LYS A 13 5.320 -9.188 1.823 1.00 31.23 C ATOM 183 O LYS A 13 5.635 -8.153 1.255 1.00 22.13 O ATOM 184 CB LYS A 13 3.612 -10.893 0.990 1.00 10.42 C ATOM 185 CG LYS A 13 3.347 -12.231 0.263 1.00 12.42 C ATOM 186 CD LYS A 13 2.825 -12.058 -1.176 1.00 15.53 C ATOM 187 CE LYS A 13 3.891 -11.538 -2.146 1.00 75.34 C ATOM 188 NZ LYS A 13 4.755 -12.610 -2.683 1.00 45.21 N ATOM 0 H LYS A 13 5.399 -12.214 2.073 1.00 2.44 H new ATOM 0 HA LYS A 13 5.344 -10.228 -0.024 1.00 22.31 H new ATOM 0 HB2 LYS A 13 3.259 -10.978 2.018 1.00 10.42 H new ATOM 0 HB3 LYS A 13 3.019 -10.113 0.513 1.00 10.42 H new ATOM 0 HG2 LYS A 13 4.270 -12.811 0.239 1.00 12.42 H new ATOM 0 HG3 LYS A 13 2.622 -12.809 0.836 1.00 12.42 H new ATOM 0 HD2 LYS A 13 2.450 -13.016 -1.537 1.00 15.53 H new ATOM 0 HD3 LYS A 13 1.981 -11.368 -1.169 1.00 15.53 H new ATOM 0 HE2 LYS A 13 3.402 -11.024 -2.974 1.00 75.34 H new ATOM 0 HE3 LYS A 13 4.511 -10.801 -1.635 1.00 75.34 H new ATOM 0 HZ1 LYS A 13 5.456 -12.199 -3.332 1.00 45.21 H new ATOM 0 HZ2 LYS A 13 5.246 -13.085 -1.899 1.00 45.21 H new ATOM 0 HZ3 LYS A 13 4.172 -13.302 -3.196 1.00 45.21 H new ATOM 202 N LEU A 14 5.242 -9.254 3.151 1.00 41.31 N ATOM 203 CA LEU A 14 5.466 -8.059 3.957 1.00 1.34 C ATOM 204 C LEU A 14 6.898 -7.556 3.826 1.00 5.34 C ATOM 205 O LEU A 14 7.108 -6.354 3.963 1.00 34.41 O ATOM 206 CB LEU A 14 5.083 -8.285 5.414 1.00 74.31 C ATOM 207 CG LEU A 14 3.652 -8.816 5.581 1.00 14.25 C ATOM 208 CD1 LEU A 14 3.372 -8.952 7.071 1.00 53.35 C ATOM 209 CD2 LEU A 14 2.608 -7.900 4.944 1.00 20.43 C ATOM 0 H LEU A 14 5.031 -10.100 3.680 1.00 41.31 H new ATOM 0 HA LEU A 14 4.811 -7.279 3.568 1.00 1.34 H new ATOM 0 HB2 LEU A 14 5.782 -8.991 5.863 1.00 74.31 H new ATOM 0 HB3 LEU A 14 5.183 -7.347 5.960 1.00 74.31 H new ATOM 0 HG LEU A 14 3.579 -9.777 5.072 1.00 14.25 H new ATOM 0 HD11 LEU A 14 2.360 -9.328 7.218 1.00 53.35 H new ATOM 0 HD12 LEU A 14 4.085 -9.647 7.513 1.00 53.35 H new ATOM 0 HD13 LEU A 14 3.470 -7.978 7.550 1.00 53.35 H new ATOM 0 HD21 LEU A 14 1.614 -8.323 5.092 1.00 20.43 H new ATOM 0 HD22 LEU A 14 2.656 -6.915 5.409 1.00 20.43 H new ATOM 0 HD23 LEU A 14 2.808 -7.807 3.877 1.00 20.43 H new ATOM 221 N GLN A 15 7.851 -8.427 3.491 1.00 70.52 N ATOM 222 CA GLN A 15 9.253 -8.088 3.307 1.00 22.12 C ATOM 223 C GLN A 15 9.441 -7.094 2.156 1.00 23.53 C ATOM 224 O GLN A 15 10.325 -6.244 2.243 1.00 61.25 O ATOM 225 CB GLN A 15 10.068 -9.368 3.068 1.00 41.42 C ATOM 226 CG GLN A 15 11.579 -9.123 3.120 1.00 34.33 C ATOM 227 CD GLN A 15 12.219 -9.206 1.741 1.00 24.31 C ATOM 228 OE1 GLN A 15 12.621 -10.282 1.305 1.00 74.35 O ATOM 229 NE2 GLN A 15 12.313 -8.098 1.023 1.00 31.43 N ATOM 0 H GLN A 15 7.657 -9.416 3.337 1.00 70.52 H new ATOM 0 HA GLN A 15 9.614 -7.603 4.214 1.00 22.12 H new ATOM 0 HB2 GLN A 15 9.798 -10.111 3.818 1.00 41.42 H new ATOM 0 HB3 GLN A 15 9.805 -9.786 2.096 1.00 41.42 H new ATOM 0 HG2 GLN A 15 11.772 -8.140 3.551 1.00 34.33 H new ATOM 0 HG3 GLN A 15 12.043 -9.857 3.779 1.00 34.33 H new ATOM 0 HE21 GLN A 15 11.974 -7.214 1.402 1.00 31.43 H new ATOM 0 HE22 GLN A 15 12.725 -8.128 0.090 1.00 31.43 H new ATOM 238 N VAL A 16 8.674 -7.182 1.062 1.00 20.54 N ATOM 239 CA VAL A 16 8.841 -6.214 -0.026 1.00 51.34 C ATOM 240 C VAL A 16 8.278 -4.861 0.430 1.00 31.40 C ATOM 241 O VAL A 16 8.806 -3.817 0.045 1.00 21.24 O ATOM 242 CB VAL A 16 8.297 -6.720 -1.373 1.00 72.43 C ATOM 243 CG1 VAL A 16 9.098 -7.936 -1.833 1.00 43.52 C ATOM 244 CG2 VAL A 16 6.840 -7.159 -1.355 1.00 23.23 C ATOM 0 H VAL A 16 7.955 -7.889 0.909 1.00 20.54 H new ATOM 0 HA VAL A 16 9.902 -6.077 -0.234 1.00 51.34 H new ATOM 0 HB VAL A 16 8.387 -5.862 -2.039 1.00 72.43 H new ATOM 0 HG11 VAL A 16 8.707 -8.289 -2.787 1.00 43.52 H new ATOM 0 HG12 VAL A 16 10.146 -7.659 -1.950 1.00 43.52 H new ATOM 0 HG13 VAL A 16 9.013 -8.729 -1.090 1.00 43.52 H new ATOM 0 HG21 VAL A 16 6.550 -7.499 -2.349 1.00 23.23 H new ATOM 0 HG22 VAL A 16 6.714 -7.974 -0.642 1.00 23.23 H new ATOM 0 HG23 VAL A 16 6.211 -6.319 -1.060 1.00 23.23 H new ATOM 254 N ILE A 17 7.224 -4.874 1.258 1.00 24.22 N ATOM 255 CA ILE A 17 6.627 -3.655 1.790 1.00 32.24 C ATOM 256 C ILE A 17 7.651 -3.056 2.769 1.00 2.25 C ATOM 257 O ILE A 17 7.870 -1.854 2.798 1.00 0.54 O ATOM 258 CB ILE A 17 5.254 -3.894 2.467 1.00 63.35 C ATOM 259 CG1 ILE A 17 4.335 -4.879 1.715 1.00 65.45 C ATOM 260 CG2 ILE A 17 4.546 -2.539 2.610 1.00 10.43 C ATOM 261 CD1 ILE A 17 3.008 -5.138 2.432 1.00 72.35 C ATOM 0 H ILE A 17 6.767 -5.730 1.573 1.00 24.22 H new ATOM 0 HA ILE A 17 6.410 -2.964 0.975 1.00 32.24 H new ATOM 0 HB ILE A 17 5.452 -4.357 3.434 1.00 63.35 H new ATOM 0 HG12 ILE A 17 4.131 -4.486 0.719 1.00 65.45 H new ATOM 0 HG13 ILE A 17 4.859 -5.825 1.583 1.00 65.45 H new ATOM 0 HG21 ILE A 17 3.576 -2.684 3.085 1.00 10.43 H new ATOM 0 HG22 ILE A 17 5.154 -1.874 3.223 1.00 10.43 H new ATOM 0 HG23 ILE A 17 4.405 -2.096 1.624 1.00 10.43 H new ATOM 0 HD11 ILE A 17 2.410 -5.839 1.849 1.00 72.35 H new ATOM 0 HD12 ILE A 17 3.203 -5.560 3.418 1.00 72.35 H new ATOM 0 HD13 ILE A 17 2.464 -4.200 2.540 1.00 72.35 H new ATOM 273 N ASP A 18 8.292 -3.886 3.587 1.00 52.52 N ATOM 274 CA ASP A 18 9.307 -3.452 4.546 1.00 54.22 C ATOM 275 C ASP A 18 10.491 -2.861 3.788 1.00 24.14 C ATOM 276 O ASP A 18 11.035 -1.849 4.217 1.00 23.12 O ATOM 277 CB ASP A 18 9.772 -4.608 5.436 1.00 72.42 C ATOM 278 CG ASP A 18 10.792 -4.133 6.476 1.00 61.41 C ATOM 279 OD1 ASP A 18 10.416 -3.311 7.344 1.00 62.42 O ATOM 280 OD2 ASP A 18 11.925 -4.666 6.480 1.00 44.41 O ATOM 0 H ASP A 18 8.120 -4.891 3.604 1.00 52.52 H new ATOM 0 HA ASP A 18 8.868 -2.696 5.197 1.00 54.22 H new ATOM 0 HB2 ASP A 18 8.913 -5.050 5.941 1.00 72.42 H new ATOM 0 HB3 ASP A 18 10.215 -5.390 4.819 1.00 72.42 H new ATOM 285 N TRP A 19 10.857 -3.447 2.638 1.00 41.21 N ATOM 286 CA TRP A 19 11.967 -2.950 1.845 1.00 21.43 C ATOM 287 C TRP A 19 11.637 -1.542 1.386 1.00 50.14 C ATOM 288 O TRP A 19 12.399 -0.630 1.686 1.00 62.14 O ATOM 289 CB TRP A 19 12.267 -3.852 0.630 1.00 51.34 C ATOM 290 CG TRP A 19 13.156 -3.222 -0.412 1.00 51.23 C ATOM 291 CD1 TRP A 19 12.737 -2.561 -1.523 1.00 23.15 C ATOM 292 CD2 TRP A 19 14.612 -3.098 -0.414 1.00 25.42 C ATOM 293 NE1 TRP A 19 13.823 -2.020 -2.179 1.00 31.11 N ATOM 294 CE2 TRP A 19 15.002 -2.322 -1.546 1.00 10.42 C ATOM 295 CE3 TRP A 19 15.650 -3.545 0.434 1.00 35.24 C ATOM 296 CZ2 TRP A 19 16.338 -2.015 -1.835 1.00 33.33 C ATOM 297 CZ3 TRP A 19 16.995 -3.215 0.175 1.00 54.32 C ATOM 298 CH2 TRP A 19 17.341 -2.448 -0.953 1.00 71.41 C ATOM 0 H TRP A 19 10.393 -4.266 2.245 1.00 41.21 H new ATOM 0 HA TRP A 19 12.864 -2.951 2.464 1.00 21.43 H new ATOM 0 HB2 TRP A 19 12.736 -4.771 0.982 1.00 51.34 H new ATOM 0 HB3 TRP A 19 11.324 -4.135 0.162 1.00 51.34 H new ATOM 0 HD1 TRP A 19 11.709 -2.473 -1.844 1.00 23.15 H new ATOM 0 HE1 TRP A 19 13.757 -1.463 -3.031 1.00 31.11 H new ATOM 0 HE3 TRP A 19 15.408 -4.150 1.295 1.00 35.24 H new ATOM 0 HZ2 TRP A 19 16.592 -1.454 -2.722 1.00 33.33 H new ATOM 0 HZ3 TRP A 19 17.768 -3.554 0.849 1.00 54.32 H new ATOM 0 HH2 TRP A 19 18.374 -2.193 -1.140 1.00 71.41 H new ATOM 309 N LEU A 20 10.498 -1.337 0.717 1.00 54.22 N ATOM 310 CA LEU A 20 10.136 -0.012 0.224 1.00 31.51 C ATOM 311 C LEU A 20 9.940 1.007 1.348 1.00 71.02 C ATOM 312 O LEU A 20 10.312 2.167 1.161 1.00 30.13 O ATOM 313 CB LEU A 20 8.970 -0.087 -0.774 1.00 5.10 C ATOM 314 CG LEU A 20 7.613 -0.515 -0.201 1.00 43.45 C ATOM 315 CD1 LEU A 20 6.728 0.649 0.248 1.00 25.10 C ATOM 316 CD2 LEU A 20 6.831 -1.353 -1.204 1.00 5.31 C ATOM 0 H LEU A 20 9.818 -2.068 0.507 1.00 54.22 H new ATOM 0 HA LEU A 20 10.986 0.375 -0.339 1.00 31.51 H new ATOM 0 HB2 LEU A 20 8.852 0.893 -1.237 1.00 5.10 H new ATOM 0 HB3 LEU A 20 9.242 -0.784 -1.567 1.00 5.10 H new ATOM 0 HG LEU A 20 7.861 -1.102 0.683 1.00 43.45 H new ATOM 0 HD11 LEU A 20 5.788 0.261 0.640 1.00 25.10 H new ATOM 0 HD12 LEU A 20 7.239 1.216 1.026 1.00 25.10 H new ATOM 0 HD13 LEU A 20 6.525 1.301 -0.602 1.00 25.10 H new ATOM 0 HD21 LEU A 20 5.874 -1.641 -0.769 1.00 5.31 H new ATOM 0 HD22 LEU A 20 6.658 -0.770 -2.109 1.00 5.31 H new ATOM 0 HD23 LEU A 20 7.401 -2.248 -1.453 1.00 5.31 H new ATOM 328 N ILE A 21 9.397 0.607 2.499 1.00 24.42 N ATOM 329 CA ILE A 21 9.173 1.482 3.652 1.00 62.32 C ATOM 330 C ILE A 21 10.513 2.024 4.156 1.00 24.44 C ATOM 331 O ILE A 21 10.630 3.197 4.515 1.00 14.51 O ATOM 332 CB ILE A 21 8.456 0.668 4.762 1.00 22.41 C ATOM 333 CG1 ILE A 21 6.948 0.536 4.446 1.00 4.00 C ATOM 334 CG2 ILE A 21 8.690 1.246 6.174 1.00 42.20 C ATOM 335 CD1 ILE A 21 6.250 -0.554 5.257 1.00 12.05 C ATOM 0 H ILE A 21 9.094 -0.354 2.659 1.00 24.42 H new ATOM 0 HA ILE A 21 8.548 2.329 3.368 1.00 62.32 H new ATOM 0 HB ILE A 21 8.899 -0.328 4.768 1.00 22.41 H new ATOM 0 HG12 ILE A 21 6.459 1.491 4.639 1.00 4.00 H new ATOM 0 HG13 ILE A 21 6.824 0.323 3.384 1.00 4.00 H new ATOM 0 HG21 ILE A 21 8.165 0.636 6.909 1.00 42.20 H new ATOM 0 HG22 ILE A 21 9.757 1.243 6.396 1.00 42.20 H new ATOM 0 HG23 ILE A 21 8.314 2.268 6.216 1.00 42.20 H new ATOM 0 HD11 ILE A 21 5.195 -0.591 4.985 1.00 12.05 H new ATOM 0 HD12 ILE A 21 6.713 -1.518 5.046 1.00 12.05 H new ATOM 0 HD13 ILE A 21 6.343 -0.332 6.320 1.00 12.05 H new ATOM 347 N GLU A 22 11.508 1.145 4.224 1.00 52.14 N ATOM 348 CA GLU A 22 12.842 1.447 4.695 1.00 52.30 C ATOM 349 C GLU A 22 13.655 2.209 3.629 1.00 74.11 C ATOM 350 O GLU A 22 14.485 3.055 3.968 1.00 32.51 O ATOM 351 CB GLU A 22 13.444 0.093 5.105 1.00 34.42 C ATOM 352 CG GLU A 22 14.618 0.189 6.066 1.00 20.43 C ATOM 353 CD GLU A 22 14.229 0.732 7.437 1.00 12.13 C ATOM 354 OE1 GLU A 22 13.743 -0.023 8.315 1.00 32.33 O ATOM 355 OE2 GLU A 22 14.412 1.951 7.657 1.00 75.23 O ATOM 0 H GLU A 22 11.397 0.171 3.941 1.00 52.14 H new ATOM 0 HA GLU A 22 12.846 2.125 5.549 1.00 52.30 H new ATOM 0 HB2 GLU A 22 12.663 -0.513 5.565 1.00 34.42 H new ATOM 0 HB3 GLU A 22 13.768 -0.433 4.207 1.00 34.42 H new ATOM 0 HG2 GLU A 22 15.062 -0.799 6.186 1.00 20.43 H new ATOM 0 HG3 GLU A 22 15.383 0.832 5.631 1.00 20.43 H new ATOM 362 N ASN A 23 13.373 1.976 2.342 1.00 30.31 N ATOM 363 CA ASN A 23 14.048 2.610 1.205 1.00 43.04 C ATOM 364 C ASN A 23 13.651 4.072 1.032 1.00 14.14 C ATOM 365 O ASN A 23 14.496 4.947 0.859 1.00 54.52 O ATOM 366 CB ASN A 23 13.814 1.786 -0.075 1.00 73.51 C ATOM 367 CG ASN A 23 13.145 2.443 -1.272 1.00 12.42 C ATOM 368 OD1 ASN A 23 13.759 2.641 -2.304 1.00 73.34 O ATOM 369 ND2 ASN A 23 11.848 2.669 -1.241 1.00 13.24 N ATOM 0 H ASN A 23 12.646 1.321 2.055 1.00 30.31 H new ATOM 0 HA ASN A 23 15.118 2.620 1.412 1.00 43.04 H new ATOM 0 HB2 ASN A 23 14.783 1.413 -0.406 1.00 73.51 H new ATOM 0 HB3 ASN A 23 13.215 0.918 0.199 1.00 73.51 H new ATOM 0 HD21 ASN A 23 11.369 3.006 -2.076 1.00 13.24 H new ATOM 0 HD22 ASN A 23 11.322 2.507 -0.382 1.00 13.24 H new ATOM 376 N PHE A 24 12.352 4.326 1.133 1.00 71.54 N ATOM 377 CA PHE A 24 11.731 5.644 1.011 1.00 54.51 C ATOM 378 C PHE A 24 11.024 6.029 2.317 1.00 44.43 C ATOM 379 O PHE A 24 9.810 5.846 2.453 1.00 64.14 O ATOM 380 CB PHE A 24 10.821 5.766 -0.227 1.00 54.35 C ATOM 381 CG PHE A 24 11.419 6.547 -1.378 1.00 42.11 C ATOM 382 CD1 PHE A 24 11.880 7.863 -1.174 1.00 34.50 C ATOM 383 CD2 PHE A 24 11.447 5.997 -2.671 1.00 34.34 C ATOM 384 CE1 PHE A 24 12.392 8.609 -2.247 1.00 71.21 C ATOM 385 CE2 PHE A 24 11.928 6.755 -3.747 1.00 21.45 C ATOM 386 CZ PHE A 24 12.414 8.057 -3.538 1.00 34.20 C ATOM 0 H PHE A 24 11.671 3.588 1.310 1.00 71.54 H new ATOM 0 HA PHE A 24 12.527 6.370 0.844 1.00 54.51 H new ATOM 0 HB2 PHE A 24 10.570 4.765 -0.577 1.00 54.35 H new ATOM 0 HB3 PHE A 24 9.887 6.243 0.071 1.00 54.35 H new ATOM 0 HD1 PHE A 24 11.839 8.300 -0.187 1.00 34.50 H new ATOM 0 HD2 PHE A 24 11.097 4.989 -2.836 1.00 34.34 H new ATOM 0 HE1 PHE A 24 12.769 9.607 -2.080 1.00 71.21 H new ATOM 0 HE2 PHE A 24 11.925 6.336 -4.743 1.00 21.45 H new ATOM 0 HZ PHE A 24 12.803 8.630 -4.367 1.00 34.20 H new ATOM 396 N PRO A 25 11.757 6.615 3.275 1.00 13.15 N ATOM 397 CA PRO A 25 11.220 7.041 4.555 1.00 70.11 C ATOM 398 C PRO A 25 10.541 8.429 4.500 1.00 34.22 C ATOM 399 O PRO A 25 10.418 9.049 5.559 1.00 70.40 O ATOM 400 CB PRO A 25 12.444 7.036 5.482 1.00 63.50 C ATOM 401 CG PRO A 25 13.552 7.532 4.560 1.00 64.43 C ATOM 402 CD PRO A 25 13.194 6.868 3.236 1.00 73.42 C ATOM 0 HA PRO A 25 10.422 6.382 4.898 1.00 70.11 H new ATOM 0 HB2 PRO A 25 12.306 7.692 6.341 1.00 63.50 H new ATOM 0 HB3 PRO A 25 12.655 6.040 5.872 1.00 63.50 H new ATOM 0 HG2 PRO A 25 13.559 8.619 4.481 1.00 64.43 H new ATOM 0 HG3 PRO A 25 14.539 7.232 4.912 1.00 64.43 H new ATOM 0 HD2 PRO A 25 13.452 7.513 2.396 1.00 73.42 H new ATOM 0 HD3 PRO A 25 13.748 5.939 3.106 1.00 73.42 H new ATOM 410 N ASN A 26 10.083 8.967 3.347 1.00 2.55 N ATOM 411 CA ASN A 26 9.480 10.312 3.409 1.00 21.51 C ATOM 412 C ASN A 26 8.052 10.261 3.929 1.00 60.34 C ATOM 