USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 7 ASN : amide:sc= -5.76! C(o=-11!,f=-7.7!) USER MOD Set 1.2: A 10 THR OG1 : rot -60:sc= -0.665 USER MOD Set 1.3: A 115 TYR OH : rot 35:sc= 0.231 USER MOD Set 1.4: A 116 ASN : amide:sc= -1.53 K(o=-11,f=-7.7!) USER MOD Set 1.5: A 119 HIS : no HE2:sc= -3.33 K(o=-11,f=-13!) USER MOD Set 2.1: A 5 TYR OH : rot -13:sc= -0.462 USER MOD Set 2.2: A 57 TYR OH : rot -46:sc= 0.022 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 159:sc= -2.95! USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 25:sc= 0.497 USER MOD Single : A 39 THR OG1 : rot -64:sc= 1.29 USER MOD Single : A 40 MET CE :methyl -114:sc= -6.35! (180deg=-10.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -7.17! C(o=-7.2!,f=-11!) USER MOD Single : A 73 SER OG : rot -81:sc= -0.0796 USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0.183 (180deg=0.0559) USER MOD Single : A 82 MET CE :methyl -155:sc= -1.63 (180deg=-4.86!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 60:sc= 0.361 USER MOD Single : A 102 CYS SG : rot 180:sc= -0.103 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc=-0.00833 (180deg=-0.0549) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.806 7.230 30.423 1.00 3.92 N ATOM 2 CA PRO A 1 2.717 7.335 29.414 1.00 3.44 C ATOM 3 C PRO A 1 1.754 8.466 29.785 1.00 3.50 C ATOM 4 O PRO A 1 0.590 8.239 30.051 1.00 4.94 O ATOM 5 CB PRO A 1 2.017 5.983 29.488 1.00 2.00 C ATOM 6 CG PRO A 1 2.308 5.479 30.862 1.00 4.99 C ATOM 7 CD PRO A 1 3.652 6.032 31.255 1.00 3.38 C ATOM 0 H2 PRO A 1 3.804 8.060 31.016 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.709 7.204 29.950 1.00 3.92 H new ATOM 0 HA PRO A 1 3.085 7.561 28.413 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.944 6.083 29.322 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.395 5.300 28.728 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.538 5.801 31.563 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.319 4.389 30.879 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.687 6.277 32.316 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.449 5.312 31.068 1.00 3.38 H new ATOM 17 N THR A 2 2.228 9.681 29.805 1.00 3.08 N ATOM 18 CA THR A 2 1.338 10.822 30.160 1.00 2.08 C ATOM 19 C THR A 2 0.971 11.615 28.903 1.00 2.52 C ATOM 20 O THR A 2 1.804 12.262 28.300 1.00 2.28 O ATOM 21 CB THR A 2 2.161 11.686 31.116 1.00 3.47 C ATOM 22 OG1 THR A 2 2.394 10.967 32.319 1.00 3.73 O ATOM 23 CG2 THR A 2 1.396 12.974 31.427 1.00 3.09 C ATOM 0 H THR A 2 3.193 9.933 29.591 1.00 3.08 H new ATOM 0 HA THR A 2 0.403 10.491 30.613 1.00 2.08 H new ATOM 0 HB THR A 2 3.115 11.936 30.652 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.923 11.519 32.933 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.983 13.590 32.109 1.00 3.09 H new ATOM 0 HG22 THR A 2 1.218 13.524 30.503 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.441 12.727 31.892 1.00 3.09 H new ATOM 31 N VAL A 3 -0.269 11.568 28.500 1.00 10.00 N ATOM 32 CA VAL A 3 -0.683 12.319 27.281 1.00 10.00 C ATOM 33 C VAL A 3 -1.329 13.650 27.675 1.00 10.00 C ATOM 34 O VAL A 3 -1.655 13.877 28.824 1.00 10.00 O ATOM 35 CB VAL A 3 -1.699 11.413 26.584 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.026 11.984 25.202 1.00 10.00 C ATOM 37 CG2 VAL A 3 -1.110 10.010 26.428 1.00 10.00 C ATOM 0 H VAL A 3 -1.012 11.043 28.961 1.00 10.00 H new ATOM 0 HA VAL A 3 0.162 12.556 26.634 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.609 11.361 27.182 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.750 11.339 24.704 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.446 12.984 25.311 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.115 12.036 24.605 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.834 9.364 25.931 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -0.200 10.062 25.830 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.875 9.603 27.411 1.00 10.00 H new ATOM 47 N GLU A 4 -1.513 14.531 26.732 1.00 10.00 N ATOM 48 CA GLU A 4 -2.135 15.848 27.052 1.00 10.00 C ATOM 49 C GLU A 4 -3.208 16.194 26.017 1.00 10.00 C ATOM 50 O GLU A 4 -2.916 16.414 24.858 1.00 10.00 O ATOM 51 CB GLU A 4 -0.986 16.853 26.988 1.00 50.00 C ATOM 52 CG GLU A 4 -1.244 17.988 27.981 1.00 50.00 C ATOM 53 CD GLU A 4 -0.593 17.645 29.323 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.490 17.085 29.308 1.00 50.00 O ATOM 55 OE2 GLU A 4 -1.190 17.949 30.343 1.00 50.00 O ATOM 0 H GLU A 4 -1.260 14.397 25.753 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.624 15.847 28.026 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.043 16.359 27.222 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.895 17.253 25.978 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -0.838 18.923 27.595 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.316 18.136 28.111 1.00 50.00 H new ATOM 62 N TYR A 5 -4.447 16.245 26.424 1.00 10.00 N ATOM 63 CA TYR A 5 -5.532 16.579 25.460 1.00 10.00 C ATOM 64 C TYR A 5 -5.916 18.056 25.582 1.00 10.00 C ATOM 65 O TYR A 5 -6.175 18.555 26.661 1.00 10.00 O ATOM 66 CB TYR A 5 -6.706 15.679 25.848 1.00 10.00 C ATOM 67 CG TYR A 5 -7.221 16.071 27.213 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.213 17.053 27.332 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.710 15.451 28.359 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.693 17.414 28.597 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.190 15.813 29.625 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.181 16.795 29.743 1.00 50.00 C ATOM 73 OH TYR A 5 -8.654 17.150 30.990 1.00 50.00 O ATOM 0 H TYR A 5 -4.754 16.070 27.381 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.226 16.419 24.426 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.503 15.766 25.110 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.390 14.636 25.854 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.608 17.532 26.448 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.946 14.693 28.268 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.459 18.170 28.688 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.796 15.335 30.509 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.183 17.972 30.917 1.00 50.00 H new ATOM 83 N LEU A 6 -5.954 18.757 24.481 1.00 10.00 N ATOM 84 CA LEU A 6 -6.320 20.203 24.521 1.00 10.00 C ATOM 85 C LEU A 6 -7.487 20.469 23.563 1.00 10.00 C ATOM 86 O LEU A 6 -7.359 20.344 22.361 1.00 10.00 O ATOM 87 CB LEU A 6 -5.052 20.940 24.070 1.00 12.50 C ATOM 88 CG LEU A 6 -5.350 22.426 23.815 1.00 12.50 C ATOM 89 CD1 LEU A 6 -6.361 22.950 24.838 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.052 23.226 23.937 1.00 50.00 C ATOM 0 H LEU A 6 -5.747 18.390 23.552 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.644 20.532 25.508 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.279 20.844 24.833 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.662 20.481 23.162 1.00 12.50 H new ATOM 0 HG LEU A 6 -5.768 22.537 22.815 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -6.562 24.004 24.644 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -7.288 22.383 24.756 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.954 22.837 25.843 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.257 24.281 23.757 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.641 23.102 24.939 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -3.332 22.866 23.202 1.00 50.00 H new ATOM 102 N ASN A 7 -8.626 20.826 24.092 1.00 10.00 N ATOM 103 CA ASN A 7 -9.813 21.091 23.223 1.00 10.00 C ATOM 104 C ASN A 7 -9.420 21.934 22.007 1.00 10.00 C ATOM 105 O ASN A 7 -8.940 23.042 22.137 1.00 10.00 O ATOM 106 CB ASN A 7 -10.784 21.865 24.114 1.00 10.00 C ATOM 107 CG ASN A 7 -12.175 21.865 23.474 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.744 20.820 23.231 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.749 23.002 23.192 1.00 12.50 N ATOM 0 H ASN A 7 -8.788 20.946 25.092 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.248 20.170 22.836 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.827 21.410 25.104 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.434 22.888 24.248 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.676 23.014 22.767 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.271 23.879 23.396 1.00 12.50 H new ATOM 116 N TYR A 8 -9.632 21.421 20.825 1.00 50.00 N ATOM 117 CA TYR A 8 -9.283 22.200 19.604 1.00 50.00 C ATOM 118 C TYR A 8 -10.083 23.504 19.578 1.00 50.00 C ATOM 119 O TYR A 8 -9.592 24.539 19.175 1.00 50.00 O ATOM 120 CB TYR A 8 -9.678 21.302 18.428 1.00 50.00 C ATOM 121 CG TYR A 8 -9.756 22.128 17.164 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.920 22.846 16.869 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.664 22.176 16.288 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.994 23.611 15.699 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.737 22.942 15.119 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.902 23.660 14.824 1.00 50.00 C ATOM 127 OH TYR A 8 -9.974 24.415 13.671 1.00 50.00 O ATOM 0 H TYR A 8 -10.031 20.498 20.653 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.227 22.467 19.568 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.948 20.502 18.307 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.640 20.829 18.625 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.762 22.810 17.544 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.765 21.622 16.515 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.894 24.164 15.471 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -7.894 22.979 14.444 1.00 50.00 H new ATOM 0 HH TYR A 8 -9.069 24.618 13.356 1.00 50.00 H new ATOM 137 N GLU A 9 -11.315 23.462 20.013 1.00 25.00 N ATOM 138 CA GLU A 9 -12.144 24.700 20.018 1.00 25.00 C ATOM 139 C GLU A 9 -11.474 25.767 20.885 1.00 25.00 C ATOM 140 O GLU A 9 -11.528 26.945 20.589 1.00 25.00 O ATOM 141 CB GLU A 9 -13.484 24.280 20.623 1.00 50.00 C ATOM 142 CG GLU A 9 -14.599 24.507 19.599 1.00 50.00 C ATOM 143 CD GLU A 9 -15.910 24.800 20.330 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.878 24.899 21.546 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.924 24.922 19.662 1.00 50.00 O ATOM 0 H GLU A 9 -11.781 22.625 20.364 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.267 25.124 19.021 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.451 23.230 20.914 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.683 24.855 21.527 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.342 25.339 18.944 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.712 23.626 18.967 1.00 50.00 H new ATOM 152 N THR A 10 -10.838 25.364 21.950 1.00 50.00 N ATOM 153 CA THR A 10 -10.160 26.357 22.831 1.00 50.00 C ATOM 154 C THR A 10 -9.106 27.120 22.027 1.00 50.00 C ATOM 155 O THR A 10 -8.793 28.259 22.315 1.00 50.00 O ATOM 156 CB THR A 10 -9.501 25.529 23.935 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.493 25.100 24.857 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.458 26.380 24.661 1.00 50.00 C ATOM 0 H THR A 10 -10.758 24.392 22.248 1.00 50.00 H new ATOM 0 HA THR A 10 -10.851 27.093 23.241 1.00 50.00 H new ATOM 0 HB THR A 10 -9.012 24.659 23.496 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.931 25.882 25.253 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.989 25.788 25.447 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.698 26.708 23.952 1.00 50.00 H new ATOM 0 HG23 THR A 10 -8.942 27.251 25.102 1.00 50.00 H new ATOM 166 N LEU A 11 -8.562 26.502 21.015 1.00 50.00 N ATOM 167 CA LEU A 11 -7.537 27.192 20.185 1.00 50.00 C ATOM 168 C LEU A 11 -8.191 28.333 19.405 1.00 50.00 C ATOM 169 O LEU A 11 -7.742 29.461 19.438 1.00 50.00 O ATOM 170 CB LEU A 11 -7.012 26.118 19.232 1.00 50.00 C ATOM 171 CG LEU A 11 -5.635 26.529 18.709 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.176 25.527 17.648 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.721 27.925 18.088 1.00 50.00 C ATOM 0 H LEU A 11 -8.784 25.549 20.728 