413 O ASN A 26 7.612 11.214 4.571 1.00 50.32 O ATOM 414 CB ASN A 26 9.350 10.950 2.026 1.00 74.04 C ATOM 415 CG ASN A 26 10.560 11.788 1.687 1.00 75.32 C ATOM 416 OD1 ASN A 26 10.682 12.919 2.145 1.00 32.23 O ATOM 417 ND2 ASN A 26 11.449 11.210 0.911 1.00 21.42 N ATOM 0 H ASN A 26 10.114 8.528 2.427 1.00 2.55 H new ATOM 0 HA ASN A 26 10.143 10.881 4.061 1.00 21.51 H new ATOM 0 HB2 ASN A 26 9.224 10.170 1.275 1.00 74.04 H new ATOM 0 HB3 ASN A 26 8.455 11.571 1.993 1.00 74.04 H new ATOM 0 HD21 ASN A 26 12.303 11.706 0.656 1.00 21.42 H new ATOM 0 HD22 ASN A 26 11.285 10.265 0.564 1.00 21.42 H new ATOM 424 N ALA A 27 7.398 9.112 3.795 1.00 74.42 N ATOM 425 CA ALA A 27 6.048 8.835 4.230 1.00 44.35 C ATOM 426 C ALA A 27 5.786 7.360 3.947 1.00 5.25 C ATOM 427 O ALA A 27 5.746 6.959 2.785 1.00 12.01 O ATOM 428 CB ALA A 27 5.139 9.645 3.281 1.00 34.45 C ATOM 0 H ALA A 27 7.831 8.303 3.350 1.00 74.42 H new ATOM 0 HA ALA A 27 5.883 9.074 5.280 1.00 44.35 H new ATOM 0 HB1 ALA A 27 4.095 9.484 3.551 1.00 34.45 H new ATOM 0 HB2 ALA A 27 5.376 10.705 3.367 1.00 34.45 H new ATOM 0 HB3 ALA A 27 5.302 9.319 2.254 1.00 34.45 H new ATOM 434 N PHE A 28 5.534 6.572 4.988 1.00 64.31 N ATOM 435 CA PHE A 28 5.219 5.148 4.977 1.00 51.11 C ATOM 436 C PHE A 28 5.008 4.702 6.434 1.00 53.31 C ATOM 437 O PHE A 28 5.275 5.478 7.356 1.00 12.52 O ATOM 438 CB PHE A 28 6.285 4.327 4.218 1.00 2.34 C ATOM 439 CG PHE A 28 5.768 3.807 2.881 1.00 54.03 C ATOM 440 CD1 PHE A 28 4.702 2.886 2.837 1.00 53.32 C ATOM 441 CD2 PHE A 28 6.258 4.341 1.673 1.00 70.11 C ATOM 442 CE1 PHE A 28 4.112 2.540 1.608 1.00 61.02 C ATOM 443 CE2 PHE A 28 5.642 4.026 0.448 1.00 31.42 C ATOM 444 CZ PHE A 28 4.569 3.121 0.414 1.00 4.51 C ATOM 0 H PHE A 28 5.546 6.944 5.938 1.00 64.31 H new ATOM 0 HA PHE A 28 4.299 4.963 4.423 1.00 51.11 H new ATOM 0 HB2 PHE A 28 7.166 4.947 4.049 1.00 2.34 H new ATOM 0 HB3 PHE A 28 6.601 3.486 4.835 1.00 2.34 H new ATOM 0 HD1 PHE A 28 4.336 2.444 3.752 1.00 53.32 H new ATOM 0 HD2 PHE A 28 7.115 4.998 1.687 1.00 70.11 H new ATOM 0 HE1 PHE A 28 3.304 1.824 1.582 1.00 61.02 H new ATOM 0 HE2 PHE A 28 5.994 4.480 -0.466 1.00 31.42 H new ATOM 0 HZ PHE A 28 4.098 2.873 -0.526 1.00 4.51 H new ATOM 454 N PHE A 29 4.570 3.460 6.675 1.00 44.34 N ATOM 455 CA PHE A 29 4.362 2.890 8.008 1.00 63.32 C ATOM 456 C PHE A 29 4.477 1.362 7.931 1.00 1.05 C ATOM 457 O PHE A 29 3.913 0.752 7.024 1.00 35.55 O ATOM 458 CB PHE A 29 2.995 3.272 8.587 1.00 62.02 C ATOM 459 CG PHE A 29 2.916 4.682 9.128 1.00 34.04 C ATOM 460 CD1 PHE A 29 2.434 5.739 8.332 1.00 50.02 C ATOM 461 CD2 PHE A 29 3.385 4.941 10.429 1.00 52.41 C ATOM 462 CE1 PHE A 29 2.463 7.055 8.826 1.00 15.23 C ATOM 463 CE2 PHE A 29 3.373 6.247 10.937 1.00 74.13 C ATOM 464 CZ PHE A 29 2.929 7.303 10.130 1.00 12.22 C ATOM 0 H PHE A 29 4.345 2.807 5.925 1.00 44.34 H new ATOM 0 HA PHE A 29 5.128 3.296 8.669 1.00 63.32 H new ATOM 0 HB2 PHE A 29 2.239 3.151 7.811 1.00 62.02 H new ATOM 0 HB3 PHE A 29 2.745 2.575 9.387 1.00 62.02 H new ATOM 0 HD1 PHE A 29 2.043 5.539 7.345 1.00 50.02 H new ATOM 0 HD2 PHE A 29 3.756 4.130 11.039 1.00 52.41 H new ATOM 0 HE1 PHE A 29 2.128 7.873 8.206 1.00 15.23 H new ATOM 0 HE2 PHE A 29 3.705 6.439 11.947 1.00 74.13 H new ATOM 0 HZ PHE A 29 2.945 8.313 10.511 1.00 12.22 H new ATOM 474 N LYS A 30 5.175 0.761 8.905 1.00 34.15 N ATOM 475 CA LYS A 30 5.423 -0.683 9.027 1.00 14.45 C ATOM 476 C LYS A 30 4.189 -1.486 9.423 1.00 64.55 C ATOM 477 O LYS A 30 3.918 -2.519 8.816 1.00 4.13 O ATOM 478 CB LYS A 30 6.530 -0.964 10.056 1.00 3.12 C ATOM 479 CG LYS A 30 7.962 -0.605 9.635 1.00 22.40 C ATOM 480 CD LYS A 30 8.317 0.876 9.815 1.00 12.35 C ATOM 481 CE LYS A 30 9.830 1.040 9.617 1.00 24.01 C ATOM 482 NZ LYS A 30 10.303 2.422 9.839 1.00 2.11 N ATOM 0 H LYS A 30 5.602 1.292 9.664 1.00 34.15 H new ATOM 0 HA LYS A 30 5.727 -1.004 8.031 1.00 14.45 H new ATOM 0 HB2 LYS A 30 6.295 -0.416 10.969 1.00 3.12 H new ATOM 0 HB3 LYS A 30 6.503 -2.025 10.305 1.00 3.12 H new ATOM 0 HG2 LYS A 30 8.661 -1.208 10.215 1.00 22.40 H new ATOM 0 HG3 LYS A 30 8.100 -0.876 8.588 1.00 22.40 H new ATOM 0 HD2 LYS A 30 7.772 1.487 9.095 1.00 12.35 H new ATOM 0 HD3 LYS A 30 8.025 1.218 10.808 1.00 12.35 H new ATOM 0 HE2 LYS A 30 10.353 0.370 10.300 1.00 24.01 H new ATOM 0 HE3 LYS A 30 10.092 0.732 8.605 1.00 24.01 H new ATOM 0 HZ1 LYS A 30 11.331 2.465 9.690 1.00 2.11 H new ATOM 0 HZ2 LYS A 30 9.829 3.063 9.171 1.00 2.11 H new ATOM 0 HZ3 LYS A 30 10.082 2.712 10.813 1.00 2.11 H new ATOM 496 N LYS A 31 3.483 -1.069 10.475 1.00 54.25 N ATOM 497 CA LYS A 31 2.283 -1.750 10.965 1.00 51.42 C ATOM 498 C LYS A 31 1.148 -1.610 9.946 1.00 65.00 C ATOM 499 O LYS A 31 1.295 -0.922 8.934 1.00 20.24 O ATOM 500 CB LYS A 31 1.905 -1.099 12.323 1.00 70.14 C ATOM 501 CG LYS A 31 2.101 -1.998 13.549 1.00 72.01 C ATOM 502 CD LYS A 31 3.540 -2.495 13.735 1.00 2.25 C ATOM 503 CE LYS A 31 3.634 -3.655 14.729 1.00 32.12 C ATOM 504 NZ LYS A 31 3.109 -3.290 16.060 1.00 61.34 N ATOM 0 H LYS A 31 3.730 -0.241 11.016 1.00 54.25 H new ATOM 0 HA LYS A 31 2.463 -2.816 11.102 1.00 51.42 H new ATOM 0 HB2 LYS A 31 2.501 -0.196 12.454 1.00 70.14 H new ATOM 0 HB3 LYS A 31 0.861 -0.789 12.282 1.00 70.14 H new ATOM 0 HG2 LYS A 31 1.799 -1.449 14.441 1.00 72.01 H new ATOM 0 HG3 LYS A 31 1.438 -2.859 13.465 1.00 72.01 H new ATOM 0 HD2 LYS A 31 3.939 -2.813 12.772 1.00 2.25 H new ATOM 0 HD3 LYS A 31 4.164 -1.671 14.082 1.00 2.25 H new ATOM 0 HE2 LYS A 31 3.078 -4.509 14.342 1.00 32.12 H new ATOM 0 HE3 LYS A 31 4.674 -3.968 14.823 1.00 32.12 H new ATOM 0 HZ1 LYS A 31 3.284 -4.068 16.728 1.00 61.34 H new ATOM 0 HZ2 LYS A 31 3.586 -2.430 16.398 1.00 61.34 H new ATOM 0 HZ3 LYS A 31 2.086 -3.115 15.994 1.00 61.34 H new ATOM 518 N GLY A 32 -0.019 -2.164 10.257 1.00 71.40 N ATOM 519 CA GLY A 32 -1.215 -2.060 9.418 1.00 21.32 C ATOM 520 C GLY A 32 -2.241 -1.123 10.058 1.00 12.54 C ATOM 521 O GLY A 32 -3.156 -0.656 9.394 1.00 12.23 O ATOM 0 H GLY A 32 -0.166 -2.705 11.109 1.00 71.40 H new ATOM 0 HA2 GLY A 32 -0.942 -1.689 8.430 1.00 21.32 H new ATOM 0 HA3 GLY A 32 -1.654 -3.048 9.277 1.00 21.32 H new ATOM 525 N ASN A 33 -2.076 -0.817 11.349 1.00 62.51 N ATOM 526 CA ASN A 33 -2.954 0.011 12.164 1.00 11.13 C ATOM 527 C ASN A 33 -2.692 1.509 12.156 1.00 15.05 C ATOM 528 O ASN A 33 -3.562 2.252 12.600 1.00 52.32 O ATOM 529 CB ASN A 33 -2.926 -0.495 13.625 1.00 23.01 C ATOM 530 CG ASN A 33 -1.573 -0.507 14.351 1.00 70.22 C ATOM 531 OD1 ASN A 33 -0.708 0.486 14.216 1.00 44.34 O flip ATOM 532 ND2 ASN A 33 -1.271 -1.462 15.055 1.00 3.04 N flip ATOM 0 H ASN A 33 -1.277 -1.164 11.879 1.00 62.51 H new ATOM 0 HA ASN A 33 -3.932 -0.099 11.696 1.00 11.13 H new ATOM 0 HB2 ASN A 33 -3.613 0.120 14.206 1.00 23.01 H new ATOM 0 HB3 ASN A 33 -3.321 -1.511 13.636 1.00 23.01 H new ATOM 0 HD21 ASN A 33 -1.924 -2.237 15.171 1.00 3.04 H new ATOM 0 HD22 ASN A 33 -0.366 -1.483 15.525 1.00 3.04 H new ATOM 539 N GLN A 34 -1.497 1.966 11.783 1.00 55.33 N ATOM 540 CA GLN A 34 -1.125 3.382 11.759 1.00 52.24 C ATOM 541 C GLN A 34 -0.822 3.891 10.350 1.00 64.24 C ATOM 542 O GLN A 34 -0.213 4.947 10.201 1.00 42.22 O ATOM 543 CB GLN A 34 -0.029 3.657 12.801 1.00 62.02 C ATOM 544 CG GLN A 34 1.241 2.828 12.600 1.00 1.25 C ATOM 545 CD GLN A 34 2.303 3.064 13.666 1.00 55.11 C ATOM 546 OE1 GLN A 34 2.017 3.448 14.793 1.00 40.41 O ATOM 547 NE2 GLN A 34 3.555 2.763 13.360 1.00 52.44 N ATOM 0 H GLN A 34 -0.743 1.349 11.482 1.00 55.33 H new ATOM 0 HA GLN A 34 -1.987 3.979 12.057 1.00 52.24 H new ATOM 0 HB2 GLN A 34 0.231 4.715 12.769 1.00 62.02 H new ATOM 0 HB3 GLN A 34 -0.428 3.456 13.795 1.00 62.02 H new ATOM 0 HG2 GLN A 34 0.976 1.771 12.592 1.00 1.25 H new ATOM 0 HG3 GLN A 34 1.663 3.058 11.622 1.00 1.25 H new ATOM 0 HE21 GLN A 34 3.788 2.444 12.420 1.00 52.44 H new ATOM 0 HE22 GLN A 34 4.287 2.850 14.065 1.00 52.44 H new ATOM 556 N VAL A 35 -1.194 3.126 9.321 1.00 43.35 N ATOM 557 CA VAL A 35 -0.964 3.514 7.924 1.00 14.53 C ATOM 558 C VAL A 35 -1.577 4.893 7.603 1.00 73.24 C ATOM 559 O VAL A 35 -2.431 5.389 8.341 1.00 43.03 O ATOM 560 CB VAL A 35 -1.474 2.411 6.971 1.00 54.22 C ATOM 561 CG1 VAL A 35 -0.682 1.110 7.163 1.00 63.43 C ATOM 562 CG2 VAL A 35 -2.972 2.101 7.139 1.00 31.12 C ATOM 0 H VAL A 35 -1.660 2.225 9.429 1.00 43.35 H new ATOM 0 HA VAL A 35 0.110 3.617 7.770 1.00 14.53 H new ATOM 0 HB VAL A 35 -1.324 2.806 5.966 1.00 54.22 H new ATOM 0 HG11 VAL A 35 -1.061 0.349 6.480 1.00 63.43 H new ATOM 0 HG12 VAL A 35 0.372 1.292 6.955 1.00 63.43 H new ATOM 0 HG13 VAL A 35 -0.795 0.764 8.190 1.00 63.43 H new ATOM 0 HG21 VAL A 35 -3.262 1.318 6.439 1.00 31.12 H new ATOM 0 HG22 VAL A 35 -3.162 1.765 8.158 1.00 31.12 H new ATOM 0 HG23 VAL A 35 -3.554 3.000 6.939 1.00 31.12 H new ATOM 572 N LYS A 36 -1.121 5.531 6.522 1.00 21.54 N ATOM 573 CA LYS A 36 -1.591 6.832 6.037 1.00 32.23 C ATOM 574 C LYS A 36 -1.957 6.652 4.550 1.00 42.14 C ATOM 575 O LYS A 36 -1.630 5.600 3.975 1.00 42.05 O ATOM 576 CB LYS A 36 -0.550 7.947 6.298 1.00 54.32 C ATOM 577 CG LYS A 36 -0.918 8.922 7.432 1.00 51.51 C ATOM 578 CD LYS A 36 -0.054 10.199 7.355 1.00 42.33 C ATOM 579 CE LYS A 36 -0.345 11.239 8.449 1.00 52.54 C ATOM 580 NZ LYS A 36 -1.596 12.001 8.235 1.00 22.34 N ATOM 0 H LYS A 36 -0.384 5.139 5.936 1.00 21.54 H new ATOM 0 HA LYS A 36 -2.475 7.164 6.581 1.00 32.23 H new ATOM 0 HB2 LYS A 36 0.408 7.483 6.534 1.00 54.32 H new ATOM 0 HB3 LYS A 36 -0.410 8.517 5.379 1.00 54.32 H new ATOM 0 HG2 LYS A 36 -1.973 9.186 7.363 1.00 51.51 H new ATOM 0 HG3 LYS A 36 -0.773 8.437 8.397 1.00 51.51 H new ATOM 0 HD2 LYS A 36 0.997 9.914 7.414 1.00 42.33 H new ATOM 0 HD3 LYS A 36 -0.204 10.665 6.381 1.00 42.33 H new ATOM 0 HE2 LYS A 36 -0.400 10.732 9.413 1.00 52.54 H new ATOM 0 HE3 LYS A 36 0.490 11.938 8.503 1.00 52.54 H new ATOM 0 HZ1 LYS A 36 -1.725 12.681 9.011 1.00 22.34 H new ATOM 0 HZ2 LYS A 36 -1.541 12.513 7.331 1.00 22.34 H new ATOM 0 HZ3 LYS A 36 -2.403 11.345 8.212 1.00 22.34 H new ATOM 594 N PRO A 37 -2.623 7.625 3.906 1.00 65.10 N ATOM 595 CA PRO A 37 -3.034 7.519 2.518 1.00 61.04 C ATOM 596 C PRO A 37 -1.946 7.928 1.506 1.00 22.22 C ATOM 597 O PRO A 37 -1.702 9.109 1.266 1.00 45.32 O ATOM 598 CB PRO A 37 -4.294 8.381 2.484 1.00 4.05 C ATOM 599 CG PRO A 37 -3.956 9.553 3.407 1.00 10.41 C ATOM 600 CD PRO A 37 -3.079 8.894 4.470 1.00 31.20 C ATOM 0 HA PRO A 37 -3.220 6.492 2.203 1.00 61.04 H new ATOM 0 HB2 PRO A 37 -4.520 8.720 1.473 1.00 4.05 H new ATOM 0 HB3 PRO A 37 -5.166 7.831 2.838 1.00 4.05 H new ATOM 0 HG2 PRO A 37 -3.427 10.346 2.879 1.00 10.41 H new ATOM 0 HG3 PRO A 37 -4.851 10.000 3.839 1.00 10.41 H new ATOM 0 HD2 PRO A 37 -2.232 9.532 4.724 1.00 31.20 H new ATOM 0 HD3 PRO A 37 -3.641 8.730 5.389 1.00 31.20 H new ATOM 608 N LEU A 38 -1.308 6.939 0.871 1.00 55.13 N ATOM 609 CA LEU A 38 -0.262 7.155 -0.135 1.00 74.41 C ATOM 610 C LEU A 38 -0.910 7.499 -1.488 1.00 42.42 C ATOM 611 O LEU A 38 -2.102 7.224 -1.693 1.00 21.44 O ATOM 612 CB LEU A 38 0.576 5.872 -0.333 1.00 61.43 C ATOM 613 CG LEU A 38 1.596 5.450 0.744 1.00 24.43 C ATOM 614 CD1 LEU A 38 2.630 6.530 1.070 1.00 64.01 C ATOM 615 CD2 LEU A 38 0.929 4.946 2.025 1.00 44.04 C ATOM 0 H LEU A 38 -1.506 5.953 1.043 1.00 55.13 H new ATOM 0 HA LEU A 38 0.376 7.968 0.212 1.00 74.41 H new ATOM 0 HB2 LEU A 38 -0.122 5.045 -0.462 1.00 61.43 H new ATOM 0 HB3 LEU A 38 1.120 5.980 -1.271 1.00 61.43 H new ATOM 0 HG LEU A 38 2.136 4.618 0.293 1.00 24.43 H new ATOM 0 HD11 LEU A 38 3.313 6.161 1.835 1.00 64.01 H new ATOM 0 HD12 LEU A 38 3.193 6.778 0.170 1.00 64.01 H new ATOM 0 HD13 LEU A 38 2.122 7.422 1.437 1.00 64.01 H new ATOM 0 HD21 LEU A 38 1.695 4.663 2.747 1.00 44.04 H new ATOM 0 HD22 LEU A 38 0.307 5.736 2.446 1.00 44.04 H new ATOM 0 HD23 LEU A 38 0.309 4.079 1.796 1.00 44.04 H new ATOM 627 N LYS A 39 -0.113 8.005 -2.442 1.00 71.32 N ATOM 628 CA LYS A 39 -0.537 8.378 -3.800 1.00 11.45 C ATOM 629 C LYS A 39 -1.227 7.221 -4.511 1.00 10.21 C ATOM 630 O LYS A 39 -0.891 6.054 -4.285 1.00 23.21 O ATOM 631 CB LYS A 39 0.688 8.839 -4.642 1.00 21.30 C ATOM 632 CG LYS A 39 0.333 9.361 -6.047 1.00 71.23 C ATOM 633 CD LYS A 39 1.540 9.486 -6.984 1.00 14.24 C ATOM 634 CE LYS A 39 1.085 9.889 -8.392 1.00 1.32 C ATOM 635 NZ LYS A 39 0.409 8.777 -9.093 1.00 14.24 N ATOM 0 H LYS A 39 0.881 8.172 -2.283 1.00 71.32 H new ATOM 0 HA LYS A 39 -1.249 9.198 -3.703 1.00 11.45 H new ATOM 0 HB2 LYS A 39 1.213 9.624 -4.098 1.00 21.30 H new ATOM 0 HB3 LYS A 39 1.380 8.003 -4.742 1.00 21.30 H new ATOM 0 HG2 LYS A 39 -0.398 8.691 -6.499 1.00 71.23 H new ATOM 0 HG3 LYS A 39 -0.144 10.336 -5.952 1.00 71.23 H new ATOM 0 HD2 LYS A 39 2.236 10.228 -6.594 1.00 14.24 H new ATOM 0 HD3 LYS A 39 2.076 8.538 -7.026 1.00 14.24 H new ATOM 0 HE2 LYS A 39 0.408 10.741 -8.325 1.00 1.32 H new ATOM 0 HE3 LYS A 39 1.948 10.213 -8.973 1.00 1.32 