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.736 27.627 20.782 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.946 25.160 19.748 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.704 25.985 18.400 1.00 50.00 H new ATOM 0 HG LEU A 11 -4.921 26.542 19.533 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.195 25.818 17.273 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.116 24.532 18.089 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -5.890 25.516 16.825 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.740 28.218 17.715 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -6.434 27.913 17.264 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.051 28.639 18.843 1.00 50.00 H new ATOM 185 N ASP A 12 -9.261 28.048 18.712 1.00 50.00 N ATOM 186 CA ASP A 12 -9.956 29.116 17.941 1.00 50.00 C ATOM 187 C ASP A 12 -10.778 29.986 18.892 1.00 50.00 C ATOM 188 O ASP A 12 -10.809 31.195 18.776 1.00 50.00 O ATOM 189 CB ASP A 12 -10.870 28.375 16.964 1.00 50.00 C ATOM 190 CG ASP A 12 -11.409 29.357 15.922 1.00 50.00 C ATOM 191 OD1 ASP A 12 -12.185 30.221 16.296 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.035 29.230 14.767 1.00 50.00 O ATOM 0 H ASP A 12 -9.683 27.122 18.647 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.260 29.774 17.420 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.320 27.573 16.472 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.696 27.911 17.503 1.00 50.00 H new ATOM 197 N ASP A 13 -11.440 29.379 19.842 1.00 50.00 N ATOM 198 CA ASP A 13 -12.251 30.172 20.806 1.00 50.00 C ATOM 199 C ASP A 13 -11.427 31.349 21.330 1.00 50.00 C ATOM 200 O ASP A 13 -11.748 32.499 21.100 1.00 50.00 O ATOM 201 CB ASP A 13 -12.583 29.199 21.938 1.00 50.00 C ATOM 202 CG ASP A 13 -13.663 29.807 22.835 1.00 50.00 C ATOM 203 OD1 ASP A 13 -13.307 30.529 23.753 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.828 29.542 22.590 1.00 50.00 O ATOM 0 H ASP A 13 -11.453 28.370 19.990 1.00 50.00 H new ATOM 0 HA ASP A 13 -13.152 30.587 20.354 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.929 28.251 21.527 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.688 28.986 22.522 1.00 50.00 H new ATOM 209 N GLN A 14 -10.359 31.070 22.026 1.00 50.00 N ATOM 210 CA GLN A 14 -9.507 32.170 22.557 1.00 50.00 C ATOM 211 C GLN A 14 -8.753 32.846 21.409 1.00 50.00 C ATOM 212 O GLN A 14 -8.125 33.872 21.582 1.00 50.00 O ATOM 213 CB GLN A 14 -8.529 31.488 23.515 1.00 50.00 C ATOM 214 CG GLN A 14 -7.759 32.550 24.301 1.00 50.00 C ATOM 215 CD GLN A 14 -8.270 32.584 25.744 1.00 50.00 C ATOM 216 OE1 GLN A 14 -9.253 33.236 26.037 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.638 31.907 26.662 1.00 50.00 N ATOM 0 H GLN A 14 -10.040 30.127 22.250 1.00 50.00 H new ATOM 0 HA GLN A 14 -10.090 32.944 23.057 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -9.070 30.835 24.200 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.835 30.860 22.957 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.692 32.327 24.286 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.887 33.527 23.835 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -6.813 31.360 26.415 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.969 31.924 27.627 1.00 50.00 H new ATOM 226 N GLY A 15 -8.813 32.278 20.235 1.00 50.00 N ATOM 227 CA GLY A 15 -8.105 32.885 19.073 1.00 50.00 C ATOM 228 C GLY A 15 -6.593 32.756 19.271 1.00 50.00 C ATOM 229 O GLY A 15 -5.835 33.636 18.918 1.00 50.00 O ATOM 0 H GLY A 15 -9.323 31.418 20.031 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -8.405 32.388 18.151 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -8.381 33.935 18.974 1.00 50.00 H new ATOM 233 N TRP A 16 -6.150 31.666 19.836 1.00 50.00 N ATOM 234 CA TRP A 16 -4.687 31.483 20.059 1.00 50.00 C ATOM 235 C TRP A 16 -4.037 30.881 18.808 1.00 50.00 C ATOM 236 O TRP A 16 -4.705 30.551 17.848 1.00 50.00 O ATOM 237 CB TRP A 16 -4.585 30.514 21.238 1.00 50.00 C ATOM 238 CG TRP A 16 -4.197 31.262 22.475 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.369 30.791 23.436 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.604 32.595 22.903 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.240 31.750 24.425 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.983 32.879 24.143 1.00 50.00 C ATOM 243 CE3 TRP A 16 -5.443 33.576 22.344 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -4.186 34.093 24.801 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -5.650 34.798 23.004 1.00 50.00 C ATOM 246 CH2 TRP A 16 -5.023 35.056 24.231 1.00 50.00 C ATOM 0 H TRP A 16 -6.737 30.895 20.153 1.00 50.00 H new ATOM 0 HA TRP A 16 -4.176 32.424 20.262 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.540 30.010 21.391 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.847 29.741 21.023 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.887 29.824 23.432 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.666 31.637 25.261 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.932 33.388 21.400 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.699 34.287 25.745 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -6.296 35.543 22.564 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -5.187 35.997 24.735 1.00 50.00 H new ATOM 257 N ASP A 17 -2.740 30.737 18.811 1.00 50.00 N ATOM 258 CA ASP A 17 -2.052 30.158 17.621 1.00 50.00 C ATOM 259 C ASP A 17 -1.995 28.631 17.731 1.00 50.00 C ATOM 260 O ASP A 17 -2.441 28.052 18.701 1.00 50.00 O ATOM 261 CB ASP A 17 -0.643 30.749 17.649 1.00 50.00 C ATOM 262 CG ASP A 17 -0.444 31.654 16.432 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.395 32.317 16.050 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.655 31.670 15.902 1.00 50.00 O ATOM 0 H ASP A 17 -2.127 30.995 19.585 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.573 30.390 16.692 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -0.494 31.318 18.567 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.098 29.950 17.646 1.00 50.00 H new ATOM 269 N MET A 18 -1.450 27.975 16.742 1.00 50.00 N ATOM 270 CA MET A 18 -1.366 26.487 16.791 1.00 50.00 C ATOM 271 C MET A 18 -0.276 26.051 17.774 1.00 50.00 C ATOM 272 O MET A 18 -0.472 25.160 18.576 1.00 50.00 O ATOM 273 CB MET A 18 -1.003 26.062 15.368 1.00 50.00 C ATOM 274 CG MET A 18 -2.272 25.988 14.516 1.00 50.00 C ATOM 275 SD MET A 18 -1.859 25.342 12.876 1.00 50.00 S ATOM 276 CE MET A 18 -3.185 24.115 12.772 1.00 50.00 C ATOM 0 H MET A 18 -1.060 28.405 15.903 1.00 50.00 H new ATOM 0 HA MET A 18 -2.298 26.033 17.127 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.301 26.774 14.933 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.505 25.092 15.383 1.00 50.00 H new ATOM 0 HG2 MET A 18 -3.009 25.345 14.997 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.721 26.977 14.427 1.00 50.00 H new ATOM 0 HE1 MET A 18 -3.119 23.588 11.820 1.00 50.00 H new ATOM 0 HE2 MET A 18 -3.085 23.401 13.590 1.00 50.00 H new ATOM 0 HE3 MET A 18 -4.151 24.616 12.843 1.00 50.00 H new ATOM 286 N ASP A 19 0.872 26.667 17.715 1.00 50.00 N ATOM 287 CA ASP A 19 1.972 26.282 18.645 1.00 50.00 C ATOM 288 C ASP A 19 2.700 27.526 19.159 1.00 50.00 C ATOM 289 O ASP A 19 3.720 27.434 19.813 1.00 50.00 O ATOM 290 CB ASP A 19 2.913 25.419 17.805 1.00 50.00 C ATOM 291 CG ASP A 19 2.383 23.985 17.759 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.705 23.226 18.658 1.00 50.00 O ATOM 293 OD2 ASP A 19 1.663 23.670 16.825 1.00 50.00 O ATOM 0 H ASP A 19 1.097 27.420 17.064 1.00 50.00 H new ATOM 0 HA ASP A 19 1.602 25.751 19.522 1.00 50.00 H new ATOM 0 HB2 ASP A 19 2.990 25.822 16.795 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.916 25.434 18.232 1.00 50.00 H new ATOM 298 N ASP A 20 2.187 28.691 18.870 1.00 50.00 N ATOM 299 CA ASP A 20 2.856 29.936 19.348 1.00 50.00 C ATOM 300 C ASP A 20 2.550 30.161 20.831 1.00 50.00 C ATOM 301 O ASP A 20 3.441 30.246 21.652 1.00 50.00 O ATOM 302 CB ASP A 20 2.262 31.059 18.498 1.00 50.00 C ATOM 303 CG ASP A 20 3.369 32.039 18.104 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.387 31.584 17.609 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.179 33.228 18.302 1.00 50.00 O ATOM 0 H ASP A 20 1.337 28.835 18.326 1.00 50.00 H new ATOM 0 HA ASP A 20 3.941 29.887 19.251 1.00 50.00 H new ATOM 0 HB2 ASP A 20 1.793 30.645 17.605 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.483 31.579 19.056 1.00 50.00 H new ATOM 310 N ASP A 21 1.297 30.257 21.182 1.00 50.00 N ATOM 311 CA ASP A 21 0.939 30.474 22.614 1.00 50.00 C ATOM 312 C ASP A 21 1.066 29.164 23.393 1.00 50.00 C ATOM 313 O ASP A 21 0.970 29.139 24.605 1.00 50.00 O ATOM 314 CB ASP A 21 -0.513 30.950 22.593 1.00 50.00 C ATOM 315 CG ASP A 21 -0.550 32.476 22.694 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.381 33.104 22.217 1.00 50.00 O ATOM 317 OD2 ASP A 21 -1.508 32.991 23.248 1.00 50.00 O ATOM 0 H ASP A 21 0.506 30.195 20.541 1.00 50.00 H new ATOM 0 HA ASP A 21 1.595 31.196 23.100 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -1.001 30.624 21.675 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -1.065 30.506 23.422 1.00 50.00 H new ATOM 322 N ASP A 22 1.282 28.076 22.709 1.00 50.00 N ATOM 323 CA ASP A 22 1.416 26.769 23.412 1.00 50.00 C ATOM 324 C ASP A 22 0.225 26.546 24.346 1.00 50.00 C ATOM 325 O ASP A 22 0.387 26.247 25.512 1.00 50.00 O ATOM 326 CB ASP A 22 2.714 26.877 24.213 1.00 50.00 C ATOM 327 CG ASP A 22 3.808 27.487 23.334 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.093 26.914 22.294 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.343 28.514 23.716 1.00 50.00 O ATOM 0 H ASP A 22 1.372 28.034 21.694 1.00 50.00 H new ATOM 0 HA ASP A 22 1.436 25.929 22.718 1.00 50.00 H new ATOM 0 HB2 ASP A 22 2.557 27.494 25.098 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.021 25.891 24.562 1.00 50.00 H new ATOM 334 N LEU A 23 -0.967 26.689 23.836 1.00 50.00 N ATOM 335 CA LEU A 23 -2.181 26.484 24.685 1.00 50.00 C ATOM 336 C LEU A 23 -1.973 25.293 25.626 1.00 50.00 C ATOM 337 O LEU A 23 -2.302 25.346 26.794 1.00 50.00 O ATOM 338 CB LEU A 23 -3.308 26.189 23.695 1.00 50.00 C ATOM 339 CG LEU A 23 -3.793 27.496 23.065 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.670 27.178 21.852 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.608 28.286 24.090 1.00 50.00 C ATOM 0 H LEU A 23 -1.156 26.940 22.866 1.00 50.00 H new ATOM 0 HA LEU A 23 -2.400 27.350 25.310 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.956 25.509 22.920 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -4.133 25.691 24.205 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.935 28.090 22.750 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -5.017 28.107 21.401 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.090 26.614 21.121 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -5.528 26.586 22.169 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.953 29.217 23.641 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.468 27.695 24.405 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.985 28.510 24.956 1.00 50.00 H new ATOM 353 N PHE A 24 -1.421 24.223 25.125 1.00 50.00 N ATOM 354 CA PHE A 24 -1.182 23.030 25.985 1.00 50.00 C ATOM 355 C PHE A 24 -0.561 23.470 27.309 1.00 50.00 C ATOM 356 O PHE A 24 -0.725 22.834 28.331 1.00 50.00 O ATOM 357 CB PHE A 24 -0.192 22.168 25.200 1.00 50.00 C ATOM 358 CG PHE A 24 -0.940 21.273 24.243 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.582 20.125 24.718 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.987 21.588 22.880 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.272 19.290 23.831 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.676 20.754 21.992 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.319 19.605 22.468 1.00 50.00 C ATOM 0 H PHE A 24 -1.124 24.123 24.154 1.00 50.00 H new ATOM 0 HA PHE A 24 -2.101 22.490 26.215 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.502 22.804 24.650 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.403 21.565 25.886 