H new ATOM 0 HZ1 LYS A 39 -0.395 9.148 -9.638 1.00 14.24 H new ATOM 0 HZ2 LYS A 39 1.080 8.314 -9.738 1.00 14.24 H new ATOM 0 HZ3 LYS A 39 0.066 8.085 -8.396 1.00 14.24 H new ATOM 649 N ILE A 40 -2.223 7.525 -5.343 1.00 40.23 N ATOM 650 CA ILE A 40 -2.916 6.515 -6.124 1.00 14.31 C ATOM 651 C ILE A 40 -1.857 5.944 -7.074 1.00 73.52 C ATOM 652 O ILE A 40 -1.140 6.696 -7.738 1.00 52.12 O ATOM 653 CB ILE A 40 -4.124 7.132 -6.868 1.00 43.02 C ATOM 654 CG1 ILE A 40 -4.945 6.094 -7.659 1.00 52.32 C ATOM 655 CG2 ILE A 40 -3.717 8.235 -7.855 1.00 64.52 C ATOM 656 CD1 ILE A 40 -5.557 5.016 -6.770 1.00 3.33 C ATOM 0 H ILE A 40 -2.566 8.474 -5.490 1.00 40.23 H new ATOM 0 HA ILE A 40 -3.341 5.723 -5.506 1.00 14.31 H new ATOM 0 HB ILE A 40 -4.733 7.551 -6.067 1.00 43.02 H new ATOM 0 HG12 ILE A 40 -5.741 6.605 -8.201 1.00 52.32 H new ATOM 0 HG13 ILE A 40 -4.304 5.622 -8.404 1.00 52.32 H new ATOM 0 HG21 ILE A 40 -4.606 8.630 -8.347 1.00 64.52 H new ATOM 0 HG22 ILE A 40 -3.214 9.038 -7.316 1.00 64.52 H new ATOM 0 HG23 ILE A 40 -3.042 7.822 -8.604 1.00 64.52 H new ATOM 0 HD11 ILE A 40 -6.122 4.315 -7.384 1.00 3.33 H new ATOM 0 HD12 ILE A 40 -4.764 4.482 -6.247 1.00 3.33 H new ATOM 0 HD13 ILE A 40 -6.223 5.479 -6.042 1.00 3.33 H new ATOM 668 N GLY A 41 -1.701 4.624 -7.095 1.00 54.34 N ATOM 669 CA GLY A 41 -0.725 3.991 -7.967 1.00 0.31 C ATOM 670 C GLY A 41 0.730 4.287 -7.618 1.00 13.25 C ATOM 671 O GLY A 41 1.578 4.072 -8.477 1.00 0.01 O ATOM 0 H GLY A 41 -2.238 3.976 -6.519 1.00 54.34 H new ATOM 0 HA2 GLY A 41 -0.879 2.912 -7.939 1.00 0.31 H new ATOM 0 HA3 GLY A 41 -0.911 4.313 -8.992 1.00 0.31 H new ATOM 675 N ILE A 42 1.042 4.701 -6.380 1.00 54.21 N ATOM 676 CA ILE A 42 2.386 5.022 -5.886 1.00 11.40 C ATOM 677 C ILE A 42 3.371 3.896 -6.196 1.00 54.14 C ATOM 678 O ILE A 42 4.570 4.137 -6.264 1.00 61.32 O ATOM 679 CB ILE A 42 2.344 5.288 -4.361 1.00 12.33 C ATOM 680 CG1 ILE A 42 3.662 5.945 -3.904 1.00 12.41 C ATOM 681 CG2 ILE A 42 2.019 4.020 -3.540 1.00 31.23 C ATOM 682 CD1 ILE A 42 3.596 6.531 -2.494 1.00 33.14 C ATOM 0 H ILE A 42 0.327 4.826 -5.663 1.00 54.21 H new ATOM 0 HA ILE A 42 2.728 5.922 -6.397 1.00 11.40 H new ATOM 0 HB ILE A 42 1.524 5.980 -4.169 1.00 12.33 H new ATOM 0 HG12 ILE A 42 4.461 5.204 -3.944 1.00 12.41 H new ATOM 0 HG13 ILE A 42 3.926 6.736 -4.605 1.00 12.41 H new ATOM 0 HG21 ILE A 42 2.003 4.268 -2.479 1.00 31.23 H new ATOM 0 HG22 ILE A 42 1.044 3.634 -3.837 1.00 31.23 H new ATOM 0 HG23 ILE A 42 2.780 3.262 -3.724 1.00 31.23 H new ATOM 0 HD11 ILE A 42 4.558 6.976 -2.240 1.00 33.14 H new ATOM 0 HD12 ILE A 42 2.820 7.296 -2.454 1.00 33.14 H new ATOM 0 HD13 ILE A 42 3.363 5.740 -1.782 1.00 33.14 H new ATOM 694 N PHE A 43 2.882 2.659 -6.339 1.00 62.25 N ATOM 695 CA PHE A 43 3.709 1.527 -6.655 1.00 52.22 C ATOM 696 C PHE A 43 4.467 1.804 -7.951 1.00 43.33 C ATOM 697 O PHE A 43 5.621 1.422 -8.031 1.00 4.51 O ATOM 698 CB PHE A 43 2.817 0.285 -6.799 1.00 73.31 C ATOM 699 CG PHE A 43 3.409 -0.728 -7.753 1.00 42.44 C ATOM 700 CD1 PHE A 43 3.017 -0.720 -9.102 1.00 22.22 C ATOM 701 CD2 PHE A 43 4.459 -1.552 -7.329 1.00 65.35 C ATOM 702 CE1 PHE A 43 3.690 -1.535 -10.028 1.00 2.33 C ATOM 703 CE2 PHE A 43 5.146 -2.356 -8.256 1.00 75.04 C ATOM 704 CZ PHE A 43 4.766 -2.340 -9.611 1.00 15.44 C ATOM 0 H PHE A 43 1.893 2.431 -6.235 1.00 62.25 H new ATOM 0 HA PHE A 43 4.434 1.351 -5.861 1.00 52.22 H new ATOM 0 HB2 PHE A 43 2.676 -0.176 -5.821 1.00 73.31 H new ATOM 0 HB3 PHE A 43 1.831 0.585 -7.154 1.00 73.31 H new ATOM 0 HD1 PHE A 43 2.202 -0.090 -9.426 1.00 22.22 H new ATOM 0 HD2 PHE A 43 4.742 -1.570 -6.287 1.00 65.35 H new ATOM 0 HE1 PHE A 43 3.380 -1.544 -11.063 1.00 2.33 H new ATOM 0 HE2 PHE A 43 5.962 -2.983 -7.929 1.00 75.04 H new ATOM 0 HZ PHE A 43 5.299 -2.945 -10.330 1.00 15.44 H new ATOM 714 N ASP A 44 3.830 2.426 -8.947 1.00 32.33 N ATOM 715 CA ASP A 44 4.455 2.712 -10.238 1.00 23.24 C ATOM 716 C ASP A 44 5.585 3.734 -10.103 1.00 71.31 C ATOM 717 O ASP A 44 6.482 3.774 -10.947 1.00 0.23 O ATOM 718 CB ASP A 44 3.428 3.199 -11.269 1.00 24.11 C ATOM 719 CG ASP A 44 2.377 2.153 -11.637 1.00 2.33 C ATOM 720 OD1 ASP A 44 1.168 2.437 -11.492 1.00 34.13 O ATOM 721 OD2 ASP A 44 2.714 1.043 -12.108 1.00 53.25 O ATOM 0 H ASP A 44 2.864 2.746 -8.879 1.00 32.33 H new ATOM 0 HA ASP A 44 4.880 1.773 -10.593 1.00 23.24 H new ATOM 0 HB2 ASP A 44 2.925 4.083 -10.877 1.00 24.11 H new ATOM 0 HB3 ASP A 44 3.953 3.506 -12.173 1.00 24.11 H new ATOM 726 N ASP A 45 5.493 4.627 -9.116 1.00 22.12 N ATOM 727 CA ASP A 45 6.487 5.658 -8.846 1.00 25.14 C ATOM 728 C ASP A 45 7.679 5.029 -8.114 1.00 72.42 C ATOM 729 O ASP A 45 8.843 5.160 -8.488 1.00 20.23 O ATOM 730 CB ASP A 45 5.828 6.757 -7.983 1.00 1.40 C ATOM 731 CG ASP A 45 6.559 8.102 -8.044 1.00 1.21 C ATOM 732 OD1 ASP A 45 6.168 9.016 -7.283 1.00 61.40 O ATOM 733 OD2 ASP A 45 7.460 8.288 -8.891 1.00 24.41 O ATOM 0 H ASP A 45 4.705 4.651 -8.469 1.00 22.12 H new ATOM 0 HA ASP A 45 6.849 6.101 -9.774 1.00 25.14 H new ATOM 0 HB2 ASP A 45 4.798 6.897 -8.311 1.00 1.40 H new ATOM 0 HB3 ASP A 45 5.789 6.420 -6.947 1.00 1.40 H new ATOM 738 N LEU A 46 7.352 4.272 -7.067 1.00 20.31 N ATOM 739 CA LEU A 46 8.243 3.566 -6.162 1.00 44.42 C ATOM 740 C LEU A 46 9.039 2.462 -6.844 1.00 53.33 C ATOM 741 O LEU A 46 10.237 2.307 -6.592 1.00 12.54 O ATOM 742 CB LEU A 46 7.361 3.002 -5.031 1.00 1.24 C ATOM 743 CG LEU A 46 8.050 2.161 -3.942 1.00 71.14 C ATOM 744 CD1 LEU A 46 8.271 0.706 -4.379 1.00 60.40 C ATOM 745 CD2 LEU A 46 9.336 2.806 -3.419 1.00 52.21 C ATOM 0 H LEU A 46 6.374 4.128 -6.814 1.00 20.31 H new ATOM 0 HA LEU A 46 8.996 4.254 -5.779 1.00 44.42 H new ATOM 0 HB2 LEU A 46 6.863 3.840 -4.543 1.00 1.24 H new ATOM 0 HB3 LEU A 46 6.582 2.390 -5.486 1.00 1.24 H new ATOM 0 HG LEU A 46 7.357 2.135 -3.101 1.00 71.14 H new ATOM 0 HD11 LEU A 46 8.760 0.155 -3.576 1.00 60.40 H new ATOM 0 HD12 LEU A 46 7.310 0.244 -4.603 1.00 60.40 H new ATOM 0 HD13 LEU A 46 8.900 0.685 -5.269 1.00 60.40 H new ATOM 0 HD21 LEU A 46 9.778 2.168 -2.653 1.00 52.21 H new ATOM 0 HD22 LEU A 46 10.042 2.929 -4.241 1.00 52.21 H new ATOM 0 HD23 LEU A 46 9.106 3.781 -2.990 1.00 52.21 H new ATOM 757 N ILE A 47 8.385 1.655 -7.677 1.00 41.52 N ATOM 758 CA ILE A 47 9.039 0.554 -8.364 1.00 0.42 C ATOM 759 C ILE A 47 10.175 1.061 -9.246 1.00 13.01 C ATOM 760 O ILE A 47 11.131 0.322 -9.445 1.00 63.05 O ATOM 761 CB ILE A 47 8.014 -0.273 -9.162 1.00 42.32 C ATOM 762 CG1 ILE A 47 8.564 -1.675 -9.511 1.00 35.05 C ATOM 763 CG2 ILE A 47 7.493 0.501 -10.389 1.00 63.23 C ATOM 764 CD1 ILE A 47 9.113 -1.808 -10.933 1.00 13.34 C ATOM 0 H ILE A 47 7.392 1.749 -7.891 1.00 41.52 H new ATOM 0 HA ILE A 47 9.482 -0.107 -7.619 1.00 0.42 H new ATOM 0 HB ILE A 47 7.147 -0.441 -8.523 1.00 42.32 H new ATOM 0 HG12 ILE A 47 9.356 -1.926 -8.805 1.00 35.05 H new ATOM 0 HG13 ILE A 47 7.769 -2.408 -9.373 1.00 35.05 H new ATOM 0 HG21 ILE A 47 6.772 -0.114 -10.928 1.00 63.23 H new ATOM 0 HG22 ILE A 47 7.011 1.422 -10.061 1.00 63.23 H new ATOM 0 HG23 ILE A 47 8.327 0.743 -11.048 1.00 63.23 H new ATOM 0 HD11 ILE A 47 9.477 -2.824 -11.089 1.00 13.34 H new ATOM 0 HD12 ILE A 47 8.321 -1.592 -11.650 1.00 13.34 H new ATOM 0 HD13 ILE A 47 9.933 -1.103 -11.074 1.00 13.34 H new ATOM 776 N ASP A 48 10.109 2.303 -9.745 1.00 71.42 N ATOM 777 CA ASP A 48 11.170 2.822 -10.607 1.00 63.21 C ATOM 778 C ASP A 48 12.501 2.788 -9.836 1.00 32.24 C ATOM 779 O ASP A 48 13.542 2.393 -10.356 1.00 21.52 O ATOM 780 CB ASP A 48 10.821 4.228 -11.122 1.00 33.15 C ATOM 781 CG ASP A 48 11.417 4.519 -12.504 1.00 45.34 C ATOM 782 OD1 ASP A 48 10.668 5.015 -13.381 1.00 34.14 O ATOM 783 OD2 ASP A 48 12.618 4.262 -12.747 1.00 43.05 O ATOM 0 H ASP A 48 9.344 2.954 -9.568 1.00 71.42 H new ATOM 0 HA ASP A 48 11.272 2.193 -11.491 1.00 63.21 H new ATOM 0 HB2 ASP A 48 9.737 4.334 -11.169 1.00 33.15 H new ATOM 0 HB3 ASP A 48 11.183 4.971 -10.411 1.00 33.15 H new ATOM 788 N PHE A 49 12.443 3.119 -8.541 1.00 64.15 N ATOM 789 CA PHE A 49 13.584 3.122 -7.631 1.00 52.11 C ATOM 790 C PHE A 49 14.097 1.675 -7.447 1.00 35.13 C ATOM 791 O PHE A 49 15.285 1.456 -7.223 1.00 22.31 O ATOM 792 CB PHE A 49 13.168 3.802 -6.314 1.00 61.55 C ATOM 793 CG PHE A 49 14.272 4.525 -5.562 1.00 72.52 C ATOM 794 CD1 PHE A 49 14.362 5.930 -5.614 1.00 42.12 C ATOM 795 CD2 PHE A 49 15.141 3.810 -4.720 1.00 22.33 C ATOM 796 CE1 PHE A 49 15.312 6.610 -4.830 1.00 12.02 C ATOM 797 CE2 PHE A 49 16.051 4.492 -3.894 1.00 3.02 C ATOM 798 CZ PHE A 49 16.147 5.893 -3.957 1.00 32.04 C ATOM 0 H PHE A 49 11.573 3.400 -8.088 1.00 64.15 H new ATOM 0 HA PHE A 49 14.417 3.696 -8.037 1.00 52.11 H new ATOM 0 HB2 PHE A 49 12.375 4.517 -6.532 1.00 61.55 H new ATOM 0 HB3 PHE A 49 12.742 3.045 -5.656 1.00 61.55 H new ATOM 0 HD1 PHE A 49 13.699 6.488 -6.259 1.00 42.12 H new ATOM 0 HD2 PHE A 49 15.109 2.731 -4.708 1.00 22.33 H new ATOM 0 HE1 PHE A 49 15.399 7.684 -4.899 1.00 12.02 H new ATOM 0 HE2 PHE A 49 16.677 3.939 -3.210 1.00 3.02 H new ATOM 0 HZ PHE A 49 16.860 6.416 -3.337 1.00 32.04 H new ATOM 808 N TYR A 50 13.219 0.663 -7.515 1.00 34.13 N ATOM 809 CA TYR A 50 13.584 -0.754 -7.399 1.00 12.43 C ATOM 810 C TYR A 50 14.339 -1.162 -8.681 1.00 44.42 C ATOM 811 O TYR A 50 15.199 -2.044 -8.647 1.00 33.43 O ATOM 812 CB TYR A 50 12.351 -1.640 -7.122 1.00 63.24 C ATOM 813 CG TYR A 50 12.334 -2.972 -7.856 1.00 42.31 C ATOM 814 CD1 TYR A 50 12.822 -4.145 -7.252 1.00 43.20 C ATOM 815 CD2 TYR A 50 11.895 -3.014 -9.191 1.00 41.51 C ATOM 816 CE1 TYR A 50 12.852 -5.347 -7.984 1.00 51.01 C ATOM 817 CE2 TYR A 50 11.933 -4.205 -9.930 1.00 61.13 C ATOM 818 CZ TYR A 50 12.415 -5.385 -9.330 1.00 12.11 C ATOM 819 OH TYR A 50 12.473 -6.533 -10.063 1.00 31.24 O ATOM 0 H TYR A 50 12.219 0.810 -7.654 1.00 34.13 H new ATOM 0 HA TYR A 50 14.240 -0.903 -6.541 1.00 12.43 H new ATOM 0 HB2 TYR A 50 12.295 -1.833 -6.051 1.00 63.24 H new ATOM 0 HB3 TYR A 50 11.454 -1.082 -7.393 1.00 63.24 H new ATOM 0 HD1 TYR A 50 13.172 -4.123 -6.231 1.00 43.20 H new ATOM 0 HD2 TYR A 50 11.522 -2.113 -9.655 1.00 41.51 H new ATOM 0 HE1 TYR A 50 13.212 -6.250 -7.514 1.00 51.01 H new ATOM 0 HE2 TYR A 50 11.594 -4.218 -10.955 1.00 61.13 H new ATOM 0 HH TYR A 50 12.128 -6.363 -10.964 1.00 31.24 H new ATOM 829 N GLU A 51 14.029 -0.548 -9.831 1.00 21.03 N ATOM 830 CA GLU A 51 14.718 -0.838 -11.093 1.00 21.53 C ATOM 831 C GLU A 51 16.118 -0.196 -11.063 1.00 31.20 C ATOM 832 O GLU A 51 16.954 -0.446 -11.932 1.00 64.22 O ATOM 833 CB GLU A 51 13.873 -0.446 -12.322 1.00 24.14 C ATOM 834 CG GLU A 51 12.533 -1.197 -12.317 1.00 32.43 C ATOM 835 CD GLU A 51 11.805 -1.203 -13.659 1.00 54.44 C ATOM 836 OE1 GLU A 51 10.942 -0.329 -13.913 1.00 0.00 O ATOM 837 OE2 GLU A 51 11.983 -2.158 -14.450 1.00 42.31 O ATOM 0 H GLU A 51 13.298 0.159 -9.911 1.00 21.03 H new ATOM 0 HA GLU A 51 14.853 -1.915 -11.196 1.00 21.53 H new ATOM 0 HB2 GLU A 51 13.694 0.629 -12.319 1.00 24.14 H new ATOM 0 HB3 GLU A 51 14.421 -0.675 -13.236 1.00 24.14 H new ATOM 0 HG2 GLU A 51 12.710 -2.228 -12.009 1.00 32.43 H new ATOM 0 HG3 GLU A 51 11.882 -0.748 -11.567 1.00 32.43 H new ATOM 844 N ARG A 52 16.401 0.638 -10.054 1.00 34.34 N ATOM 845 CA ARG A 52 17.688 1.288 -9.887 1.00 21.34 C ATOM 846 C ARG A 52 18.667 0.332 -9.198 1.00 10.33 C ATOM 847 O ARG A 52 19.875 0.482 -9.394 1.00 42.20 O ATOM 848 CB ARG A 52 17.488 2.557 -9.040 1.00 64.03 C ATOM 849 CG ARG A 52 18.549 3.627 -9.289 1.00 31.35 C ATOM 850 CD ARG A 52 18.303 4.388 -10.593 1.00 42.23 C ATOM 851 NE ARG A 52 19.276 5.478 -10.710 1.00 3.13 N ATOM 852 CZ ARG A 52 20.413 5.474 -11.411 1.00 52.23 C ATOM 853 NH1 ARG A 52 20.695 4.532 -12.309 1.00 30.40 N ATOM 854 NH2 ARG A 52 21.291 6.439 -11.180 1.00 44.30 N ATOM 0 H ARG A 52 15.727 0.877 -9.326 1.00 34.34 H new ATOM 0 HA ARG A 52 18.102 1.559 -10.858 1.00 21.34 H new ATOM 0 HB2 ARG A 52 16.504 2.975 -9.253 1.00 64.03 H new ATOM 0 HB3 ARG A 52 17.498 2.285 -7.984 1.00 64.03 H new ATOM 0 HG2 ARG A 52 18.557 4.330 -8.456 1.00 31.35 H new ATOM 0 HG3 ARG A 52 19.533 3.160 -9.322 1.00 31.35 H new ATOM 0 HD2 ARG A 52 18.393 3.713 -11.444 1.00 42.23 H new ATOM 0 HD3 ARG A 52 17.289 4.787 -10.608 1.00 42.23 H new ATOM 0 HE ARG A 52 19.061 6.335 -10.200 1.00 3.13 H new ATOM 0 HH11 ARG A 52 20.031 3.777 -12.482 1.00 30.40 H new ATOM 0 HH12 ARG A 52 21.575 4.565 -12.824 1.00 30.40 H new ATOM 0 HH21 ARG A 52 21.089 7.156 -10.484 1.00 44.30 H new ATOM 0 HH22 ARG A 52 22.169 6.464 -11.699 1.00 44.30 H new ATOM 868 N LEU A 53 18.199 -0.649 -8.412 1.00 53.43 N ATOM 869 CA LEU A 53 19.039 -1.612 -7.720 1.00 4.43 C ATOM 870 C LEU A 53 19.769 -2.457 -8.753 1.00 0.11 C ATOM 871 O LEU A 53 19.216 -2.767 -9.810 1.00 40.31 O ATOM 872 CB LEU A 53 18.177 -2.541 -6.838 1.00 4.40 C ATOM 873 CG LEU A 53 17.097 -1.830 -6.003 1.00 11.41 C ATOM 874 CD1 LEU A 53 16.240 -2.849 -5.249 1.00 61.02 C