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.546 19.882 25.770 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -0.491 22.475 22.513 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.768 18.403 24.198 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.712 20.997 20.940 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.851 18.962 21.783 1.00 50.00 H new ATOM 373 N GLU A 25 0.156 24.558 27.290 1.00 50.00 N ATOM 374 CA GLU A 25 0.799 25.051 28.542 1.00 50.00 C ATOM 375 C GLU A 25 -0.012 26.206 29.137 1.00 50.00 C ATOM 376 O GLU A 25 -0.303 26.227 30.317 1.00 50.00 O ATOM 377 CB GLU A 25 2.185 25.536 28.111 1.00 50.00 C ATOM 378 CG GLU A 25 3.152 24.351 28.067 1.00 50.00 C ATOM 379 CD GLU A 25 3.633 24.033 29.485 1.00 50.00 C ATOM 380 OE1 GLU A 25 3.474 24.881 30.348 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.151 22.946 29.684 1.00 50.00 O ATOM 0 H GLU A 25 0.325 25.129 26.462 1.00 50.00 H new ATOM 0 HA GLU A 25 0.856 24.277 29.308 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.128 26.008 27.130 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.550 26.291 28.807 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.658 23.481 27.635 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.003 24.585 27.427 1.00 50.00 H new ATOM 388 N LYS A 26 -0.377 27.165 28.333 1.00 50.00 N ATOM 389 CA LYS A 26 -1.168 28.316 28.857 1.00 50.00 C ATOM 390 C LYS A 26 -2.514 27.832 29.401 1.00 50.00 C ATOM 391 O LYS A 26 -3.085 28.426 30.293 1.00 50.00 O ATOM 392 CB LYS A 26 -1.378 29.234 27.654 1.00 50.00 C ATOM 393 CG LYS A 26 -1.888 30.594 28.136 1.00 50.00 C ATOM 394 CD LYS A 26 -0.782 31.638 27.979 1.00 50.00 C ATOM 395 CE LYS A 26 -1.348 33.029 28.272 1.00 50.00 C ATOM 396 NZ LYS A 26 -0.316 33.976 27.763 1.00 50.00 N ATOM 0 H LYS A 26 -0.163 27.203 27.336 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.659 28.825 29.676 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.442 29.357 27.108 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -2.094 28.789 26.963 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -2.766 30.890 27.562 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -2.197 30.530 29.179 1.00 50.00 H new ATOM 0 HD2 LYS A 26 0.040 31.417 28.660 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -0.376 31.604 26.968 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -2.304 33.180 27.772 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -1.521 33.169 29.339 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -0.631 34.954 27.927 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 0.582 33.813 28.262 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -0.178 33.824 26.744 1.00 50.00 H new ATOM 410 N ALA A 27 -3.024 26.756 28.869 1.00 50.00 N ATOM 411 CA ALA A 27 -4.333 26.234 29.353 1.00 50.00 C ATOM 412 C ALA A 27 -4.192 25.685 30.776 1.00 50.00 C ATOM 413 O ALA A 27 -5.164 25.334 31.414 1.00 50.00 O ATOM 414 CB ALA A 27 -4.698 25.114 28.379 1.00 50.00 C ATOM 0 H ALA A 27 -2.591 26.216 28.120 1.00 50.00 H new ATOM 0 HA ALA A 27 -5.099 27.009 29.388 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.654 24.677 28.669 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.775 25.520 27.370 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.926 24.345 28.402 1.00 50.00 H new ATOM 420 N ALA A 28 -2.989 25.609 31.278 1.00 50.00 N ATOM 421 CA ALA A 28 -2.789 25.083 32.660 1.00 50.00 C ATOM 422 C ALA A 28 -2.787 26.234 33.668 1.00 50.00 C ATOM 423 O ALA A 28 -3.143 26.066 34.818 1.00 50.00 O ATOM 424 CB ALA A 28 -1.425 24.395 32.630 1.00 50.00 C ATOM 0 H ALA A 28 -2.137 25.888 30.792 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.583 24.399 32.960 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.205 23.981 33.614 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.439 23.592 31.893 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.657 25.121 32.362 1.00 50.00 H new ATOM 430 N ASP A 29 -2.387 27.400 33.247 1.00 50.00 N ATOM 431 CA ASP A 29 -2.361 28.562 34.182 1.00 50.00 C ATOM 432 C ASP A 29 -3.646 29.383 34.039 1.00 50.00 C ATOM 433 O ASP A 29 -3.961 30.209 34.873 1.00 50.00 O ATOM 434 CB ASP A 29 -1.147 29.387 33.755 1.00 50.00 C ATOM 435 CG ASP A 29 0.066 28.982 34.593 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.096 28.151 35.472 1.00 50.00 O ATOM 437 OD2 ASP A 29 1.138 29.511 34.344 1.00 50.00 O ATOM 0 H ASP A 29 -2.077 27.601 32.296 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.296 28.252 35.225 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.940 29.228 32.697 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.353 30.450 33.884 1.00 50.00 H new ATOM 442 N ALA A 30 -4.389 29.163 32.989 1.00 50.00 N ATOM 443 CA ALA A 30 -5.651 29.932 32.795 1.00 50.00 C ATOM 444 C ALA A 30 -6.812 29.236 33.513 1.00 50.00 C ATOM 445 O ALA A 30 -7.874 29.800 33.684 1.00 50.00 O ATOM 446 CB ALA A 30 -5.883 29.940 31.284 1.00 50.00 C ATOM 0 H ALA A 30 -4.177 28.484 32.258 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.585 30.941 33.202 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -6.797 30.489 31.059 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.039 30.421 30.789 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.978 28.915 30.925 1.00 50.00 H new ATOM 452 N GLY A 31 -6.617 28.017 33.934 1.00 50.00 N ATOM 453 CA GLY A 31 -7.710 27.290 34.639 1.00 50.00 C ATOM 454 C GLY A 31 -8.848 27.002 33.659 1.00 50.00 C ATOM 455 O GLY A 31 -10.009 27.197 33.964 1.00 50.00 O ATOM 0 H GLY A 31 -5.749 27.493 33.821 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.330 26.357 35.056 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.078 27.886 35.474 1.00 50.00 H new ATOM 459 N LEU A 32 -8.527 26.542 32.481 1.00 50.00 N ATOM 460 CA LEU A 32 -9.591 26.242 31.480 1.00 50.00 C ATOM 461 C LEU A 32 -10.459 25.076 31.962 1.00 50.00 C ATOM 462 O LEU A 32 -10.183 24.461 32.974 1.00 50.00 O ATOM 463 CB LEU A 32 -8.837 25.856 30.208 1.00 50.00 C ATOM 464 CG LEU A 32 -9.242 26.792 29.070 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.994 27.225 28.298 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.199 26.061 28.126 1.00 50.00 C ATOM 0 H LEU A 32 -7.573 26.361 32.168 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.258 27.089 31.320 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.762 25.917 30.377 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.060 24.823 29.940 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.738 27.672 29.481 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -8.282 27.893 27.486 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.312 27.745 28.971 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.498 26.346 27.886 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.489 26.728 27.314 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.703 25.182 27.715 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.088 25.752 28.676 1.00 50.00 H new ATOM 478 N ASP A 33 -11.505 24.767 31.246 1.00 50.00 N ATOM 479 CA ASP A 33 -12.389 23.640 31.662 1.00 50.00 C ATOM 480 C ASP A 33 -11.623 22.315 31.586 1.00 50.00 C ATOM 481 O ASP A 33 -11.144 21.923 30.540 1.00 50.00 O ATOM 482 CB ASP A 33 -13.546 23.654 30.663 1.00 50.00 C ATOM 483 CG ASP A 33 -14.733 22.882 31.243 1.00 50.00 C ATOM 484 OD1 ASP A 33 -15.094 23.153 32.376 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.261 22.033 30.544 1.00 50.00 O ATOM 0 H ASP A 33 -11.786 25.246 30.391 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.740 23.744 32.689 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.839 24.681 30.444 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.232 23.205 29.721 1.00 50.00 H new ATOM 490 N GLY A 34 -11.502 21.626 32.687 1.00 50.00 N ATOM 491 CA GLY A 34 -10.764 20.330 32.680 1.00 50.00 C ATOM 492 C GLY A 34 -11.220 19.480 31.492 1.00 50.00 C ATOM 493 O GLY A 34 -10.457 18.717 30.935 1.00 50.00 O ATOM 0 H GLY A 34 -11.882 21.904 33.592 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.691 20.512 32.618 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.943 19.794 33.612 1.00 50.00 H new ATOM 497 N GLU A 35 -12.459 19.604 31.102 1.00 50.00 N ATOM 498 CA GLU A 35 -12.961 18.797 29.951 1.00 50.00 C ATOM 499 C GLU A 35 -12.356 19.306 28.639 1.00 50.00 C ATOM 500 O GLU A 35 -12.479 18.680 27.605 1.00 50.00 O ATOM 501 CB GLU A 35 -14.476 19.002 29.957 1.00 50.00 C ATOM 502 CG GLU A 35 -15.100 18.145 31.060 1.00 50.00 C ATOM 503 CD GLU A 35 -15.733 16.898 30.439 1.00 50.00 C ATOM 504 OE1 GLU A 35 -15.297 16.506 29.369 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.643 16.356 31.045 1.00 50.00 O ATOM 0 H GLU A 35 -13.145 20.227 31.528 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.690 17.745 30.036 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.711 20.054 30.121 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.895 18.729 28.988 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.340 17.857 31.786 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.854 18.719 31.599 1.00 50.00 H new ATOM 512 N ASP A 36 -11.703 20.436 28.671 1.00 50.00 N ATOM 513 CA ASP A 36 -11.093 20.976 27.423 1.00 50.00 C ATOM 514 C ASP A 36 -9.586 20.707 27.410 1.00 50.00 C ATOM 515 O ASP A 36 -9.036 20.252 26.428 1.00 50.00 O ATOM 516 CB ASP A 36 -11.370 22.480 27.462 1.00 50.00 C ATOM 517 CG ASP A 36 -12.842 22.736 27.133 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.543 21.776 26.856 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.245 23.887 27.164 1.00 50.00 O ATOM 0 H ASP A 36 -11.566 21.007 29.505 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.506 20.510 26.528 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.132 22.879 28.448 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.731 22.997 26.746 1.00 50.00 H new ATOM 524 N TYR A 37 -8.916 20.986 28.494 1.00 12.50 N ATOM 525 CA TYR A 37 -7.445 20.745 28.542 1.00 12.50 C ATOM 526 C TYR A 37 -7.077 19.973 29.812 1.00 12.50 C ATOM 527 O TYR A 37 -7.672 20.154 30.856 1.00 12.50 O ATOM 528 CB TYR A 37 -6.817 22.140 28.554 1.00 12.50 C ATOM 529 CG TYR A 37 -5.385 22.053 29.028 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.412 21.458 28.216 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.032 22.570 30.280 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.086 21.379 28.658 1.00 50.00 C ATOM 533 CE2 TYR A 37 -3.705 22.491 30.721 1.00 50.00 C ATOM 534 CZ TYR A 37 -2.733 21.896 29.909 1.00 12.50 C ATOM 535 OH TYR A 37 -1.425 21.820 30.344 1.00 50.00 O ATOM 0 H TYR A 37 -9.322 21.370 29.347 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.094 20.149 27.699 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -6.853 22.574 27.555 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.387 22.800 29.208 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.684 21.060 27.249 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -5.783 23.030 30.906 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.335 20.919 28.033 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.432 22.889 31.687 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.826 21.763 29.571 1.00 50.00 H new ATOM 545 N GLY A 38 -6.100 19.113 29.729 1.00 10.00 N ATOM 546 CA GLY A 38 -5.692 18.329 30.928 1.00 10.00 C ATOM 547 C GLY A 38 -4.764 17.192 30.501 1.00 10.00 C ATOM 548 O GLY A 38 -4.638 16.885 29.332 1.00 10.00 O ATOM 0 H GLY A 38 -5.566 18.919 28.882 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.186 18.976 31.644 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.572 17.926 31.429 1.00 10.00 H new ATOM 552 N THR A 39 -4.113 16.562 31.440 1.00 10.00 N ATOM 553 CA THR A 39 -3.193 15.444 31.087 1.00 10.00 C ATOM 554 C THR A 39 -3.970 14.127 31.007 1.00 10.00 C ATOM 555 O THR A 39 -4.709 13.777 31.905 1.00 10.00 O ATOM 556 CB THR A 39 -2.172 15.400 32.225 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.806 16.726 32.580 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.932 14.629 31.772 1.00 50.00 C ATOM 0 H THR A 39 -4.178 16.773 32.436 1.00 10.00 H new ATOM 0 HA THR A 39 -2.716 15.589 30.118 1.00 10.00 H new ATOM 0 HB THR A 39 -2.610 14.900 33.089 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.357 17.155 31.822 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.206 14.599 32.584 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.215 13.612 31.500 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.490 15.126 30.908 1.00 50.00 H new ATOM 566 N MET A 40 -3.809 13.395 29.937 1.00 10.00 N ATOM 567 CA MET A 40 -4.539 12.103 29.801 1.00 10.00 C ATOM 568 C MET A 40 -3.660 10.944 30.281 1.00 10.00 C ATOM 569 O MET A 40 -2.941 10.339 29.512 1.00 10.00 O ATOM 570 CB MET A 40 -4.833 11.970 28.307 1.00 10.00 C ATOM 571 CG MET A 40 -6.346 11.907 28.088 1.00 10.00 C ATOM 572 SD MET A 40 -6.714 12.175 26.336 1.00 12.50 S ATOM 573 CE MET A 40 -6.541 10.455 25.800 1.00 50.00 C ATOM 0 H MET A 40 -3.204 13.636 29.152 1.00 10.00 H new ATOM 0 HA MET A 40 -5.450 12.079 30.400 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.412 12.817 27.766 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.360 11.071 27.911 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.730 10.938 28.407 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.844 12.663 28.695 1.00 10.00 H new ATOM 0 HE1 MET A 40 -5.685 10.367 25.131 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.389 9.816 26.670 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.445 10.145 25.276 1.00 50.00 H new ATOM 583 N GLU A 41 -3.714 10.632 31.546 1.00 10.00 N ATOM 584 CA GLU A 41 -2.881 9.512 32.072 1.00 10.00 C ATOM 585 C GLU A 41 -3.339 8.184 31.463 1.00 10.00 C ATOM 586 O GLU A 41 -4.456 7.750 31.663 1.00 10.00 O ATOM 587 CB GLU A 41 -3.114 9.519 33.584 1.00 10.00 C ATOM 588 CG GLU A 41 -1.774 9.363 34.305 1.00 10.00 C ATOM 589 CD GLU A 41 -1.179 10.747 34.577 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.468 11.654 33.815 1.00 12.50 O ATOM 591 OE2 GLU A 41 -0.443 10.874 35.541 1.00 12.50 O ATOM 0 H GLU A 41 -4.297 11.102 32.238 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.826 9.629 31.823 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -3.595 10.450 33.885 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.786 8.708 33.863 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.913 8.824 35.242 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.088 8.773 33.697 1.00 10.00 H new ATOM 598 N VAL A 42 -2.485 7.537 30.718 1.00 10.00 N ATOM 599 CA VAL A 42 -2.873 6.240 30.094 1.00 10.00 C ATOM 600 C VAL A 42 -2.008 5.105 30.648 1.00 10.00 C ATOM 601 O VAL A 42 -0.795 5.146 30.582 1.00 10.00 O ATOM 602 CB VAL A 42 -2.620 6.429 28.598 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.807 5.095 27.875 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.611 7.454 28.042 1.00 10.00 C ATOM 0 H VAL A 42 -1.536 7.850 30.514 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.910 5.976 30.301 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.601 6.784 28.443 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.626 5.231 26.809 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.103 4.364 28.272 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.825 4.738 28.028 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.433 7.591 26.975 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.629 7.097 28.197 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.478 8.405 28.557 1.00 10.00 H new ATOM 614 N ALA A 43 -2.622 4.091 31.195 1.00 10.00 N ATOM 615 CA ALA A 43 -1.834 2.955 31.752 1.00 10.00 C ATOM 616 C ALA A 43 -1.291 2.082 30.617 1.00 10.00 C ATOM 617 O ALA A 43 -2.040 1.489 29.867 1.00 10.00 O ATOM 618 CB ALA A 43 -2.826 2.166 32.607 1.00 50.00 C ATOM 0 H ALA A 43 -3.634 4.000 31.280 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.975 3.293 32.332 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -2.321 1.310 33.054 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -3.218 2.808 33.396 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.648 1.817 31.982 1.00 50.00 H new ATOM 624 N GLU A 44 0.006 2.002 30.486 1.00 10.00 N ATOM 625 CA GLU A 44 0.598 1.170 29.400 1.00 10.00 C ATOM 626 C GLU A 44 -0.163 -0.152 29.269 1.00 10.00 C ATOM 627 O GLU A 44 -0.181 -0.963 30.173 1.00 10.00 O ATOM 628 CB GLU A 44 2.041 0.917 29.838 1.00 10.00 C ATOM 629 CG GLU A 44 2.048 0.331 31.251 1.00 10.00 C ATOM 630 CD GLU A 44 2.479 -1.136 31.191 1.00 25.00 C ATOM 631 OE1 GLU A 44 3.657 -1.379 30.989 1.00 25.00 O ATOM 632 OE2 GLU A 44 1.624 -1.991 31.350 1.00 25.00 O ATOM 0 H GLU A 44 0.681 2.477 31.085 1.00 10.00 H new ATOM 0 HA GLU A 44 0.546 1.662 28.429 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.528 0.230 29.145 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.608 1.848 29.816 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.729 0.896 31.887 1.00 10.00 H new ATOM 0 HG3 GLU A 44 1.056 0.412 31.695 1.00 10.00 H new ATOM 639 N GLY A 45 -0.795 -0.371 28.149 1.00 10.00 N ATOM 640 CA GLY A 45 -1.558 -1.636 27.958 1.00 10.00 C ATOM 641 C GLY A 45 -3.049 -1.316 27.836 1.00 10.00 C ATOM 642 O GLY A 45 -3.881 -2.201 27.779 1.00 10.00 O ATOM 0 H GLY A 45 -0.816 0.272 27.357 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.211 -2.151 27.062 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.386 -2.308 28.799 1.00 10.00 H new ATOM 646 N GLU A 46 -3.396 -0.058 27.793 1.00 10.00 N ATOM 647 CA GLU A 46 -4.835 0.314 27.672 1.00 10.00 C ATOM 648 C GLU A 46 -5.045 1.226 26.461 1.00 10.00 C ATOM 649 O GLU A 46 -4.151 1.934 26.043 1.00 10.00 O ATOM 650 CB GLU A 46 -5.162 1.058 28.967 1.00 10.00 C ATOM 651 CG GLU A 46 -6.022 0.166 29.863 1.00 10.00 C ATOM 652 CD GLU A 46 -7.283 0.925 30.281 1.00 10.00 C ATOM 653 OE1 GLU A 46 -8.133 1.135 29.431 1.00 10.00 O ATOM 654 OE2 GLU A 46 -7.377 1.284 31.443 1.00 10.00 O ATOM 0 H GLU A 46 -2.746 0.727 27.836 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.476 -0.556 27.529 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.242 