ATOM 875 CD2 LEU A 53 17.676 -0.781 -5.060 1.00 75.23 C ATOM 0 H LEU A 53 17.203 -0.790 -8.242 1.00 53.43 H new ATOM 0 HA LEU A 53 19.749 -1.077 -7.089 1.00 4.43 H new ATOM 0 HB2 LEU A 53 17.693 -3.278 -7.479 1.00 4.40 H new ATOM 0 HB3 LEU A 53 18.835 -3.089 -6.163 1.00 4.40 H new ATOM 0 HG LEU A 53 16.457 -1.290 -6.701 1.00 11.41 H new ATOM 0 HD11 LEU A 53 15.483 -2.326 -4.665 1.00 61.02 H new ATOM 0 HD12 LEU A 53 15.753 -3.514 -5.962 1.00 61.02 H new ATOM 0 HD13 LEU A 53 16.873 -3.434 -4.582 1.00 61.02 H new ATOM 0 HD21 LEU A 53 16.869 -0.313 -4.497 1.00 75.23 H new ATOM 0 HD22 LEU A 53 18.371 -1.257 -4.369 1.00 75.23 H new ATOM 0 HD23 LEU A 53 18.202 -0.022 -5.639 1.00 75.23 H new ATOM 887 N ASP A 54 21.007 -2.834 -8.455 1.00 32.45 N ATOM 888 CA ASP A 54 21.807 -3.672 -9.344 1.00 73.31 C ATOM 889 C ASP A 54 21.362 -5.126 -9.181 1.00 51.04 C ATOM 890 O ASP A 54 21.356 -5.884 -10.153 1.00 2.42 O ATOM 891 CB ASP A 54 23.298 -3.558 -8.993 1.00 12.52 C ATOM 892 CG ASP A 54 24.197 -4.206 -10.052 1.00 23.04 C ATOM 893 OD1 ASP A 54 24.863 -3.455 -10.801 1.00 1.22 O ATOM 894 OD2 ASP A 54 24.281 -5.452 -10.147 1.00 73.43 O ATOM 0 H ASP A 54 21.484 -2.569 -7.593 1.00 32.45 H new ATOM 0 HA ASP A 54 21.663 -3.342 -10.373 1.00 73.31 H new ATOM 0 HB2 ASP A 54 23.565 -2.506 -8.888 1.00 12.52 H new ATOM 0 HB3 ASP A 54 23.479 -4.031 -8.028 1.00 12.52 H new ATOM 899 N THR A 55 20.904 -5.489 -7.977 1.00 64.21 N ATOM 900 CA THR A 55 20.470 -6.836 -7.622 1.00 23.13 C ATOM 901 C THR A 55 19.053 -6.846 -7.028 1.00 4.21 C ATOM 902 O THR A 55 18.911 -6.896 -5.807 1.00 22.42 O ATOM 903 CB THR A 55 21.515 -7.465 -6.675 1.00 40.12 C ATOM 904 OG1 THR A 55 21.642 -6.672 -5.508 1.00 51.42 O ATOM 905 CG2 THR A 55 22.897 -7.625 -7.320 1.00 52.24 C ATOM 0 H THR A 55 20.825 -4.830 -7.203 1.00 64.21 H new ATOM 0 HA THR A 55 20.408 -7.444 -8.525 1.00 23.13 H new ATOM 0 HB THR A 55 21.151 -8.463 -6.432 1.00 40.12 H new ATOM 0 HG1 THR A 55 20.751 -6.446 -5.168 1.00 51.42 H new ATOM 0 HG21 THR A 55 23.584 -8.072 -6.602 1.00 52.24 H new ATOM 0 HG22 THR A 55 22.817 -8.269 -8.196 1.00 52.24 H new ATOM 0 HG23 THR A 55 23.273 -6.647 -7.622 1.00 52.24 H new ATOM 913 N PRO A 56 17.999 -6.786 -7.856 1.00 2.23 N ATOM 914 CA PRO A 56 16.609 -6.813 -7.423 1.00 60.13 C ATOM 915 C PRO A 56 16.289 -8.213 -6.871 1.00 51.52 C ATOM 916 O PRO A 56 16.248 -9.172 -7.652 1.00 61.20 O ATOM 917 CB PRO A 56 15.809 -6.515 -8.690 1.00 34.50 C ATOM 918 CG PRO A 56 16.693 -6.986 -9.836 1.00 43.22 C ATOM 919 CD PRO A 56 18.085 -6.705 -9.300 1.00 22.22 C ATOM 0 HA PRO A 56 16.380 -6.097 -6.634 1.00 60.13 H new ATOM 0 HB2 PRO A 56 14.854 -7.041 -8.686 1.00 34.50 H new ATOM 0 HB3 PRO A 56 15.587 -5.451 -8.775 1.00 34.50 H new ATOM 0 HG2 PRO A 56 16.547 -8.044 -10.056 1.00 43.22 H new ATOM 0 HG3 PRO A 56 16.493 -6.438 -10.757 1.00 43.22 H new ATOM 0 HD2 PRO A 56 18.802 -7.429 -9.686 1.00 22.22 H new ATOM 0 HD3 PRO A 56 18.428 -5.719 -9.613 1.00 22.22 H new ATOM 927 N PRO A 57 16.058 -8.400 -5.562 1.00 61.12 N ATOM 928 CA PRO A 57 15.781 -9.722 -5.027 1.00 61.32 C ATOM 929 C PRO A 57 14.364 -10.197 -5.370 1.00 73.12 C ATOM 930 O PRO A 57 14.208 -11.255 -5.990 1.00 1.21 O ATOM 931 CB PRO A 57 16.064 -9.593 -3.535 1.00 44.34 C ATOM 932 CG PRO A 57 15.697 -8.147 -3.209 1.00 62.41 C ATOM 933 CD PRO A 57 16.057 -7.403 -4.497 1.00 65.51 C ATOM 0 HA PRO A 57 16.404 -10.501 -5.467 1.00 61.32 H new ATOM 0 HB2 PRO A 57 15.467 -10.296 -2.954 1.00 44.34 H new ATOM 0 HB3 PRO A 57 17.110 -9.799 -3.309 1.00 44.34 H new ATOM 0 HG2 PRO A 57 14.640 -8.044 -2.965 1.00 62.41 H new ATOM 0 HG3 PRO A 57 16.259 -7.770 -2.355 1.00 62.41 H new ATOM 0 HD2 PRO A 57 15.334 -6.614 -4.705 1.00 65.51 H new ATOM 0 HD3 PRO A 57 17.033 -6.926 -4.410 1.00 65.51 H new ATOM 941 N PHE A 58 13.333 -9.433 -5.001 1.00 11.51 N ATOM 942 CA PHE A 58 11.933 -9.758 -5.248 1.00 43.44 C ATOM 943 C PHE A 58 11.424 -8.981 -6.462 1.00 1.33 C ATOM 944 O PHE A 58 11.603 -7.767 -6.536 1.00 62.30 O ATOM 945 CB PHE A 58 11.095 -9.438 -3.996 1.00 61.43 C ATOM 946 CG PHE A 58 10.532 -10.669 -3.309 1.00 52.31 C ATOM 947 CD1 PHE A 58 9.600 -11.461 -3.994 1.00 11.55 C ATOM 948 CD2 PHE A 58 10.953 -11.059 -2.026 1.00 74.25 C ATOM 949 CE1 PHE A 58 9.162 -12.685 -3.465 1.00 34.33 C ATOM 950 CE2 PHE A 58 10.499 -12.271 -1.476 1.00 33.31 C ATOM 951 CZ PHE A 58 9.626 -13.098 -2.206 1.00 64.14 C ATOM 0 H PHE A 58 13.456 -8.548 -4.509 1.00 11.51 H new ATOM 0 HA PHE A 58 11.839 -10.823 -5.461 1.00 43.44 H new ATOM 0 HB2 PHE A 58 11.713 -8.887 -3.287 1.00 61.43 H new ATOM 0 HB3 PHE A 58 10.272 -8.782 -4.278 1.00 61.43 H new ATOM 0 HD1 PHE A 58 9.213 -11.124 -4.944 1.00 11.55 H new ATOM 0 HD2 PHE A 58 11.625 -10.428 -1.463 1.00 74.25 H new ATOM 0 HE1 PHE A 58 8.474 -13.304 -4.022 1.00 34.33 H new ATOM 0 HE2 PHE A 58 10.822 -12.568 -0.489 1.00 33.31 H new ATOM 0 HZ PHE A 58 9.313 -14.048 -1.799 1.00 64.14 H new ATOM 961 N SER A 59 10.764 -9.661 -7.398 1.00 34.13 N ATOM 962 CA SER A 59 10.218 -9.073 -8.612 1.00 2.43 C ATOM 963 C SER A 59 9.128 -8.047 -8.311 1.00 72.31 C ATOM 964 O SER A 59 8.358 -8.156 -7.351 1.00 43.00 O ATOM 965 CB SER A 59 9.652 -10.202 -9.479 1.00 42.21 C ATOM 966 OG SER A 59 9.322 -9.752 -10.781 1.00 22.15 O ATOM 0 H SER A 59 10.592 -10.664 -7.327 1.00 34.13 H new ATOM 0 HA SER A 59 11.015 -8.545 -9.136 1.00 2.43 H new ATOM 0 HB2 SER A 59 10.382 -11.008 -9.548 1.00 42.21 H new ATOM 0 HB3 SER A 59 8.764 -10.616 -9.002 1.00 42.21 H new ATOM 0 HG SER A 59 8.966 -10.500 -11.305 1.00 22.15 H new ATOM 972 N LYS A 60 9.005 -7.098 -9.238 1.00 51.24 N ATOM 973 CA LYS A 60 8.046 -5.998 -9.236 1.00 53.35 C ATOM 974 C LYS A 60 6.614 -6.474 -9.011 1.00 55.30 C ATOM 975 O LYS A 60 5.854 -5.799 -8.320 1.00 12.40 O ATOM 976 CB LYS A 60 8.194 -5.193 -10.539 1.00 72.54 C ATOM 977 CG LYS A 60 8.398 -6.059 -11.796 1.00 44.51 C ATOM 978 CD LYS A 60 8.022 -5.384 -13.115 1.00 34.42 C ATOM 979 CE LYS A 60 8.874 -4.188 -13.554 1.00 1.25 C ATOM 980 NZ LYS A 60 8.478 -3.709 -14.897 1.00 10.42 N ATOM 0 H LYS A 60 9.609 -7.077 -10.059 1.00 51.24 H new ATOM 0 HA LYS A 60 8.269 -5.345 -8.392 1.00 53.35 H new ATOM 0 HB2 LYS A 60 7.305 -4.578 -10.676 1.00 72.54 H new ATOM 0 HB3 LYS A 60 9.040 -4.513 -10.439 1.00 72.54 H new ATOM 0 HG2 LYS A 60 9.444 -6.360 -11.845 1.00 44.51 H new ATOM 0 HG3 LYS A 60 7.809 -6.970 -11.691 1.00 44.51 H new ATOM 0 HD2 LYS A 60 8.062 -6.136 -13.903 1.00 34.42 H new ATOM 0 HD3 LYS A 60 6.986 -5.053 -13.043 1.00 34.42 H new ATOM 0 HE2 LYS A 60 8.768 -3.379 -12.831 1.00 1.25 H new ATOM 0 HE3 LYS A 60 9.926 -4.472 -13.563 1.00 1.25 H new ATOM 0 HZ1 LYS A 60 9.073 -2.899 -15.166 1.00 10.42 H new ATOM 0 HZ2 LYS A 60 8.602 -4.475 -15.589 1.00 10.42 H new ATOM 0 HZ3 LYS A 60 7.480 -3.416 -14.881 1.00 10.42 H new ATOM 994 N LYS A 61 6.227 -7.627 -9.568 1.00 41.44 N ATOM 995 CA LYS A 61 4.879 -8.163 -9.389 1.00 62.41 C ATOM 996 C LYS A 61 4.635 -8.453 -7.914 1.00 23.11 C ATOM 997 O LYS A 61 3.596 -8.068 -7.387 1.00 52.02 O ATOM 998 CB LYS A 61 4.673 -9.418 -10.253 1.00 54.15 C ATOM 999 CG LYS A 61 3.617 -9.211 -11.336 1.00 71.33 C ATOM 1000 CD LYS A 61 4.012 -8.179 -12.397 1.00 45.42 C ATOM 1001 CE LYS A 61 2.819 -7.925 -13.321 1.00 53.24 C ATOM 1002 NZ LYS A 61 3.053 -6.763 -14.199 1.00 23.31 N ATOM 0 H LYS A 61 6.833 -8.207 -10.148 1.00 41.44 H new ATOM 0 HA LYS A 61 4.151 -7.421 -9.718 1.00 62.41 H new ATOM 0 HB2 LYS A 61 5.619 -9.694 -10.719 1.00 54.15 H new ATOM 0 HB3 LYS A 61 4.377 -10.251 -9.615 1.00 54.15 H new ATOM 0 HG2 LYS A 61 3.421 -10.165 -11.826 1.00 71.33 H new ATOM 0 HG3 LYS A 61 2.685 -8.896 -10.866 1.00 71.33 H new ATOM 0 HD2 LYS A 61 4.322 -7.249 -11.920 1.00 45.42 H new ATOM 0 HD3 LYS A 61 4.863 -8.540 -12.974 1.00 45.42 H new ATOM 0 HE2 LYS A 61 2.634 -8.810 -13.929 1.00 53.24 H new ATOM 0 HE3 LYS A 61 1.924 -7.756 -12.723 1.00 53.24 H new ATOM 0 HZ1 LYS A 61 2.225 -6.619 -14.812 1.00 23.31 H new ATOM 0 HZ2 LYS A 61 3.206 -5.914 -13.618 1.00 23.31 H new ATOM 0 HZ3 LYS A 61 3.893 -6.936 -14.787 1.00 23.31 H new ATOM 1016 N SER A 62 5.584 -9.109 -7.246 1.00 64.54 N ATOM 1017 CA SER A 62 5.488 -9.433 -5.832 1.00 3.01 C ATOM 1018 C SER A 62 5.343 -8.132 -5.043 1.00 12.23 C ATOM 1019 O SER A 62 4.491 -8.047 -4.161 1.00 73.34 O ATOM 1020 CB SER A 62 6.731 -10.223 -5.406 1.00 4.25 C ATOM 1021 OG SER A 62 6.953 -11.303 -6.301 1.00 71.41 O ATOM 0 H SER A 62 6.448 -9.432 -7.681 1.00 64.54 H new ATOM 0 HA SER A 62 4.616 -10.056 -5.633 1.00 3.01 H new ATOM 0 HB2 SER A 62 7.601 -9.567 -5.392 1.00 4.25 H new ATOM 0 HB3 SER A 62 6.601 -10.601 -4.392 1.00 4.25 H new ATOM 0 HG SER A 62 7.647 -11.892 -5.938 1.00 71.41 H new ATOM 1027 N LEU A 63 6.140 -7.112 -5.392 1.00 55.11 N ATOM 1028 CA LEU A 63 6.117 -5.797 -4.760 1.00 60.13 C ATOM 1029 C LEU A 63 4.717 -5.197 -4.882 1.00 13.12 C ATOM 1030 O LEU A 63 4.142 -4.800 -3.867 1.00 74.02 O ATOM 1031 CB LEU A 63 7.258 -4.926 -5.321 1.00 34.20 C ATOM 1032 CG LEU A 63 7.604 -3.692 -4.462 1.00 21.34 C ATOM 1033 CD1 LEU A 63 9.021 -3.181 -4.751 1.00 43.12 C ATOM 1034 CD2 LEU A 63 6.655 -2.524 -4.714 1.00 63.31 C ATOM 0 H LEU A 63 6.831 -7.186 -6.138 1.00 55.11 H new ATOM 0 HA LEU A 63 6.312 -5.866 -3.690 1.00 60.13 H new ATOM 0 HB2 LEU A 63 8.151 -5.542 -5.425 1.00 34.20 H new ATOM 0 HB3 LEU A 63 6.984 -4.591 -6.321 1.00 34.20 H new ATOM 0 HG LEU A 63 7.516 -4.031 -3.430 1.00 21.34 H new ATOM 0 HD11 LEU A 63 9.228 -2.311 -4.127 1.00 43.12 H new ATOM 0 HD12 LEU A 63 9.743 -3.967 -4.530 1.00 43.12 H new ATOM 0 HD13 LEU A 63 9.100 -2.901 -5.802 1.00 43.12 H new ATOM 0 HD21 LEU A 63 6.941 -1.681 -4.086 1.00 63.31 H new ATOM 0 HD22 LEU A 63 6.710 -2.230 -5.762 1.00 63.31 H new ATOM 0 HD23 LEU A 63 5.635 -2.826 -4.474 1.00 63.31 H new ATOM 1046 N ARG A 64 4.130 -5.161 -6.082 1.00 20.24 N ATOM 1047 CA ARG A 64 2.796 -4.600 -6.269 1.00 5.45 C ATOM 1048 C ARG A 64 1.738 -5.388 -5.520 1.00 51.43 C ATOM 1049 O ARG A 64 0.901 -4.785 -4.850 1.00 25.30 O ATOM 1050 CB ARG A 64 2.438 -4.544 -7.768 1.00 62.33 C ATOM 1051 CG ARG A 64 1.051 -3.973 -8.124 1.00 55.54 C ATOM 1052 CD ARG A 64 0.647 -2.713 -7.337 1.00 53.31 C ATOM 1053 NE ARG A 64 -0.180 -1.769 -8.111 1.00 51.42 N ATOM 1054 CZ ARG A 64 -1.471 -1.913 -8.435 1.00 21.34 C ATOM 1055 NH1 ARG A 64 -2.097 -3.061 -8.178 1.00 1.45 N ATOM 1056 NH2 ARG A 64 -2.115 -0.909 -9.018 1.00 13.14 N ATOM 0 H ARG A 64 4.561 -5.515 -6.936 1.00 20.24 H new ATOM 0 HA ARG A 64 2.814 -3.589 -5.861 1.00 5.45 H new ATOM 0 HB2 ARG A 64 3.194 -3.946 -8.277 1.00 62.33 H new ATOM 0 HB3 ARG A 64 2.505 -5.554 -8.173 1.00 62.33 H new ATOM 0 HG2 ARG A 64 1.033 -3.740 -9.189 1.00 55.54 H new ATOM 0 HG3 ARG A 64 0.301 -4.746 -7.954 1.00 55.54 H new ATOM 0 HD2 ARG A 64 0.099 -3.014 -6.444 1.00 53.31 H new ATOM 0 HD3 ARG A 64 1.549 -2.201 -7.001 1.00 53.31 H new ATOM 0 HE ARG A 64 0.279 -0.917 -8.433 1.00 51.42 H new ATOM 0 HH11 ARG A 64 -1.593 -3.829 -7.735 1.00 1.45 H new ATOM 0 HH12 ARG A 64 -3.081 -3.172 -8.424 1.00 1.45 H new ATOM 0 HH21 ARG A 64 -1.626 -0.036 -9.216 1.00 13.14 H new ATOM 0 HH22 ARG A 64 -3.099 -1.011 -9.268 1.00 13.14 H new ATOM 1070 N GLU A 65 1.740 -6.710 -5.647 1.00 44.34 N ATOM 1071 CA GLU A 65 0.754 -7.553 -4.996 1.00 44.45 C ATOM 1072 C GLU A 65 0.806 -7.414 -3.471 1.00 34.20 C ATOM 1073 O GLU A 65 -0.244 -7.327 -2.833 1.00 32.51 O ATOM 1074 CB GLU A 65 0.898 -8.984 -5.516 1.00 20.44 C ATOM 1075 CG GLU A 65 -0.384 -9.774 -5.233 1.00 0.45 C ATOM 1076 CD GLU A 65 -0.464 -11.025 -6.102 1.00 70.23 C ATOM 1077 OE1 GLU A 65 0.345 -11.964 -5.891 1.00 62.32 O ATOM 1078 OE2 GLU A 65 -1.312 -11.081 -7.023 1.00 21.20 O ATOM 0 H GLU A 65 2.424 -7.223 -6.203 1.00 44.34 H new ATOM 0 HA GLU A 65 -0.253 -7.224 -5.254 1.00 44.45 H new ATOM 0 HB2 GLU A 65 1.099 -8.972 -6.587 1.00 20.44 H new ATOM 0 HB3 GLU A 65 1.748 -9.470 -5.037 1.00 20.44 H new ATOM 0 HG2 GLU A 65 -0.415 -10.056 -4.181 1.00 0.45 H new ATOM 0 HG3 GLU A 65 -1.252 -9.142 -5.420 1.00 0.45 H new ATOM 1085 N ALA A 66 1.999 -7.334 -2.881 1.00 12.31 N ATOM 1086 CA ALA A 66 2.142 -7.173 -1.442 1.00 1.54 C ATOM 1087 C ALA A 66 1.621 -5.788 -1.030 1.00 23.13 C ATOM 1088 O ALA A 66 0.869 -5.655 -0.066 1.00 70.33 O ATOM 1089 CB ALA A 66 3.601 -7.355 -1.058 1.00 15.21 C ATOM 0 H ALA A 66 2.884 -7.379 -3.386 1.00 12.31 H new ATOM 0 HA ALA A 66 1.555 -7.927 -0.917 1.00 1.54 H new ATOM 0 HB1 ALA A 66 3.711 -7.235 0.020 1.00 15.21 H new ATOM 0 HB2 ALA A 66 3.932 -8.352 -1.348 1.00 15.21 H new ATOM 0 HB3 ALA A 66 4.208 -6.608 -1.570 1.00 15.21 H new ATOM 1095 N LEU A 67 1.945 -4.733 -1.788 1.00 1.35 N ATOM 1096 CA LEU A 67 1.455 -3.390 -1.463 1.00 75.11 C ATOM 1097 C LEU A 67 -0.078 -3.371 -1.581 1.00 10.01 C ATOM 1098 O LEU A 67 -0.762 -2.568 -0.934 1.00 64.25 O ATOM 1099 CB LEU A 67 2.079 -2.331 -2.382 1.00 44.42 C ATOM 1100 CG LEU A 67 2.676 -1.134 -1.609 1.00 53.50 C ATOM 1101 CD1 LEU A 67 3.389 -0.194 -2.589 1.00 2.55 C ATOM 1102 CD2 LEU A 67 1.632 -0.322 -0.826 1.00 41.43 C ATOM 0 H LEU A 67 2.535 -4.782 -2.618 1.00 1.35 H new ATOM 0 HA LEU A 67 1.747 -3.147 -0.441 1.00 75.11 H new ATOM 0 HB2 LEU A 67 2.862 -2.795 -2.982 1.00 44.42 H new ATOM 0 HB3 LEU A 67 1.320 -1.967 -3.074 1.00 44.42 H new ATOM 0 HG LEU A 67 3.369 -1.557 -0.882 1.00 53.50 H new ATOM 0 HD11 LEU A 67 3.810 0.650 -2.043 1.00 2.55 H new ATOM 0 HD12 LEU A 67 4.189 -0.734 -3.094 1.00 2.55 H new ATOM 0 HD13 LEU A 67 2.675 0.171 -3.327 1.00 2.55 H new ATOM 0 HD21 LEU A 67 2.125 0.501 -0.309 1.00 41.43 H new ATOM 0 HD22 LEU A 67 0.888 0.076 -1.516 1.00 41.43 H new ATOM 0 HD23 LEU A 67 1.142 -0.967 -0.097 1.00 41.43 H new ATOM 1114 N SER A 68 -0.640 -4.239 -2.430 1.00 4.44 N ATOM 1115 CA SER A 68 -2.070 -4.374 -2.632 1.00 63.15 C ATOM 1116 C SER A 68 -2.682 -4.766 -1.283 1.00 41.34 C ATOM 1117 O SER A 68 -3.685 -4.176 -0.895 1.00 41.25 O ATOM 1118 CB SER A 68 -2.348 -5.426 -3.721 1.00 42.11 C ATOM 1119 OG SER A 68 -3.467 -5.077 -4.510 1.00 73.43 O ATOM 0 H SER A 68 -0.092 -4.878 -3.005 1.00 4.44 H new ATOM 0 HA SER A 68 -2.517 -3.441 -2.976 1.00 63.15 H new ATOM 0 HB2 SER A 68 -1.471 -5.530 -4.359 1.00 42.11 H new ATOM 0 HB3 SER A 68 -2.520 -6.396 -3.255 1.00 42.11 H new ATOM 0 HG SER A 68 -3.614 -5.765 -5.192 1.00 73.43 H new ATOM 1125 N TYR A 69 -2.060 -5.710 -0.564 1.00 4.11 N ATOM 1126 CA TYR A 69 -2.523 -6.179 0.744 1.00 62.21 C ATOM 1127 C TYR A 69 -2.590 -5.015 1.732 1.00 31.24 C ATOM 1128 O TYR A 69 -3.615 -4.844 2.399 1.00 21.10 O ATOM 1129 CB TYR A 69 -1.625 -7.290 1.317 1.00 25.41 C ATOM 1130 CG TYR A 69 -2.043 -8.701 0.967 1.00 0.11 C ATOM 1131 CD1 TYR A 69 -3.164 -9.240 1.613 1.00 53.33 C ATOM 1132 CD2 TYR A 69 -1.307 -9.495 0.066 1.00 72.43 C ATOM 1133 CE1 TYR A 69 -3.576 -10.551 1.355 1.00 4.33 C ATOM 1134 CE2 TYR A 69 -1.707 -10.823 -0.193 1.00 74.23 C ATOM 1135 CZ TYR A 69 -2.854 -11.350 0.451 1.00 53.14 C ATOM 1136 OH TYR A 69 -3.263 -12.634 0.275 1.00 52.32 O ATOM 0 H TYR A 69 -1.209 -6.174 -0.881 1.00 4.11 H new ATOM 0 HA TYR A 69 -3.519 -6.598 0.598 1.00 62.21 H new ATOM 0 HB2 TYR A 69 -0.607 -7.131 0.962 1.00 25.41 H new ATOM 0 HB3 TYR A 69 -1.603 -7.193 2.402 1.00 25.41 H new ATOM 0 HD1 TYR A 69 -3.716 -8.636 2.318 1.00 53.33 H new ATOM 0 HD2 TYR A 69 -0.437 -9.087 -0.427 1.00 72.43 H new ATOM 0 HE1 TYR A 69 -4.449 -10.950 1.850 1.00 4.33 H new ATOM 0 HE2 TYR A 69 -1.141 -11.435 -0.879 1.00 74.23 H new ATOM 0 HH TYR A 69 -2.680 -13.077 -0.376 1.00 52.32 H new ATOM 1146 N TYR A 70 -1.526 -4.210 1.845 1.00 73.41 N ATOM 1147 CA TYR A 70 -1.518 -3.079 2.775 1.00 62.31 C ATOM 1148 C TYR A 70 -2.611 -2.080 2.411 1.00 43.24 C ATOM 1149 O TYR A 70 -3.413 -1.702 3.260 1.00 4.33 O ATOM 1150 CB TYR A 70 -0.121 -2.463 2.930 1.00 61.34 C ATOM 1151 CG TYR A 70 0.607 -2.981 4.164 1.00 50.21 C ATOM 1152 CD1 TYR A 70 0.512 -4.339 4.538 1.00 53.53 C ATOM 1153 CD2 TYR A 70 1.332 -2.093 4.984 1.00 34.54 C ATOM 1154 CE1 TYR A 70 1.107 -4.791 5.725 1.00 71.35 C ATOM 1155 CE2 TYR A 70 1.967 -2.554 6.150 1.00 5.40 C ATOM 1156 CZ TYR A 70 1.853 -3.908 6.531 1.00 21.52 C ATOM 1157 OH TYR A 70 2.412 -4.374 7.678 1.00 41.55 O ATOM 0 H TYR A 70 -0.666 -4.321 1.307 1.00 73.41 H new ATOM 0 HA TYR A 70 -1.761 -3.446 3.772 1.00 62.31 H new ATOM 0 HB2 TYR A 70 0.471 -2.684 2.042 1.00 61.34 H new ATOM 0 HB3 TYR A 70 -0.210 -1.378 2.992 1.00 61.34 H new ATOM 0 HD1 TYR A 70 -0.022 -5.034 3.907 1.00 53.53 H new ATOM 0 HD2 TYR A 70 1.400 -1.050 4.714 1.00 34.54 H new ATOM 0 HE1 TYR A 70 0.993 -5.823 6.023 1.00 71.35 H new ATOM 0 HE2 TYR A 70 2.543 -1.871 6.756 1.00 5.40 H new ATOM 0 HH TYR A 70 2.671 -3.619 8.246 1.00 41.55 H new ATOM 1167 N SER A 71 -2.736 -1.712 1.138 1.00 74.52 N ATOM 1168 CA SER A 71 -3.789 -0.777 0.741 1.00 14.53 C ATOM 1169 C SER A 71 -5.206 -1.375 0.807 1.00 30.20 C ATOM 1170 O SER A 71 -6.189 -0.678 0.554 1.00 70.22 O ATOM 1171 CB SER A 71 -3.477 -0.170 -0.611 1.00 21.53 C ATOM 1172 OG SER A 71 -3.220 -1.140 -1.618 1.00 43.25 O ATOM 0 H SER A 71 -2.138 -2.037 0.379 1.00 74.52 H new ATOM 0 HA SER A 71 -3.796 0.024 1.480 1.00 14.53 H new ATOM 0 HB2 SER A 71 -4.314 0.454 -0.923 1.00 21.53 H new ATOM 0 HB3 SER A 71 -2.610 0.484 -0.516 1.00 21.53 H new ATOM 0 HG SER A 71 -2.329 -1.525 -1.481 1.00 43.25 H new ATOM 1178 N ALA A 72 -5.328 -2.667 1.102 1.00 14.34 N ATOM 1179 CA ALA A 72 -6.578 -3.389 1.248 1.00 30.13 C ATOM 1180 C ALA A 72 -6.748 -3.757 2.723 1.00 13.43 C ATOM 1181 O ALA A 72 -7.656 -4.518 3.042 1.00 43.23 O ATOM 1182 CB ALA A 72 -6.573 -4.641 0.361 1.00 74.43 C ATOM 0 H ALA A 72 -4.514 -3.263 1.252 1.00 14.34 H new ATOM 0 HA ALA A 72 -7.416 -2.768 0.931 1.00 30.13 H new ATOM 0 HB1 ALA A 72 -7.516 -5.174 0.479 1.00 74.43 H new ATOM 0 HB2 ALA A 72 -6.450 -4.348 -0.682 1.00 74.43 H new ATOM 0 HB3 ALA A 72 -5.749 -5.291 0.654 1.00 74.43 H new ATOM 1188 N SER A 73 -5.868 -3.287 3.619 1.00 74.15 N ATOM 1189 CA SER A 73 -5.965 -3.614 5.042 1.00 14.43 C ATOM 1190 C SER A 73 -7.282 -3.092 5.631 1.00 14.13 C ATOM 1191 O SER A 73 -7.793 -2.070 5.161 1.00 30.45 O ATOM 1192 CB SER A 73 -4.744 -3.074 5.785 1.00 50.13 C ATOM 1193 OG SER A 73 -3.608 -3.763 5.303 1.00 30.44 O ATOM 0 H SER A 73 -5.084 -2.680 3.380 1.00 74.15 H new ATOM 0 HA SER A 73 -5.973 -4.697 5.163 1.00 14.43 H new ATOM 0 HB2 SER A 73 -4.639 -2.002 5.620 1.00 50.13 H new ATOM 0 HB3 SER A 73 -4.854 -3.222 6.859 1.00 50.13 H new ATOM 0 HG SER A 73 -3.763 -4.041 4.376 1.00 30.44 H new ATOM 1199 N PRO A 74 -7.818 -3.738 6.682 1.00 22.40 N ATOM 1200 CA PRO A 74 -9.076 -3.327 7.285 1.00 65.02 C ATOM 1201 C PRO A 74 -8.992 -1.913 7.841 1.00 10.34 C ATOM 1202 O PRO A 74 -9.845 -1.084 7.540 1.00 11.11 O ATOM 1203 CB PRO A 74 -9.382 -4.352 8.383 1.00 64.22 C ATOM 1204 CG PRO A 74 -8.035 -4.995 8.681 1.00 74.52 C ATOM 1205 CD PRO A 74 -7.307 -4.935 7.341 1.00 4.22 C ATOM 0 HA PRO A 74 -9.876 -3.303 6.545 1.00 65.02 H new ATOM 0 HB2 PRO A 74 -9.799 -3.874 9.269 1.00 64.22 H new ATOM 0 HB3 PRO A 74 -10.110 -5.090 8.047 1.00 64.22 H new ATOM 0 HG2 PRO A 74 -7.494 -4.452 9.456 1.00 74.52 H new ATOM 0 HG3 PRO A 74 -8.149 -6.021 9.030 1.00 74.52 H new ATOM 0 HD2 PRO A 74 -6.228 -4.877 7.481 1.00 4.22 H new ATOM 0 HD3 PRO A 74 -7.504 -5.827 6.746 1.00 4.22 H new ATOM 1213 N ALA A 75 -7.942 -1.618 8.609 1.00 44.02 N ATOM 1214 CA ALA A 75 -7.731 -0.325 9.234 1.00 63.44 C ATOM 1215 C ALA A 75 -7.734 0.834 8.237 1.00 4.02 C ATOM 1216 O ALA A 75 -8.270 1.897 8.544 1.00 14.43 O ATOM 1217 CB ALA A 75 -6.411 -0.396 9.995 1.00 42.30 C ATOM 0 H ALA A 75 -7.203 -2.290 8.814 1.00 44.02 H new ATOM 0 HA ALA A 75 -8.561 -0.118 9.909 1.00 63.44 H new ATOM 0 HB1 ALA A 75 -6.218 0.561 10.479 1.00 42.30 H new ATOM 0 HB2 ALA A 75 -6.468 -1.180 10.750 1.00 42.30 H new ATOM 0 HB3 ALA A 75 -5.602 -0.620 9.300 1.00 42.30 H new ATOM 1223 N TYR A 76 -7.122 0.642 7.068 1.00 1.30 N ATOM 1224 CA TYR A 76 -7.030 1.645 6.018 1.00 2.42 C ATOM 1225 C TYR A 76 -8.388 1.988 5.432 1.00 12.34 C ATOM 1226 O TYR A 76 -8.685 3.161 5.208 1.00 71.31 O ATOM 1227 CB TYR A 76 -6.132 1.095 4.900 1.00 44.41 C ATOM 1228 CG TYR A 76 -6.071 1.970 3.671 1.00 3.42 C ATOM 1229 CD1 TYR A 76 -5.216 3.084 3.654 1.00 13.22 C ATOM 1230 CD2 TYR A 76 -6.884 1.684 2.560 1.00 71.05 C ATOM 1231 CE1 TYR A 76 -5.134 3.889 2.507 1.00 60.34 C ATOM 1232 CE2 TYR A 76 -6.783 2.467 1.397 1.00 14.44 C ATOM 1233 CZ TYR A 76 -5.898 3.569 1.362 1.00 14.52 C ATOM 1234 OH TYR A 76 -5.734 4.297 0.220 1.00 61.22 O ATOM 0 H TYR A 76 -6.667 -0.238 6.824 1.00 1.30 H new ATOM 0 HA TYR A 76 -6.617 2.555 6.453 1.00 2.42 H new ATOM 0 HB2 TYR A 76 -5.123 0.965 5.290 1.00 44.41 H new ATOM 0 HB3 TYR A 76 -6.492 0.107 4.612 1.00 44.41 H new ATOM 0 HD1 TYR A 76 -4.621 3.321 4.524 1.00 13.22 H new ATOM 0 HD2 TYR A 76 -7.585 0.864 2.600 1.00 71.05 H new ATOM 0 HE1 TYR A 76 -4.487 4.753 2.500 1.00 60.34 H new ATOM 0 HE2 TYR A 76 -7.381 2.227 0.530 1.00 14.44 H new ATOM 0 HH TYR A 76 -6.330 3.952 -0.477 1.00 61.22 H new ATOM 1244 N LEU A 77 -9.192 0.968 5.152 1.00 34.31 N ATOM 1245 CA LEU A 77 -10.505 1.157 4.563 1.00 23.05 C ATOM 1246 C LEU A 77 -11.473 1.696 5.610 1.00 1.33 C ATOM 1247 O LEU A 77 -12.142 2.697 5.368 1.00 65.21 O ATOM 1248 CB LEU A 77 -10.981 -0.156 3.938 1.00 70.24 C ATOM 1249 CG LEU A 77 -10.008 -0.762 2.911 1.00 64.41 C ATOM 1250 CD1 LEU A 77 -10.351 -2.235 2.733 1.00 3.21 C ATOM 1251 CD2 LEU A 77 -10.046 0.006 1.584 1.00 75.33 C ATOM 0 H LEU A 77 -8.950 -0.007 5.327 1.00 34.31 H new ATOM 0 HA LEU A 77 -10.457 1.898 3.765 1.00 23.05 H new ATOM 0 HB2 LEU A 77 -11.149 -0.882 4.733 1.00 70.24 H new ATOM 0 HB3 LEU A 77 -11.942 0.014 3.453 1.00 70.24 H new ATOM 0 HG LEU A 77 -8.984 -0.678 3.276 1.00 64.41 H new ATOM 0 HD11 LEU A 77 -9.671 -2.682 2.008 1.00 3.21 H new ATOM 0 HD12 LEU A 77 -10.252 -2.750 3.689 1.00 3.21 H new ATOM 0 HD13 LEU A 77 -11.376 -2.329 2.375 1.00 3.21 H new ATOM 0 HD21 LEU A 77 -9.347 -0.448 0.881 1.00 75.33 H new ATOM 0 HD22 LEU A 77 -11.054 -0.032 1.170 1.00 75.33 H new ATOM 0 HD23 LEU A 77 -9.764 1.045 1.757 1.00 75.33 H new ATOM 1263 N SER A 78 -11.473 1.093 6.798 1.00 35.43 N ATOM 1264 CA SER A 78 -12.320 1.466 7.926 1.00 13.00 C ATOM 1265 C SER A 78 -12.112 2.927 8.350 1.00 70.24 C ATOM 1266 O SER A 78 -13.055 3.538 8.855 1.00 31.44 O ATOM 1267 CB SER A 78 -12.000 0.526 9.103 1.00 1.33 C ATOM 1268 OG SER A 78 -12.929 0.629 10.172 1.00 0.21 O ATOM 0 H SER A 78 -10.861 0.304 7.007 1.00 35.43 H new ATOM 0 HA SER A 78 -13.363 1.370 7.624 1.00 13.00 H new ATOM 0 HB2 SER A 78 -11.983 -0.503 8.743 1.00 1.33 H new ATOM 0 HB3 SER A 78 -11.001 0.750 9.476 1.00 1.33 H new ATOM 0 HG SER A 78 -12.675 0.009 10.887 1.00 0.21 H new ATOM 1274 N CYS A 79 -10.920 3.505 8.151 1.00 63.30 N ATOM 1275 CA CYS A 79 -10.640 4.883 8.541 1.00 12.31 C ATOM 1276 C CYS A 79 -11.040 5.931 7.493 1.00 75.31 C ATOM 1277 O CYS A 79 -10.753 7.110 7.703 1.00 35.31 O ATOM 1278 CB CYS A 79 -9.191 4.992 9.013 1.00 12.41 C ATOM 1279 SG CYS A 79 -8.017 5.051 7.637 1.00 64.43 S ATOM 0 H CYS A 79 -10.129 3.029 7.717 1.00 63.30 H new ATOM 0 HA CYS A 79 -11.289 5.132 9.380 1.00 12.31 H new ATOM 0 HB2 CYS A 79 -9.077 5.889 9.622 1.00 12.41 H new ATOM 0 HB3 CYS A 79 -8.955 4.141 9.651 1.00 12.41 H new ATOM 0 HG CYS A 79 -8.400 4.231 6.704 1.00 64.43 H new ATOM 1285 N GLN A 80 -11.683 5.510 6.395 1.00 51.33 N ATOM 1286 CA GLN A 80 -12.197 6.306 5.273 1.00 21.04 C ATOM 1287 C GLN A 80 -12.522 7.778 5.602 1.00 63.04 C ATOM 1288 O GLN A 80 -13.597 8.084 6.121 1.00 32.13 O ATOM 1289 CB GLN A 80 -13.466 5.626 4.709 1.00 21.12 C ATOM 1290 CG GLN A 80 -14.492 5.178 5.777 1.00 5.54 C ATOM 1291 CD GLN A 80 -15.939 5.392 5.337 1.00 33.22 C ATOM 1292 OE1 GLN A 80 -16.602 4.481 4.845 1.00 61.13 O ATOM 1293 NE2 GLN A 80 -16.480 6.586 5.518 1.00 53.22 N ATOM 0 H GLN A 80 -11.873 4.517 6.258 1.00 51.33 H new ATOM 0 HA GLN A 80 -11.387 6.339 4.545 1.00 21.04 H new ATOM 0 HB2 GLN A 80 -13.956 6.316 4.022 1.00 21.12 H new ATOM 0 HB3 GLN A 80 -13.166 4.755 4.126 1.00 21.12 H new ATOM 0 HG2 GLN A 80 -14.338 4.123 6.001 1.00 5.54 H new ATOM 0 HG3 GLN A 80 -14.313 5.730 6.700 1.00 5.54 H new ATOM 0 HE21 GLN A 80 -15.927 7.340 5.926 1.00 53.22 H new ATOM 0 HE22 GLN A 80 -17.450 6.753 5.249 1.00 53.22 H new ATOM 1302 N LYS A 81 -11.611 8.709 5.303 1.00 43.12 N ATOM 1303 CA LYS A 81 -11.800 10.141 5.535 1.00 2.22 C ATOM 1304 C LYS A 81 -11.377 10.914 4.289 1.00 71.22 C ATOM 1305 O LYS A 81 -10.191 10.875 3.955 1.00 73.23 O ATOM 1306 CB LYS A 81 -11.051 10.639 6.783 1.00 62.14 C ATOM 1307 CG LYS A 81 -11.850 10.325 8.056 1.00 42.45 C ATOM 1308 CD LYS A 81 -11.145 10.817 9.324 1.00 54.15 C ATOM 1309 CE LYS A 81 -11.863 10.253 10.556 1.00 73.32 C ATOM 1310 NZ LYS A 81 -11.217 10.663 11.817 1.00 42.40 N ATOM 0 H LYS A 81 -10.708 8.483 4.886 1.00 43.12 H new ATOM 0 HA LYS A 81 -12.858 10.317 5.729 1.00 2.22 H new ATOM 0 HB2 LYS A 81 -10.070 10.167 6.837 1.00 62.14 H new ATOM 0 HB3 LYS A 81 -10.884 11.713 6.708 1.00 62.14 H new ATOM 0 HG2 LYS A 81 -12.834 10.789 7.988 1.00 42.45 H new ATOM 0 HG3 LYS A 81 -12.009 9.249 8.126 1.00 42.45 H new ATOM 0 HD2 LYS A 81 -10.102 10.500 9.320 1.00 54.15 H new ATOM 0 HD3 LYS A 81 -11.147 11.907 9.355 1.00 54.15 H new ATOM 0 HE2 LYS A 81 -12.900 10.590 10.555 1.00 73.32 H new ATOM 0 HE3 LYS A 81 -11.881 9.165 10.497 1.00 73.32 H new ATOM 0 HZ1 LYS A 81 -11.737 10.258 12.621 1.00 42.40 H new ATOM 0 HZ2 LYS A 81 -10.235 10.320 11.832 1.00 42.40 H new ATOM 0 HZ3 LYS A 81 -11.222 11.701 11.888 1.00 42.40 H new ATOM 1324 N PRO A 82 -12.303 11.516 3.531 1.00 74.54 N ATOM 1325 CA PRO A 82 -11.960 12.302 2.358 1.00 3.11 C ATOM 1326 C PRO A 82 -11.349 13.626 2.839 1.00 10.04 C ATOM 1327 O PRO A 82 -11.171 13.840 4.041 1.00 52.20 O ATOM 1328 CB PRO A 82 -13.292 12.526 1.638 1.00 5.34 C ATOM 1329 CG PRO A 82 -14.301 12.582 2.784 1.00 3.23 C ATOM 1330 CD PRO A 82 -13.722 11.615 3.811 1.00 74.53 C ATOM 0 HA PRO A 82 -11.238 11.825 1.695 1.00 3.11 H new ATOM 0 HB2 PRO A 82 -13.287 13.450 1.060 1.00 5.34 H new ATOM 0 HB3 PRO A 82 -13.516 11.716 0.943 1.00 5.34 H new ATOM 0 HG2 PRO A 82 -14.394 13.590 3.189 1.00 3.23 H new ATOM 0 HG3 PRO A 82 -15.295 12.276 2.459 1.00 3.23 H new ATOM 0 HD2 PRO A 82 -13.893 11.978 4.825 1.00 74.53 H new ATOM 0 HD3 PRO A 82 -14.201 10.639 3.737 1.00 74.53 H new ATOM 1338 N ASP A 83 -11.012 14.507 1.898 1.00 52.31 N ATOM 1339 CA ASP A 83 -10.445 15.835 2.153 1.00 14.24 C ATOM 1340 C ASP A 83 -9.325 15.813 3.201 1.00 4.10 C ATOM 1341 O ASP A 83 -9.295 16.636 4.115 1.00 44.32 O ATOM 1342 CB ASP A 83 -11.553 16.843 2.512 1.00 25.44 C ATOM 1343 CG ASP A 83 -12.651 17.026 1.465 1.00 21.43 C ATOM 1344 OD1 ASP A 83 -12.511 16.628 0.286 1.00 41.01 O ATOM 1345 OD2 ASP A 83 -13.719 17.545 1.859 1.00 72.44 O ATOM 0 H ASP A 83 -11.129 14.312 0.904 1.00 52.31 H new ATOM 0 HA ASP A 83 -9.976 16.166 1.227 1.00 14.24 H new ATOM 0 HB2 ASP A 83 -12.017 16.526 3.446 1.00 25.44 H new ATOM 0 HB3 ASP A 83 -11.090 17.812 2.698 1.00 25.44 H new ATOM 1350 N THR A 84 -8.382 14.872 3.080 1.00 15.25 N ATOM 1351 CA THR A 84 -7.269 14.718 4.019 1.00 53.34 C ATOM 1352 C THR A 84 -5.888 14.818 3.366 1.00 64.42 C ATOM 1353 O THR A 84 -4.918 14.839 4.117 1.00 70.05 O ATOM 1354 CB THR A 84 -7.465 13.404 4.800 1.00 65.21 C ATOM 1355 OG1 THR A 84 -6.495 13.242 5.823 1.00 3.11 O ATOM 1356 CG2 THR A 84 -7.367 12.178 3.894 1.00 40.44 C ATOM 0 H THR A 84 -8.371 14.191 2.321 1.00 15.25 H new ATOM 0 HA THR A 84 -7.287 15.560 4.711 1.00 53.34 H new ATOM 0 HB THR A 84 -8.463 13.477 5.232 1.00 65.21 H new ATOM 0 HG1 THR A 84 -5.718 13.807 5.629 1.00 3.11 H new ATOM 0 HG21 THR A 84 -7.511 11.275 4.487 1.00 40.44 H new ATOM 0 HG22 THR A 84 -8.136 12.233 3.123 1.00 40.44 H new ATOM 0 HG23 THR A 84 -6.384 12.150 3.424 1.00 40.44 H new ATOM 1364 N ALA A 85 -5.802 14.894 2.035 1.00 43.15 N ATOM 1365 CA ALA A 85 -4.599 14.997 1.203 1.00 23.54 C ATOM 1366 C ALA A 85 -3.632 13.815 1.290 1.00 72.21 C ATOM 1367 O ALA A 85 -3.223 13.377 2.363 1.00 24.22 O ATOM 1368 CB ALA A 85 -3.873 16.324 1.444 1.00 52.35 C ATOM 0 H ALA A 85 -6.646 14.884 1.462 1.00 43.15 H new ATOM 0 HA ALA A 85 -4.973 14.966 0.180 1.00 23.54 H new ATOM 0 HB1 ALA A 85 -2.985 16.373 0.814 1.00 52.35 H new ATOM 0 HB2 ALA A 85 -4.538 17.152 1.199 1.00 52.35 H new ATOM 0 HB3 ALA A 85 -3.579 16.393 2.491 1.00 52.35 H new ATOM 1374 N ARG A 86 -3.343 13.224 0.130 1.00 52.22 N ATOM 1375 CA ARG A 86 -2.384 12.113 0.040 1.00 11.14 C ATOM 1376 C ARG A 86 -0.957 12.717 -0.080 1.00 31.25 C ATOM 1377 O ARG A 86 -0.788 13.942 -0.063 1.00 34.22 O ATOM 1378 CB ARG A 86 -2.740 11.178 -1.137 1.00 5.12 C ATOM 1379 CG ARG A 86 -4.015 10.348 -0.987 1.00 45.21 C ATOM 1380 CD ARG A 86 -4.332 9.649 -2.318 1.00 75.03 C ATOM 1381 NE ARG A 86 -5.533 8.811 -2.273 1.00 73.15 N ATOM 1382 CZ ARG A 86 -5.794 7.691 -1.597 1.00 13.40 C ATOM 1383 NH1 ARG A 86 -4.868 7.080 -0.864 1.00 71.34 N ATOM 1384 NH2 ARG A 86 -7.025 7.204 -1.689 1.00 60.34 N ATOM 0 H ARG A 86 -3.757 13.493 -0.762 1.00 52.22 H new ATOM 0 HA ARG A 86 -2.425 11.493 0.935 1.00 11.14 H new ATOM 0 HB2 ARG A 86 -2.831 11.784 -2.038 1.00 5.12 H new ATOM 0 HB3 ARG A 86 -1.905 10.495 -1.295 1.00 5.12 H new ATOM 0 HG2 ARG A 86 -3.889 9.608 -0.197 1.00 45.21 H new ATOM 0 HG3 ARG A 86 -4.846 10.989 -0.694 1.00 45.21 H new ATOM 0 HD2 ARG A 86 -4.456 10.404 -3.094 1.00 75.03 H new ATOM 0 HD3 ARG A 86 -3.480 9.033 -2.606 1.00 75.03 H new ATOM 0 HE ARG A 86 -6.301 9.140 -2.859 1.00 73.15 H new ATOM 0 HH11 ARG A 86 -3.926 7.467 -0.807 1.00 71.34 H new ATOM 0 HH12 ARG A 86 -5.100 6.225 -0.359 1.00 71.34 H new ATOM 0 HH21 ARG A 86 -7.722 7.684 -2.258 1.00 60.34 H new ATOM 0 HH22 ARG A 86 -7.274 6.350 -1.191 1.00 60.34 H new ATOM 1398 N VAL A 87 0.071 11.867 -0.134 1.00 2.31 N ATOM 1399 CA VAL A 87 1.505 12.163 -0.277 1.00 2.04 C ATOM 1400 C VAL A 87 2.191 11.070 -1.119 1.00 1.40 C ATOM 1401 O VAL A 87 1.760 9.909 -1.106 1.00 62.52 O ATOM 1402 CB VAL A 87 2.212 12.342 1.079 1.00 1.53 C ATOM 1403 CG1 VAL A 87 1.788 13.657 1.736 1.00 2.25 C ATOM 1404 CG2 VAL A 87 1.954 11.179 2.050 1.00 23.15 C ATOM 0 H VAL A 87 -0.090 10.862 -0.074 1.00 2.31 H new ATOM 0 HA VAL A 87 1.590 13.118 -0.796 1.00 2.04 H new ATOM 0 HB VAL A 87 3.281 12.358 0.866 1.00 1.53 H new ATOM 0 HG11 VAL A 87 2.298 13.766 2.693 1.00 2.25 H new ATOM 0 HG12 VAL A 87 2.054 14.491 1.086 1.00 2.25 H new ATOM 0 HG13 VAL A 87 0.710 13.652 1.897 1.00 2.25 H new ATOM 0 HG21 VAL A 87 2.479 11.364 2.987 1.00 23.15 H new ATOM 0 HG22 VAL A 87 0.884 11.097 2.243 1.00 23.15 H new ATOM 0 HG23 VAL A 87 2.315 10.250 1.609 1.00 23.15 H new ATOM 1414 N ASP A 88 3.215 11.439 -1.890 1.00 54.35 N ATOM 1415 CA ASP A 88 4.011 10.596 -2.787 1.00 73.42 C ATOM 1416 C ASP A 88 5.285 10.099 -2.084 1.00 24.20 C ATOM 1417 O ASP A 88 5.541 10.460 -0.934 1.00 64.30 O ATOM 1418 CB ASP A 88 4.410 11.378 -4.058 1.00 41.15 C ATOM 1419 CG ASP A 88 3.280 12.174 -4.708 1.00 32.24 C ATOM 1420 OD1 ASP A 88 3.519 13.275 -5.263 1.00 15.42 O ATOM 1421 OD2 ASP A 88 2.137 11.685 -4.631 1.00 64.32 O ATOM 0 H ASP A 88 3.534 12.408 -1.906 1.00 54.35 H new ATOM 0 HA ASP A 88 3.397 9.740 -3.065 1.00 73.42 H new ATOM 0 HB2 ASP A 88 5.219 12.064 -3.805 1.00 41.15 H new ATOM 0 HB3 ASP A 88 4.806 10.674 -4.790 1.00 41.15 H new ATOM 1426 N ILE A 89 6.116 9.296 -2.766 1.00 34.41 N ATOM 1427 CA ILE A 89 7.378 8.747 -2.234 1.00 64.12 C ATOM 1428 C ILE A 89 8.394 9.843 -1.894 1.00 43.24 C ATOM 1429 O ILE A 89 9.264 9.635 -1.051 1.00 42.44 O ATOM 1430 CB ILE A 89 8.026 7.749 -3.237 1.00 53.43 C ATOM 1431 CG1 ILE A 89 7.968 8.266 -4.691 1.00 14.03 C ATOM 1432 CG2 ILE A 89 7.325 6.388 -3.164 1.00 1.20 C ATOM 1433 CD1 ILE A 89 8.932 7.560 -5.644 1.00 50.32 C ATOM 0 H ILE A 89 5.927 9.002 -3.724 1.00 34.41 H new ATOM 0 HA ILE A 89 7.115 8.224 -1.315 1.00 64.12 H new ATOM 0 HB ILE A 89 9.073 7.648 -2.951 1.00 53.43 H new ATOM 0 HG12 ILE A 89 6.952 8.148 -5.067 1.00 14.03 H new ATOM 0 HG13 ILE A 89 8.188 9.334 -4.695 1.00 14.03 H new ATOM 0 HG21 ILE A 89 7.790 5.701 -3.871 1.00 1.20 H new ATOM 0 HG22 ILE A 89 7.415 5.986 -2.155 1.00 1.20 H new ATOM 0 HG23 ILE A 89 6.271 6.508 -3.414 1.00 1.20 H new ATOM 0 HD11 ILE A 89 8.829 7.981 -6.644 1.00 50.32 H new ATOM 0 HD12 ILE A 89 9.955 7.699 -5.295 1.00 50.32 H new ATOM 0 HD13 ILE A 89 8.700 6.495 -5.673 1.00 50.32 H new ATOM 1445 N TYR A 90 8.320 11.003 -2.550 1.00 43.23 N ATOM 1446 CA TYR A 90 9.225 12.116 -2.268 1.00 35.50 C ATOM 1447 C TYR A 90 8.639 12.942 -1.107 1.00 54.20 C ATOM 1448 O TYR A 90 9.235 13.936 -0.698 1.00 12.51 O ATOM 1449 CB TYR A 90 9.400 12.987 -3.526 1.00 35.21 C ATOM 1450 CG TYR A 90 10.449 12.573 -4.550 1.00 41.52 C ATOM 1451 CD1 TYR A 90 10.616 11.231 -4.945 1.00 4.44 C ATOM 1452 CD2 TYR A 90 11.241 13.568 -5.159 1.00 21.03 C ATOM 1453 CE1 TYR A 90 11.524 10.890 -5.963 1.00 44.13 C ATOM 1454 CE2 TYR A 90 12.157 13.233 -6.173 1.00 44.02 C ATOM 1455 CZ TYR A 90 12.283 11.894 -6.603 1.00 52.24 C ATOM 1456 OH TYR A 90 13.149 11.572 -7.603 1.00 22.52 O ATOM 0 H TYR A 90 7.638 11.195 -3.284 1.00 43.23 H new ATOM 0 HA TYR A 90 10.207 11.739 -1.984 1.00 35.50 H new ATOM 0 HB2 TYR A 90 8.438 13.032 -4.036 1.00 35.21 H new ATOM 0 HB3 TYR A 90 9.636 14.000 -3.199 1.00 35.21 H new ATOM 0 HD1 TYR A 90 10.040 10.456 -4.461 1.00 4.44 H new ATOM 0 HD2 TYR A 90 11.144 14.597 -4.844 1.00 21.03 H new ATOM 0 HE1 TYR A 90 11.641 9.857 -6.256 1.00 44.13 H new ATOM 0 HE2 TYR A 90 12.766 14.003 -6.624 1.00 44.02 H new ATOM 0 HH TYR A 90 13.587 12.385 -7.931 1.00 22.52 H new ATOM 1466 N GLY A 91 7.479 12.558 -0.550 1.00 1.43 N ATOM 1467 CA GLY A 91 6.818 13.277 0.528 1.00 2.53 C ATOM 1468 C GLY A 91 6.045 14.475 -0.023 1.00 25.55 C ATOM 1469 O GLY A 91 5.525 15.270 0.766 1.00 64.52 O ATOM 0 H GLY A 91 6.973 11.724 -0.848 1.00 1.43 H new ATOM 0 HA2 GLY A 91 6.137 12.609 1.055 1.00 2.53 H new ATOM 0 HA3 GLY A 91 7.557 13.616 1.254 1.00 2.53 H new ATOM 1473 N ASN A 92 5.986 14.619 -1.353 1.00 21.02 N ATOM 1474 CA ASN A 92 5.291 15.712 -2.007 1.00 2.41 C ATOM 1475 C ASN A 92 3.823 15.640 -1.644 1.00 32.24 C ATOM 1476 O ASN A 92 3.287 14.539 -1.489 1.00 54.02 O ATOM 1477 CB ASN A 92 5.310 15.620 -3.540 1.00 33.43 C ATOM 1478 CG ASN A 92 6.630 15.284 -4.198 1.00 11.32 C ATOM 1479 OD1 ASN A 92 7.687 15.759 -3.795 1.00 61.41 O ATOM 1480 ND2 ASN A 92 6.591 14.431 -5.206 1.00 14.42 N ATOM 0 H ASN A 92 6.427 13.968 -2.003 1.00 21.02 H new ATOM 0 HA ASN A 92 5.796 16.621 -1.682 1.00 2.41 H new ATOM 0 HB2 ASN A 92 4.581 14.868 -3.842 1.00 33.43 H new ATOM 0 HB3 ASN A 92 4.967 16.574 -3.940 1.00 33.43 H new ATOM 0 HD21 ASN A 92 7.455 14.151 -5.671 1.00 14.42 H new ATOM 0 HD22 ASN A 92 5.697 14.052 -5.519 1.00 14.42 H new ATOM 1487 N GLU A 93 3.170 16.789 -1.550 1.00 44.44 N ATOM 1488 CA GLU A 93 1.755 16.835 -1.243 1.00 12.43 C ATOM 1489 C GLU A 93 0.984 16.688 -2.552 1.00 11.51 C ATOM 1490 O GLU A 93 1.409 17.214 -3.586 1.00 65.23 O ATOM 1491 CB GLU A 93 1.395 18.171 -0.558 1.00 21.34 C ATOM 1492 CG GLU A 93 0.803 17.891 0.823 1.00 62.23 C ATOM 1493 CD GLU A 93 0.517 19.138 1.659 1.00 2.30 C ATOM 1494 OE1 GLU A 93 0.309 20.251 1.119 1.00 52.22 O ATOM 1495 OE2 GLU A 93 0.420 18.994 2.894 1.00 73.54 O ATOM 0 H GLU A 93 3.603 17.703 -1.683 1.00 44.44 H new ATOM 0 HA GLU A 93 1.494 16.028 -0.558 1.00 12.43 H new ATOM 0 HB2 GLU A 93 2.284 18.795 -0.465 1.00 21.34 H new ATOM 0 HB3 GLU A 93 0.680 18.723 -1.167 1.00 21.34 H new ATOM 0 HG2 GLU A 93 -0.125 17.332 0.699 1.00 62.23 H new ATOM 0 HG3 GLU A 93 1.490 17.250 1.375 1.00 62.23 H new ATOM 1502 N VAL A 94 -0.153 16.001 -2.489 1.00 3.00 N ATOM 1503 CA VAL A 94 -1.086 15.767 -3.594 1.00 24.40 C ATOM 1504 C VAL A 94 -2.481 16.211 -3.156 1.00 73.03 C ATOM 1505 O VAL A 94 -2.670 16.716 -2.047 1.00 23.52 O ATOM 1506 CB VAL A 94 -1.009 14.393 -4.263 1.00 33.23 C ATOM 1507 CG1 VAL A 94 0.407 14.006 -4.623 1.00 72.51 C ATOM 1508 CG2 VAL A 94 -1.680 13.345 -3.434 1.00 3.41 C ATOM 0 H VAL A 94 -0.468 15.568 -1.621 1.00 3.00 H new ATOM 0 HA VAL A 94 -0.772 16.389 -4.433 1.00 24.40 H new ATOM 0 HB VAL A 94 -1.555 14.467 -5.203 1.00 33.23 H new ATOM 0 HG11 VAL A 94 0.407 13.023 -5.095 1.00 72.51 H new ATOM 0 HG12 VAL A 94 0.820 14.740 -5.314 1.00 72.51 H new ATOM 0 HG13 VAL A 94 1.016 13.975 -3.720 1.00 72.51 H new ATOM 0 HG21 VAL A 94 -1.607 12.381 -3.938 1.00 3.41 H new ATOM 0 HG22 VAL A 94 -1.193 13.284 -2.461 1.00 3.41 H new ATOM 0 HG23 VAL A 94 -2.730 13.605 -3.298 1.00 3.41 H new ATOM 1518 N ASP A 95 -3.470 16.028 -4.027 1.00 62.42 N ATOM 1519 CA ASP A 95 -4.841 16.438 -3.780 1.00 75.50 C ATOM 1520 C ASP A 95 -5.481 15.421 -2.820 1.00 22.14 C ATOM 1521 O ASP A 95 -4.840 14.462 -2.369 1.00 34.55 O ATOM 1522 CB ASP A 95 -5.601 16.371 -5.117 1.00 51.24 C ATOM 1523 CG ASP A 95 -5.131 17.357 -6.181 1.00 72.14 C ATOM 1524 OD1 ASP A 95 -5.865 18.339 -6.427 1.00 14.34 O ATOM 1525 OD2 ASP A 95 -4.067 17.100 -6.803 1.00 13.43 O ATOM 0 H ASP A 95 -3.335 15.584 -4.935 1.00 62.42 H new ATOM 0 HA ASP A 95 -4.876 17.442 -3.358 1.00 75.50 H new ATOM 0 HB2 ASP A 95 -5.513 15.361 -5.516 1.00 51.24 H new ATOM 0 HB3 ASP A 95 -6.659 16.546 -4.924 1.00 51.24 H new ATOM 1530 N VAL A 96 -6.776 15.546 -2.549 1.00 12.04 N ATOM 1531 CA VAL A 96 -7.452 14.690 -1.583 1.00 51.22 C ATOM 1532 C VAL A 96 -8.451 13.734 -2.221 1.00 63.00 C ATOM 1533 O VAL A 96 -8.901 13.954 -3.349 1.00 1.11 O ATOM 1534 CB VAL A 96 -8.187 15.635 -0.600 1.00 15.21 C ATOM 1535 CG1 VAL A 96 -7.370 16.861 -0.147 1.00 53.12 C ATOM 1536 CG2 VAL A 96 -9.459 16.226 -1.234 1.00 22.00 C ATOM 0 H VAL A 96 -7.382 16.238 -2.989 1.00 12.04 H new ATOM 0 HA VAL A 96 -6.714 14.059 -1.088 1.00 51.22 H new ATOM 0 HB VAL A 96 -8.389 14.989 0.254 1.00 15.21 H new ATOM 0 HG11 VAL A 96 -7.967 17.463 0.539 1.00 53.12 H new ATOM 0 HG12 VAL A 96 -6.463 16.528 0.358 1.00 53.12 H new ATOM 0 HG13 VAL A 96 -7.102 17.461 -1.017 1.00 53.12 H new ATOM 0 HG21 VAL A 96 -9.950 16.884 -0.518 1.00 22.00 H new ATOM 0 HG22 VAL A 96 -9.191 16.794 -2.125 1.00 22.00 H new ATOM 0 HG23 VAL A 96 -10.137 15.418 -1.509 1.00 22.00 H new ATOM 1546 N VAL A 97 -8.786 12.668 -1.496 1.00 21.41 N ATOM 1547 CA VAL A 97 -9.765 11.685 -1.976 1.00 12.11 C ATOM 1548 C VAL A 97 -11.139 12.370 -1.973 1.00 33.23 C ATOM 1549 O VAL A 97 -11.442 13.097 -1.020 1.00 54.23 O ATOM 1550 CB VAL A 97 -9.864 10.439 -1.066 1.00 24.22 C ATOM 1551 CG1 VAL A 97 -10.586 9.276 -1.762 1.00 42.12 C ATOM 1552 CG2 VAL A 97 -8.493 9.963 -0.610 1.00 30.54 C ATOM 0 H VAL A 97 -8.397 12.460 -0.576 1.00 21.41 H new ATOM 0 HA VAL A 97 -9.450 11.351 -2.965 1.00 12.11 H new ATOM 0 HB VAL A 97 -10.444 10.749 -0.197 1.00 24.22 H new ATOM 0 HG11 VAL A 97 -10.633 8.421 -1.087 1.00 42.12 H new ATOM 0 HG12 VAL A 97 -11.597 9.583 -2.030 1.00 42.12 H new ATOM 0 HG13 VAL A 97 -10.041 8.997 -2.664 1.00 42.12 H new ATOM 0 HG21 VAL A 97 -8.606 9.086 0.027 1.00 30.54 H new ATOM 0 HG22 VAL A 97 -7.890 9.704 -1.480 1.00 30.54 H new ATOM 0 HG23 VAL A 97 -8.000 10.757 -0.050 1.00 30.54 H new ATOM 1562 N THR A 98 -11.964 12.146 -2.997 1.00 43.31 N ATOM 1563 CA THR A 98 -13.299 12.729 -3.057 1.00 14.24 C ATOM 1564 C THR A 98 -14.172 12.093 -1.960 1.00 54.52 C ATOM 1565 O THR A 98 -13.877 10.987 -1.483 1.00 44.51 O ATOM 1566 CB THR A 98 -13.910 12.494 -4.448 1.00 31.12 C ATOM 1567 OG1 THR A 98 -13.776 11.139 -4.804 1.00 34.40 O ATOM 1568 CG2 THR A 98 -13.232 13.354 -5.510 1.00 2.34 C ATOM 0 H THR A 98 -11.726 11.561 -3.798 1.00 43.31 H new ATOM 0 HA THR A 98 -13.245 13.805 -2.889 1.00 14.24 H new ATOM 0 HB THR A 98 -14.963 12.771 -4.398 1.00 31.12 H new ATOM 0 HG1 THR A 98 -13.125 11.055 -5.532 1.00 34.40 H new ATOM 0 HG21 THR A 98 -13.689 13.162 -6.480 1.00 2.34 H new ATOM 0 HG22 THR A 98 -13.350 14.407 -5.255 1.00 2.34 H new ATOM 0 HG23 THR A 98 -12.171 13.108 -5.554 1.00 2.34 H new ATOM 1576 N PRO A 99 -15.302 12.721 -1.587 1.00 52.24 N ATOM 1577 CA PRO A 99 -16.167 12.185 -0.549 1.00 41.02 C ATOM 1578 C PRO A 99 -16.742 10.810 -0.867 1.00 21.22 C ATOM 1579 O PRO A 99 -16.966 10.034 0.066 1.00 2.52 O ATOM 1580 CB PRO A 99 -17.248 13.237 -0.311 1.00 43.21 C ATOM 1581 CG PRO A 99 -17.251 14.073 -1.588 1.00 13.34 C ATOM 1582 CD PRO A 99 -15.796 14.013 -2.043 1.00 44.30 C ATOM 0 HA PRO A 99 -15.588 12.002 0.356 1.00 41.02 H new ATOM 0 HB2 PRO A 99 -18.220 12.776 -0.136 1.00 43.21 H new ATOM 0 HB3 PRO A 99 -17.023 13.848 0.563 1.00 43.21 H new ATOM 0 HG2 PRO A 99 -17.926 13.661 -2.338 1.00 13.34 H new ATOM 0 HG3 PRO A 99 -17.572 15.097 -1.399 1.00 13.34 H new ATOM 0 HD2 PRO A 99 -15.719 14.103 -3.127 1.00 44.30 H new ATOM 0 HD3 PRO A 99 -15.216 14.830 -1.613 1.00 44.30 H new ATOM 1590 N GLU A 100 -17.002 10.518 -2.143 1.00 4.04 N ATOM 1591 CA GLU A 100 -17.539 9.240 -2.583 1.00 44.24 C ATOM 1592 C GLU A 100 -16.457 8.166 -2.614 1.00 71.31 C ATOM 1593 O GLU A 100 -16.658 7.076 -2.077 1.00 52.14 O ATOM 1594 CB GLU A 100 -18.207 9.377 -3.948 1.00 33.33 C ATOM 1595 CG GLU A 100 -19.491 10.208 -3.810 1.00 13.42 C ATOM 1596 CD GLU A 100 -20.393 10.101 -5.036 1.00 32.54 C ATOM 1597 OE1 GLU A 100 -19.908 9.829 -6.155 1.00 14.42 O ATOM 1598 OE2 GLU A 100 -21.628 10.252 -4.887 1.00 15.12 O ATOM 0 H GLU A 100 -16.841 11.175 -2.906 1.00 4.04 H new ATOM 0 HA GLU A 100 -18.294 8.929 -1.861 1.00 44.24 H new ATOM 0 HB2 GLU A 100 -17.526 9.855 -4.652 1.00 33.33 H new ATOM 0 HB3 GLU A 100 -18.441 8.391 -4.351 1.00 33.33 H new ATOM 0 HG2 GLU A 100 -20.041 9.877 -2.929 1.00 13.42 H new ATOM 0 HG3 GLU A 100 -19.227 11.253 -3.647 1.00 13.42 H new ATOM 1605 N GLN A 101 -15.293 8.461 -3.204 1.00 52.35 N ATOM 1606 CA GLN A 101 -14.225 7.470 -3.281 1.00 34.41 C ATOM 1607 C GLN A 101 -13.766 7.058 -1.881 1.00 54.13 C ATOM 1608 O GLN A 101 -13.371 5.904 -1.698 1.00 24.43 O ATOM 1609 CB GLN A 101 -13.075 7.942 -4.183 1.00 21.24 C ATOM 1610 CG GLN A 101 -13.524 8.008 -5.652 1.00 71.02 C ATOM 1611 CD GLN A 101 -12.385 8.387 -6.597 1.00 53.34 C ATOM 1612 OE1 GLN A 101 -12.166 9.551 -6.924 1.00 0.22 O ATOM 1613 NE2 GLN A 101 -11.614 7.419 -7.066 1.00 21.43 N ATOM 0 H GLN A 101 -15.073 9.363 -3.627 1.00 52.35 H new ATOM 0 HA GLN A 101 -14.621 6.573 -3.757 1.00 34.41 H new ATOM 0 HB2 GLN A 101 -12.732 8.925 -3.858 1.00 21.24 H new ATOM 0 HB3 GLN A 101 -12.229 7.262 -4.087 1.00 21.24 H new ATOM 0 HG2 GLN A 101 -13.930 7.041 -5.948 1.00 71.02 H new ATOM 0 HG3 GLN A 101 -14.330 8.736 -5.750 1.00 71.02 H new ATOM 0 HE21 GLN A 101 -11.791 6.451 -6.798 1.00 21.43 H new ATOM 0 HE22 GLN A 101 -10.843 7.641 -7.695 1.00 21.43 H new ATOM 1622 N ALA A 102 -13.848 7.952 -0.887 1.00 70.30 N ATOM 1623 CA ALA A 102 -13.454 7.609 0.470 1.00 42.24 C ATOM 1624 C ALA A 102 -14.457 6.607 1.062 1.00 3.35 C ATOM 1625 O ALA A 102 -14.038 5.545 1.521 1.00 42.53 O ATOM 1626 CB ALA A 102 -13.364 8.878 1.325 1.00 74.11 C ATOM 0 H ALA A 102 -14.182 8.909 -1.003 1.00 70.30 H new ATOM 0 HA ALA A 102 -12.470 7.141 0.459 1.00 42.24 H new ATOM 0 HB1 ALA A 102 -13.068 8.613 2.340 1.00 74.11 H new ATOM 0 HB2 ALA A 102 -12.624 9.554 0.896 1.00 74.11 H new ATOM 0 HB3 ALA A 102 -14.336 9.371 1.347 1.00 74.11 H new ATOM 1632 N LYS A 103 -15.772 6.875 0.994 1.00 62.23 N ATOM 1633 CA LYS A 103 -16.789 5.965 1.548 1.00 23.44 C ATOM 1634 C LYS A 103 -16.806 4.611 0.837 1.00 23.13 C ATOM 1635 O LYS A 103 -17.028 3.599 1.496 1.00 21.21 O ATOM 1636 CB LYS A 103 -18.187 6.617 1.609 1.00 51.23 C ATOM 1637 CG LYS A 103 -18.728 7.065 0.246 1.00 3.20 C ATOM 1638 CD LYS A 103 -20.150 7.642 0.261 1.00 5.03 C ATOM 1639 CE LYS A 103 -20.159 9.114 0.696 1.00 13.04 C ATOM 1640 NZ LYS A 103 -21.510 9.710 0.620 1.00 73.50 N ATOM 0 H LYS A 103 -16.156 7.715 0.561 1.00 62.23 H new ATOM 0 HA LYS A 103 -16.498 5.766 2.579 1.00 23.44 H new ATOM 0 HB2 LYS A 103 -18.888 5.909 2.051 1.00 51.23 H new ATOM 0 HB3 LYS A 103 -18.145 7.480 2.273 1.00 51.23 H new ATOM 0 HG2 LYS A 103 -18.053 7.816 -0.165 1.00 3.20 H new ATOM 0 HG3 LYS A 103 -18.707 6.212 -0.433 1.00 3.20 H new ATOM 0 HD2 LYS A 103 -20.590 7.553 -0.732 1.00 5.03 H new ATOM 0 HD3 LYS A 103 -20.773 7.058 0.939 1.00 5.03 H new ATOM 0 HE2 LYS A 103 -19.786 9.192 1.717 1.00 13.04 H new ATOM 0 HE3 LYS A 103 -19.477 9.682 0.064 1.00 13.04 H new ATOM 0 HZ1 LYS A 103 -21.468 10.704 0.923 1.00 73.50 H new ATOM 0 HZ2 LYS A 103 -21.857 9.660 -0.359 1.00 73.50 H new ATOM 0 HZ3 LYS A 103 -22.157 9.185 1.243 1.00 73.50 H new ATOM 1654 N TYR A 104 -16.473 4.563 -0.456 1.00 52.44 N ATOM 1655 CA TYR A 104 -16.424 3.366 -1.295 1.00 62.54 C ATOM 1656 C TYR A 104 -15.530 2.289 -0.685 1.00 22.31 C ATOM 1657 O TYR A 104 -15.703 1.100 -0.955 1.00 74.15 O ATOM 1658 CB TYR A 104 -15.990 3.729 -2.719 1.00 44.13 C ATOM 1659 CG TYR A 104 -16.407 2.724 -3.779 1.00 10.24 C ATOM 1660 CD1 TYR A 104 -17.774 2.528 -4.058 1.00 40.22 C ATOM 1661 CD2 TYR A 104 -15.441 2.021 -4.522 1.00 33.55 C ATOM 1662 CE1 TYR A 104 -18.178 1.668 -5.093 1.00 73.43 C ATOM 1663 CE2 TYR A 104 -15.842 1.143 -5.545 1.00 3.35 C ATOM 1664 CZ TYR A 104 -17.210 0.971 -5.849 1.00 14.04 C ATOM 1665 OH TYR A 104 -17.595 0.136 -6.854 1.00 54.33 O ATOM 0 H TYR A 104 -16.217 5.405 -0.972 1.00 52.44 H new ATOM 0 HA TYR A 104 -17.428 2.945 -1.348 1.00 62.54 H new ATOM 0 HB2 TYR A 104 -16.407 4.703 -2.975 1.00 44.13 H new ATOM 0 HB3 TYR A 104 -14.905 3.831 -2.740 1.00 44.13 H new ATOM 0 HD1 TYR A 104 -18.519 3.044 -3.470 1.00 40.22 H new ATOM 0 HD2 TYR A 104 -14.391 2.156 -4.307 1.00 33.55 H new ATOM 0 HE1 TYR A 104 -19.228 1.540 -5.310 1.00 73.43 H new ATOM 0 HE2 TYR A 104 -15.097 0.595 -6.103 1.00 3.35 H new ATOM 0 HH TYR A 104 -16.802 -0.261 -7.271 1.00 54.33 H new ATOM 1675 N ALA A 105 -14.538 2.703 0.110 1.00 3.43 N ATOM 1676 CA ALA A 105 -13.605 1.817 0.781 1.00 40.51 C ATOM 1677 C ALA A 105 -14.350 0.759 1.603 1.00 74.23 C ATOM 1678 O ALA A 105 -13.840 -0.351 1.750 1.00 13.51 O ATOM 1679 CB ALA A 105 -12.689 2.652 1.679 1.00 53.41 C ATOM 0 H ALA A 105 -14.365 3.689 0.304 1.00 3.43 H new ATOM 0 HA ALA A 105 -13.007 1.292 0.036 1.00 40.51 H new ATOM 0 HB1 ALA A 105 -11.983 1.996 2.189 1.00 53.41 H new ATOM 0 HB2 ALA A 105 -12.141 3.372 1.071 1.00 53.41 H new ATOM 0 HB3 ALA A 105 -13.289 3.183 2.418 1.00 53.41 H new ATOM 1685 N TYR A 106 -15.550 1.072 2.105 1.00 31.42 N ATOM 1686 CA TYR A 106 -16.349 0.144 2.889 1.00 53.55 C ATOM 1687 C TYR A 106 -16.672 -1.131 2.104 1.00 11.22 C ATOM 1688 O TYR A 106 -16.688 -2.214 2.688 1.00 2.05 O ATOM 1689 CB TYR A 106 -17.617 0.840 3.407 1.00 4.14 C ATOM 1690 CG TYR A 106 -18.889 0.525 2.637 1.00 74.30 C ATOM 1691 CD1 TYR A 106 -19.128 1.079 1.359 1.00 73.04 C ATOM 1692 CD2 TYR A 106 -19.796 -0.406 3.183 1.00 31.23 C ATOM 1693 CE1 TYR A 106 -20.300 0.725 0.655 1.00 33.11 C ATOM 1694 CE2 TYR A 106 -20.956 -0.764 2.480 1.00 0.15 C ATOM 1695 CZ TYR A 106 -21.210 -0.211 1.208 1.00 53.13 C ATOM 1696 OH TYR A 106 -22.302 -0.649 0.520 1.00 21.22 O ATOM 0 H TYR A 106 -15.990 1.983 1.974 1.00 31.42 H new ATOM 0 HA TYR A 106 -15.761 -0.169 3.752 1.00 53.55 H new ATOM 0 HB2 TYR A 106 -17.765 0.561 4.450 1.00 4.14 H new ATOM 0 HB3 TYR A 106 -17.455 1.918 3.385 1.00 4.14 H new ATOM 0 HD1 TYR A 106 -18.419 1.768 0.924 1.00 73.04 H new ATOM 0 HD2 TYR A 106 -19.596 -0.846 4.149 1.00 31.23 H new ATOM 0 HE1 TYR A 106 -20.504 1.169 -0.308 1.00 33.11 H new ATOM 0 HE2 TYR A 106 -21.655 -1.464 2.913 1.00 0.15 H new ATOM 0 HH TYR A 106 -22.800 -1.289 1.070 1.00 21.22 H new ATOM 1706 N GLN A 107 -16.921 -1.032 0.791 1.00 51.32 N ATOM 1707 CA GLN A 107 -17.219 -2.207 -0.017 1.00 14.25 C ATOM 1708 C GLN A 107 -16.001 -3.117 -0.003 1.00 2.34 C ATOM 1709 O GLN A 107 -16.113 -4.323 0.180 1.00 2.24 O ATOM 1710 CB GLN A 107 -17.540 -1.847 -1.467 1.00 41.24 C ATOM 1711 CG GLN A 107 -18.955 -1.293 -1.666 1.00 0.24 C ATOM 1712 CD GLN A 107 -19.501 -1.669 -3.040 1.00 30.32 C ATOM 1713 OE1 GLN A 107 -20.552 -2.302 -3.160 1.00 30.51 O ATOM 1714 NE2 GLN A 107 -18.799 -1.315 -4.106 1.00 14.31 N ATOM 0 H GLN A 107 -16.921 -0.152 0.274 1.00 51.32 H new ATOM 0 HA GLN A 107 -18.096 -2.696 0.407 1.00 14.25 H new ATOM 0 HB2 GLN A 107 -16.818 -1.109 -1.817 1.00 41.24 H new ATOM 0 HB3 GLN A 107 -17.416 -2.734 -2.088 1.00 41.24 H new ATOM 0 HG2 GLN A 107 -19.614 -1.682 -0.890 1.00 0.24 H new ATOM 0 HG3 GLN A 107 -18.943 -0.208 -1.560 1.00 0.24 H new ATOM 0 HE21 GLN A 107 -17.931 -0.791 -3.994 1.00 14.31 H new ATOM 0 HE22 GLN A 107 -19.127 -1.566 -5.039 1.00 14.31 H new ATOM 1723 N ARG A 108 -14.822 -2.526 -0.182 1.00 24.43 N ATOM 1724 CA ARG A 108 -13.570 -3.261 -0.201 1.00 44.13 C ATOM 1725 C ARG A 108 -13.319 -3.914 1.159 1.00 43.52 C ATOM 1726 O ARG A 108 -12.696 -4.966 1.215 1.00 31.22 O ATOM 1727 CB ARG A 108 -12.419 -2.314 -0.583 1.00 14.32 C ATOM 1728 CG ARG A 108 -12.721 -1.342 -1.746 1.00 34.52 C ATOM 1729 CD ARG A 108 -13.184 -2.046 -3.031 1.00 61.10 C ATOM 1730 NE ARG A 108 -12.312 -3.162 -3.408 1.00 40.13 N ATOM 1731 CZ ARG A 108 -11.031 -3.139 -3.777 1.00 12.21 C ATOM 1732 NH1 ARG A 108 -10.388 -1.993 -3.988 1.00 44.51 N ATOM 1733 NH2 ARG A 108 -10.389 -4.292 -3.880 1.00 31.53 N ATOM 0 H ARG A 108 -14.713 -1.521 -0.318 1.00 24.43 H new ATOM 0 HA ARG A 108 -13.627 -4.054 -0.947 1.00 44.13 H new ATOM 0 HB2 ARG A 108 -12.145 -1.729 0.295 1.00 14.32 H new ATOM 0 HB3 ARG A 108 -11.550 -2.915 -0.850 1.00 14.32 H new ATOM 0 HG2 ARG A 108 -13.491 -0.638 -1.430 1.00 34.52 H new ATOM 0 HG3 ARG A 108 -11.826 -0.759 -1.963 1.00 34.52 H new ATOM 0 HD2 ARG A 108 -14.200 -2.415 -2.893 1.00 61.10 H new ATOM 0 HD3 ARG A 108 -13.215 -1.323 -3.846 1.00 61.10 H new ATOM 0 HE ARG A 108 -12.746 -4.085 -3.385 1.00 40.13 H new ATOM 0 HH11 ARG A 108 -10.875 -1.105 -3.868 1.00 44.51 H new ATOM 0 HH12 ARG A 108 -9.408 -2.003 -4.270 1.00 44.51 H new ATOM 0 HH21 ARG A 108 -10.875 -5.166 -3.679 1.00 31.53 H new ATOM 0 HH22 ARG A 108 -9.408 -4.306 -4.160 1.00 31.53 H new ATOM 1747 N TYR A 109 -13.783 -3.314 2.257 1.00 1.32 N ATOM 1748 CA TYR A 109 -13.603 -3.896 3.574 1.00 23.31 C ATOM 1749 C TYR A 109 -14.442 -5.165 3.655 1.00 20.40 C ATOM 1750 O TYR A 109 -13.939 -6.216 4.030 1.00 52.33 O ATOM 1751 CB TYR A 109 -13.996 -2.887 4.663 1.00 62.43 C ATOM 1752 CG TYR A 109 -13.747 -3.345 6.090 1.00 52.15 C ATOM 1753 CD1 TYR A 109 -14.537 -4.357 6.680 1.00 13.45 C ATOM 1754 CD2 TYR A 109 -12.736 -2.730 6.846 1.00 4.53 C ATOM 1755 CE1 TYR A 109 -14.286 -4.775 8.001 1.00 35.21 C ATOM 1756 CE2 TYR A 109 -12.493 -3.135 8.166 1.00 32.13 C ATOM 1757 CZ TYR A 109 -13.253 -4.170 8.748 1.00 3.31 C ATOM 1758 OH TYR A 109 -12.984 -4.573 10.018 1.00 73.41 O ATOM 0 H TYR A 109 -14.285 -2.426 2.253 1.00 1.32 H new ATOM 0 HA TYR A 109 -12.556 -4.149 3.738 1.00 23.31 H new ATOM 0 HB2 TYR A 109 -13.445 -1.962 4.494 1.00 62.43 H new ATOM 0 HB3 TYR A 109 -15.055 -2.652 4.553 1.00 62.43 H new ATOM 0 HD1 TYR A 109 -15.337 -4.812 6.115 1.00 13.45 H new ATOM 0 HD2 TYR A 109 -12.143 -1.941 6.408 1.00 4.53 H new ATOM 0 HE1 TYR A 109 -14.884 -5.559 8.442 1.00 35.21 H new ATOM 0 HE2 TYR A 109 -11.718 -2.651 8.741 1.00 32.13 H new ATOM 0 HH TYR A 109 -12.240 -4.046 10.378 1.00 73.41 H new ATOM 1768 N GLN A 110 -15.729 -5.083 3.319 1.00 24.42 N ATOM 1769 CA GLN A 110 -16.627 -6.229 3.385 1.00 12.11 C ATOM 1770 C GLN A 110 -16.244 -7.322 2.388 1.00 40.30 C ATOM 1771 O GLN A 110 -16.543 -8.488 2.621 1.00 54.33 O ATOM 1772 CB GLN A 110 -18.110 -5.840 3.277 1.00 41.11 C ATOM 1773 CG GLN A 110 -18.475 -5.194 1.940 1.00 11.40 C ATOM 1774 CD GLN A 110 -19.975 -5.079 1.745 1.00 21.30 C ATOM 1775 OE1 GLN A 110 -20.615 -6.022 1.292 1.00 41.10 O ATOM 1776 NE2 GLN A 110 -20.569 -3.946 2.067 1.00 14.24 N ATOM 0 H GLN A 110 -16.174 -4.224 2.995 1.00 24.42 H new ATOM 0 HA GLN A 110 -16.500 -6.650 4.382 1.00 12.11 H new ATOM 0 HB2 GLN A 110 -18.722 -6.730 3.421 1.00 41.11 H new ATOM 0 HB3 GLN A 110 -18.356 -5.150 4.084 1.00 41.11 H new ATOM 0 HG2 GLN A 110 -18.027 -4.202 1.884 1.00 11.40 H new ATOM 0 HG3 GLN A 110 -18.049 -5.782 1.127 1.00 11.40 H new ATOM 0 HE21 GLN A 110 -20.021 -3.172 2.443 1.00 14.24 H new ATOM 0 HE22 GLN A 110 -21.576 -3.844 1.940 1.00 14.24 H new ATOM 1785 N GLU A 111 -15.630 -6.962 1.261 1.00 75.21 N ATOM 1786 CA GLU A 111 -15.254 -7.939 0.245 1.00 52.23 C ATOM 1787 C GLU A 111 -14.364 -9.057 0.791 1.00 65.12 C ATOM 1788 O GLU A 111 -14.604 -10.244 0.568 1.00 21.34 O ATOM 1789 CB GLU A 111 -14.625 -7.214 -0.956 1.00 75.30 C ATOM 1790 CG GLU A 111 -13.109 -7.192 -1.164 1.00 21.13 C ATOM 1791 CD GLU A 111 -12.694 -6.468 -2.457 1.00 1.20 C ATOM 1792 OE1 GLU A 111 -11.576 -6.700 -2.981 1.00 62.23 O ATOM 1793 OE2 GLU A 111 -13.456 -5.637 -2.995 1.00 31.10 O ATOM 0 H GLU A 111 -15.383 -6.000 1.030 1.00 75.21 H new ATOM 0 HA GLU A 111 -16.159 -8.446 -0.091 1.00 52.23 H new ATOM 0 HB2 GLU A 111 -15.063 -7.648 -1.855 1.00 75.30 H new ATOM 0 HB3 GLU A 111 -14.955 -6.176 -0.910 1.00 75.30 H new ATOM 0 HG2 GLU A 111 -12.637 -6.703 -0.312 1.00 21.13 H new ATOM 0 HG3 GLU A 111 -12.736 -8.216 -1.191 1.00 21.13 H new ATOM 1800 N ARG A 112 -13.386 -8.630 1.578 1.00 44.04 N ATOM 1801 CA ARG A 112 -12.365 -9.462 2.228 1.00 2.31 C ATOM 1802 C ARG A 112 -12.563 -9.749 3.710 1.00 44.14 C ATOM 1803 O ARG A 112 -12.105 -10.799 4.155 1.00 23.34 O ATOM 1804 CB ARG A 112 -11.011 -8.757 2.094 1.00 61.24 C ATOM 1805 CG ARG A 112 -10.426 -9.012 0.705 1.00 11.42 C ATOM 1806 CD ARG A 112 -9.589 -7.841 0.194 1.00 63.21 C ATOM 1807 NE ARG A 112 -9.624 -7.811 -1.274 1.00 42.21 N ATOM 1808 CZ ARG A 112 -9.212 -8.771 -2.112 1.00 51.52 C ATOM 1809 NH1 ARG A 112 -8.366 -9.723 -1.718 1.00 52.51 N ATOM 1810 NH2 ARG A 112 -9.678 -8.770 -3.355 1.00 52.41 N ATOM 0 H ARG A 112 -13.271 -7.640 1.796 1.00 44.04 H new ATOM 0 HA ARG A 112 -12.432 -10.424 1.719 1.00 2.31 H new ATOM 0 HB2 ARG A 112 -11.131 -7.686 2.256 1.00 61.24 H new ATOM 0 HB3 ARG A 112 -10.325 -9.120 2.859 1.00 61.24 H new ATOM 0 HG2 ARG A 112 -9.808 -9.909 0.735 1.00 11.42 H new ATOM 0 HG3 ARG A 112 -11.237 -9.207 0.004 1.00 11.42 H new ATOM 0 HD2 ARG A 112 -9.974 -6.904 0.596 1.00 63.21 H new ATOM 0 HD3 ARG A 112 -8.560 -7.938 0.541 1.00 63.21 H new ATOM 0 HE ARG A 112 -10.004 -6.967 -1.702 1.00 42.21 H new ATOM 0 HH11 ARG A 112 -8.018 -9.731 -0.759 1.00 52.51 H new ATOM 0 HH12 ARG A 112 -8.067 -10.443 -2.375 1.00 52.51 H new ATOM 0 HH21 ARG A 112 -10.335 -8.049 -3.653 1.00 52.41 H new ATOM 0 HH22 ARG A 112 -9.379 -9.491 -4.012 1.00 52.41 H new ATOM 1824 N TYR A 113 -13.221 -8.870 4.458 1.00 63.11 N ATOM 1825 CA TYR A 113 -13.439 -9.007 5.901 1.00 42.51 C ATOM 1826 C TYR A 113 -14.918 -9.075 6.267 1.00 4.13 C ATOM 1827 O TYR A 113 -15.274 -8.963 7.443 1.00 22.50 O ATOM 1828 CB TYR A 113 -12.761 -7.829 6.615 1.00 71.11 C ATOM 1829 CG TYR A 113 -11.369 -7.519 6.107 1.00 52.41 C ATOM 1830 CD1 TYR A 113 -11.113 -6.266 5.523 1.00 5.20 C ATOM 1831 CD2 TYR A 113 -10.379 -8.519 6.099 1.00 14.11 C ATOM 1832 CE1 TYR A 113 -9.894 -6.027 4.875 1.00 25.42 C ATOM 1833 CE2 TYR A 113 -9.152 -8.288 5.459 1.00 64.31 C ATOM 1834 CZ TYR A 113 -8.921 -7.049 4.825 1.00 71.45 C ATOM 1835 OH TYR A 113 -7.766 -6.847 4.144 1.00 74.12 O ATOM 0 H TYR A 113 -13.630 -8.019 4.071 1.00 63.11 H new ATOM 0 HA TYR A 113 -13.000 -9.951 6.224 1.00 42.51 H new ATOM 0 HB2 TYR A 113 -13.384 -6.942 6.502 1.00 71.11 H new ATOM 0 HB3 TYR A 113 -12.707 -8.046 7.682 1.00 71.11 H new ATOM 0 HD1 TYR A 113 -11.858 -5.486 5.574 1.00 5.20 H new ATOM 0 HD2 TYR A 113 -10.564 -9.465 6.586 1.00 14.11 H new ATOM 0 HE1 TYR A 113 -9.700 -5.068 4.417 1.00 25.42 H new ATOM 0 HE2 TYR A 113 -8.390 -9.053 5.452 1.00 64.31 H new ATOM 0 HH TYR A 113 -7.868 -6.075 3.549 1.00 74.12 H new ATOM 1845 N GLY A 114 -15.788 -9.216 5.274 1.00 33.51 N ATOM 1846 CA GLY A 114 -17.228 -9.293 5.442 1.00 22.24 C ATOM 1847 C GLY A 114 -17.813 -10.459 4.663 1.00 14.12 C ATOM 1848 O GLY A 114 -17.113 -11.390 4.262 1.00 63.22 O ATOM 0 H GLY A 114 -15.497 -9.282 4.299 1.00 33.51 H new ATOM 0 HA2 GLY A 114 -17.468 -9.403 6.500 1.00 22.24 H new ATOM 0 HA3 GLY A 114 -17.686 -8.362 5.106 1.00 22.24 H new ATOM 1852 N ASN A 115 -19.129 -10.413 4.486 1.00 43.43 N ATOM 1853 CA ASN A 115 -19.940 -11.398 3.800 1.00 44.51 C ATOM 1854 C ASN A 115 -20.763 -10.647 2.768 1.00 74.43 C ATOM 1855 O ASN A 115 -21.664 -9.878 3.109 1.00 62.00 O ATOM 1856 CB ASN A 115 -20.801 -12.196 4.798 1.00 15.41 C ATOM 1857 CG ASN A 115 -21.401 -11.369 5.935 1.00 55.41 C ATOM 1858 OD1 ASN A 115 -20.864 -11.357 7.042 1.00 42.31 O ATOM 1859 ND2 ASN A 115 -22.467 -10.622 5.698 1.00 1.30 N ATOM 0 H ASN A 115 -19.687 -9.637 4.842 1.00 43.43 H new ATOM 0 HA ASN A 115 -19.325 -12.145 3.298 1.00 44.51 H new ATOM 0 HB2 ASN A 115 -21.612 -12.678 4.252 1.00 15.41 H new ATOM 0 HB3 ASN A 115 -20.191 -12.990 5.228 1.00 15.41 H new ATOM 0 HD21 ASN A 115 -22.849 -10.030 6.436 1.00 1.30 H new ATOM 0 HD22 ASN A 115 -22.906 -10.638 4.778 1.00 1.30 H new ATOM 1866 N LYS A 116 -20.376 -10.769 1.500 1.00 0.22 N ATOM 1867 CA LYS A 116 -21.084 -10.123 0.398 1.00 54.00 C ATOM 1868 C LYS A 116 -22.479 -10.736 0.268 1.00 5.42 C ATOM 1869 O LYS A 116 -22.695 -11.842 0.767 1.00 73.40 O ATOM 1870 CB LYS A 116 -20.295 -10.306 -0.904 1.00 2.31 C ATOM 1871 CG LYS A 116 -20.002 -11.779 -1.248 1.00 73.32 C ATOM 1872 CD LYS A 116 -19.467 -11.859 -2.680 1.00 10.40 C ATOM 1873 CE LYS A 116 -19.109 -13.271 -3.132 1.00 62.23 C ATOM 1874 NZ LYS A 116 -18.436 -13.242 -4.448 1.00 12.41 N ATOM 0 H LYS A 116 -19.566 -11.316 1.209 1.00 0.22 H new ATOM 0 HA LYS A 116 -21.181 -9.056 0.597 1.00 54.00 H new ATOM 0 HB2 LYS A 116 -20.854 -9.855 -1.724 1.00 2.31 H new ATOM 0 HB3 LYS A 116 -19.352 -9.766 -0.826 1.00 2.31 H new ATOM 0 HG2 LYS A 116 -19.273 -12.191 -0.550 1.00 73.32 H new ATOM 0 HG3 LYS A 116 -20.909 -12.376 -1.151 1.00 73.32 H new ATOM 0 HD2 LYS A 116 -20.215 -11.450 -3.359 1.00 10.40 H new ATOM 0 HD3 LYS A 116 -18.582 -11.227 -2.762 1.00 10.40 H new ATOM 0 HE2 LYS A 116 -18.458 -13.740 -2.395 1.00 62.23 H new ATOM 0 HE3 LYS A 116 -20.012 -13.879 -3.193 1.00 62.23 H new ATOM 0 HZ1 LYS A 116 -18.200 -14.212 -4.739 1.00 12.41 H new ATOM 0 HZ2 LYS A 116 -19.070 -12.814 -5.153 1.00 12.41 H new ATOM 0 HZ3 LYS A 116 -17.564 -12.680 -4.380 1.00 12.41 H new ATOM 1888 N LYS A 117 -23.410 -10.060 -0.408 1.00 71.20 N ATOM 1889 CA LYS A 117 -24.760 -10.577 -0.593 1.00 24.32 C ATOM 1890 C LYS A 117 -25.274 -10.233 -1.973 1.00 41.54 C ATOM 1891 O LYS A 117 -25.083 -9.114 -2.450 1.00 32.03 O ATOM 1892 CB LYS A 117 -25.716 -10.009 0.464 1.00 22.23 C ATOM 1893 CG LYS A 117 -27.141 -10.559 0.256 1.00 53.13 C ATOM 1894 CD LYS A 117 -28.064 -10.235 1.439 1.00 33.04 C ATOM 1895 CE LYS A 117 -28.315 -8.736 1.646 1.00 51.50 C ATOM 1896 NZ LYS A 117 -29.045 -8.122 0.517 1.00 1.45 N ATOM 0 H LYS A 117 -23.249 -9.149 -0.837 1.00 71.20 H new ATOM 0 HA LYS A 117 -24.718 -11.661 -0.483 1.00 24.32 H new ATOM 0 HB2 LYS A 117 -25.361 -10.270 1.461 1.00 22.23 H new ATOM 0 HB3 LYS A 117 -25.728 -8.921 0.405 1.00 22.23 H new ATOM 0 HG2 LYS A 117 -27.562 -10.138 -0.657 1.00 53.13 H new ATOM 0 HG3 LYS A 117 -27.095 -11.639 0.118 1.00 53.13 H new ATOM 0 HD2 LYS A 117 -29.021 -10.735 1.287 1.00 33.04 H new ATOM 0 HD3 LYS A 117 -27.629 -10.649 2.349 1.00 33.04 H new ATOM 0 HE2 LYS A 117 -28.884 -8.590 2.564 1.00 51.50 H new ATOM 0 HE3 LYS A 117 -27.361 -8.226 1.777 1.00 51.50 H new ATOM 0 HZ1 LYS A 117 -29.482 -7.231 0.829 1.00 1.45 H new ATOM 0 HZ2 LYS A 117 -28.382 -7.928 -0.261 1.00 1.45 H new ATOM 0 HZ3 LYS A 117 -29.785 -8.774 0.187 1.00 1.45 H new ATOM 1910 N SER A 118 -25.976 -11.178 -2.579 1.00 21.41 N ATOM 1911 CA SER A 118 -26.591 -11.067 -3.876 1.00 73.41 C ATOM 1912 C SER A 118 -27.871 -11.902 -3.843 1.00 61.14 C ATOM 1913 O SER A 118 -27.859 -13.041 -3.372 1.00 14.34 O ATOM 1914 CB SER A 118 -25.641 -11.579 -4.944 1.00 61.04 C ATOM 1915 OG SER A 118 -24.723 -10.578 -5.345 1.00 25.11 O ATOM 0 H SER A 118 -26.136 -12.089 -2.149 1.00 21.41 H new ATOM 0 HA SER A 118 -26.824 -10.029 -4.113 1.00 73.41 H new ATOM 0 HB2 SER A 118 -25.096 -12.443 -4.564 1.00 61.04 H new ATOM 0 HB3 SER A 118 -26.212 -11.918 -5.808 1.00 61.04 H new ATOM 0 HG SER A 118 -24.623 -9.919 -4.626 1.00 25.11 H new ATOM 1921 N GLN A 119 -28.979 -11.341 -4.316 1.00 43.12 N ATOM 1922 CA GLN A 119 -30.284 -11.998 -4.366 1.00 14.51 C ATOM 1923 C GLN A 119 -31.138 -11.415 -5.499 1.00 0.31 C ATOM 1924 O GLN A 119 -31.933 -12.130 -6.105 1.00 53.21 O ATOM 1925 CB GLN A 119 -30.984 -11.880 -2.994 1.00 62.53 C ATOM 1926 CG GLN A 119 -31.390 -10.445 -2.623 1.00 43.34 C ATOM 1927 CD GLN A 119 -31.791 -10.305 -1.160 1.00 52.14 C ATOM 1928 OE1 GLN A 119 -30.983 -9.926 -0.316 1.00 24.15 O ATOM 1929 NE2 GLN A 119 -33.035 -10.601 -0.821 1.00 23.44 N ATOM 0 H GLN A 119 -28.996 -10.391 -4.686 1.00 43.12 H new ATOM 0 HA GLN A 119 -30.147 -13.058 -4.581 1.00 14.51 H new ATOM 0 HB2 GLN A 119 -31.874 -12.510 -2.996 1.00 62.53 H new ATOM 0 HB3 GLN A 119 -30.319 -12.270 -2.223 1.00 62.53 H new ATOM 0 HG2 GLN A 119 -30.559 -9.771 -2.833 1.00 43.34 H new ATOM 0 HG3 GLN A 119 -32.222 -10.133 -3.255 1.00 43.34 H new ATOM 0 HE21 GLN A 119 -33.696 -10.915 -1.531 1.00 23.44 H new ATOM 0 HE22 GLN A 119 -33.333 -10.516 0.151 1.00 23.44 H new ATOM 1938 N ASP A 120 -30.957 -10.128 -5.792 1.00 63.34 N ATOM 1939 CA ASP A 120 -31.638 -9.353 -6.824 1.00 44.42 C ATOM 1940 C ASP A 120 -30.621 -9.044 -7.922 1.00 15.43 C ATOM 1941 O ASP A 120 -29.415 -9.235 -7.736 1.00 33.21 O ATOM 1942 CB ASP A 120 -32.307 -8.065 -6.275 1.00 63.22 C ATOM 1943 CG ASP A 120 -31.973 -7.692 -4.825 1.00 11.40 C ATOM 1944 OD1 ASP A 120 -30.801 -7.326 -4.561 1.00 24.32 O ATOM 1945 OD2 ASP A 120 -32.844 -7.796 -3.944 1.00 62.21 O ATOM 0 H ASP A 120 -30.283 -9.561 -5.277 1.00 63.34 H new ATOM 0 HA ASP A 120 -32.462 -9.942 -7.227 1.00 44.42 H new ATOM 0 HB2 ASP A 120 -32.023 -7.231 -6.917 1.00 63.22 H new ATOM 0 HB3 ASP A 120 -33.388 -8.178 -6.359 1.00 63.22 H new ATOM 1950 N LEU A 121 -31.099 -8.599 -9.085 1.00 21.22 N ATOM 1951 CA LEU A 121 -30.270 -8.268 -10.237 1.00 11.15 C ATOM 1952 C LEU A 121 -30.154 -6.749 -10.298 1.00 3.35 C ATOM 1953 O LEU A 121 -31.181 -6.067 -10.281 1.00 5.34 O ATOM 1954 CB LEU A 121 -30.890 -8.815 -11.540 1.00 5.23 C ATOM 1955 CG LEU A 121 -30.708 -10.329 -11.776 1.00 24.41 C ATOM 1956 CD1 LEU A 121 -31.506 -11.202 -10.795 1.00 54.43 C ATOM 1957 CD2 LEU A 121 -31.165 -10.670 -13.199 1.00 60.41 C ATOM 0 H LEU A 121 -32.095 -8.457 -9.252 1.00 21.22 H new ATOM 0 HA LEU A 121 -29.286 -8.724 -10.134 1.00 11.15 H new ATOM 0 HB2 LEU A 121 -31.957 -8.591 -11.537 1.00 5.23 H new ATOM 0 HB3 LEU A 121 -30.454 -8.278 -12.383 1.00 5.23 H new ATOM 0 HG LEU A 121 -29.651 -10.544 -11.621 1.00 24.41 H new ATOM 0 HD11 LEU A 121 -31.331 -12.254 -11.019 1.00 54.43 H new ATOM 0 HD12 LEU A 121 -31.185 -10.990 -9.775 1.00 54.43 H new ATOM 0 HD13 LEU A 121 -32.569 -10.982 -10.894 1.00 54.43 H new ATOM 0 HD21 LEU A 121 -31.040 -11.738 -13.375 1.00 60.41 H new ATOM 0 HD22 LEU A 121 -32.215 -10.403 -13.318 1.00 60.41 H new ATOM 0 HD23 LEU A 121 -30.565 -10.111 -13.917 1.00 60.41 H new ATOM 1969 N LYS A 122 -28.930 -6.217 -10.335 1.00 42.20 N ATOM 1970 CA LYS A 122 -28.647 -4.791 -10.398 1.00 22.12 C ATOM 1971 C LYS A 122 -27.435 -4.590 -11.277 1.00 64.04 C ATOM 1972 O LYS A 122 -26.453 -5.343 -11.091 1.00 74.44 O ATOM 1973 CB LYS A 122 -28.385 -4.228 -8.989 1.00 53.32 C ATOM 1974 CG LYS A 122 -29.631 -4.105 -8.094 1.00 1.20 C ATOM 1975 CD LYS A 122 -30.635 -3.052 -8.584 1.00 65.45 C ATOM 1976 CE LYS A 122 -30.078 -1.643 -8.344 1.00 52.43 C ATOM 1977 NZ LYS A 122 -30.414 -0.698 -9.429 1.00 33.13 N ATOM 0 H LYS A 122 -28.086 -6.789 -10.321 1.00 42.20 H new ATOM 0 HA LYS A 122 -29.504 -4.261 -10.813 1.00 22.12 H new ATOM 0 HB2 LYS A 122 -27.658 -4.868 -8.488 1.00 53.32 H new ATOM 0 HB3 LYS A 122 -27.928 -3.243 -9.087 1.00 53.32 H new ATOM 0 HG2 LYS A 122 -30.128 -5.073 -8.042 1.00 1.20 H new ATOM 0 HG3 LYS A 122 -29.318 -3.853 -7.081 1.00 1.20 H new ATOM 0 HD2 LYS A 122 -30.837 -3.196 -9.645 1.00 65.45 H new ATOM 0 HD3 LYS A 122 -31.584 -3.171 -8.060 1.00 65.45 H new ATOM 0 HE2 LYS A 122 -30.468 -1.259 -7.401 1.00 52.43 H new ATOM 0 HE3 LYS A 122 -28.994 -1.699 -8.241 1.00 52.43 H new ATOM 0 HZ1 LYS A 122 -30.012 0.236 -9.212 1.00 33.13 H new ATOM 0 HZ2 LYS A 122 -30.019 -1.045 -10.326 1.00 33.13 H new ATOM 0 HZ3 LYS A 122 -31.448 -0.619 -9.513 1.00 33.13 H new TER 1991 LYS A 122