1.332 29.484 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -5.690 1.985 28.743 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.293 -0.747 29.332 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.457 -0.134 30.745 1.00 10.00 H new ATOM 661 N TYR A 47 -6.220 1.214 25.893 1.00 10.00 N ATOM 662 CA TYR A 47 -6.482 2.083 24.709 1.00 10.00 C ATOM 663 C TYR A 47 -6.694 3.533 25.154 1.00 10.00 C ATOM 664 O TYR A 47 -7.269 3.797 26.191 1.00 10.00 O ATOM 665 CB TYR A 47 -7.754 1.520 24.075 1.00 10.00 C ATOM 666 CG TYR A 47 -7.629 0.021 23.941 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.400 -0.552 23.595 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.744 -0.797 24.164 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.285 -1.942 23.470 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.629 -2.186 24.039 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.399 -2.758 23.693 1.00 10.00 C ATOM 672 OH TYR A 47 -7.286 -4.129 23.570 1.00 10.00 O ATOM 0 H TYR A 47 -7.008 0.642 26.196 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.648 2.087 24.007 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.620 1.770 24.688 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.916 1.971 23.096 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.540 0.078 23.424 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.692 -0.356 24.432 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.337 -2.384 23.202 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.489 -2.817 24.209 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.152 -4.547 23.759 1.00 10.00 H new ATOM 682 N ILE A 48 -6.229 4.475 24.378 1.00 10.00 N ATOM 683 CA ILE A 48 -6.398 5.908 24.756 1.00 10.00 C ATOM 684 C ILE A 48 -7.865 6.210 25.071 1.00 10.00 C ATOM 685 O ILE A 48 -8.219 6.511 26.194 1.00 10.00 O ATOM 686 CB ILE A 48 -5.939 6.696 23.529 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.431 6.520 23.342 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.259 8.179 23.729 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.151 5.973 21.940 1.00 10.00 C ATOM 0 H ILE A 48 -5.739 4.314 23.498 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.827 6.168 25.647 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.458 6.327 22.645 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.923 7.474 23.480 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.038 5.838 24.095 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.932 8.743 22.855 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.334 8.305 23.861 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.739 8.547 24.613 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.077 5.847 21.806 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.647 5.010 21.820 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.530 6.672 21.194 1.00 10.00 H new ATOM 701 N LEU A 49 -8.721 6.141 24.087 1.00 10.00 N ATOM 702 CA LEU A 49 -10.164 6.432 24.331 1.00 10.00 C ATOM 703 C LEU A 49 -10.625 5.798 25.647 1.00 10.00 C ATOM 704 O LEU A 49 -11.508 6.300 26.313 1.00 10.00 O ATOM 705 CB LEU A 49 -10.900 5.806 23.146 1.00 10.00 C ATOM 706 CG LEU A 49 -12.403 5.789 23.430 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.937 7.223 23.432 1.00 10.00 C ATOM 708 CD2 LEU A 49 -13.118 4.980 22.346 1.00 10.00 C ATOM 0 H LEU A 49 -8.484 5.896 23.126 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.358 7.501 24.414 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.697 6.373 22.238 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.540 4.791 22.975 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.584 5.332 24.403 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.008 7.212 23.634 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.428 7.800 24.204 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.756 7.680 22.459 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -14.189 4.968 22.548 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.938 5.437 21.373 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.737 3.959 22.344 1.00 10.00 H new ATOM 720 N GLU A 50 -10.032 4.700 26.031 1.00 10.00 N ATOM 721 CA GLU A 50 -10.439 4.040 27.306 1.00 10.00 C ATOM 722 C GLU A 50 -9.887 4.822 28.502 1.00 10.00 C ATOM 723 O GLU A 50 -10.622 5.239 29.378 1.00 10.00 O ATOM 724 CB GLU A 50 -9.821 2.643 27.247 1.00 10.00 C ATOM 725 CG GLU A 50 -10.790 1.630 27.859 1.00 10.00 C ATOM 726 CD GLU A 50 -11.258 2.132 29.227 1.00 50.00 C ATOM 727 OE1 GLU A 50 -10.434 2.199 30.124 1.00 50.00 O ATOM 728 OE2 GLU A 50 -12.432 2.439 29.354 1.00 50.00 O ATOM 0 H GLU A 50 -9.285 4.232 25.519 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.522 3.999 27.423 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.602 2.374 26.214 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.875 2.629 27.788 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -11.646 1.486 27.200 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.302 0.661 27.963 1.00 10.00 H new ATOM 735 N ALA A 51 -8.599 5.026 28.545 1.00 10.00 N ATOM 736 CA ALA A 51 -8.001 5.782 29.682 1.00 10.00 C ATOM 737 C ALA A 51 -8.643 7.164 29.787 1.00 10.00 C ATOM 738 O ALA A 51 -8.866 7.679 30.865 1.00 10.00 O ATOM 739 CB ALA A 51 -6.515 5.902 29.343 1.00 12.50 C ATOM 0 H ALA A 51 -7.935 4.702 27.842 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.158 5.284 30.639 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.004 6.449 30.136 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.081 4.906 29.251 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.399 6.437 28.400 1.00 12.50 H new ATOM 745 N ALA A 52 -8.941 7.767 28.672 1.00 10.00 N ATOM 746 CA ALA A 52 -9.572 9.117 28.698 1.00 10.00 C ATOM 747 C ALA A 52 -11.055 8.995 29.054 1.00 10.00 C ATOM 748 O ALA A 52 -11.667 9.927 29.537 1.00 10.00 O ATOM 749 CB ALA A 52 -9.397 9.664 27.283 1.00 10.00 C ATOM 0 H ALA A 52 -8.775 7.384 27.741 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.121 9.773 29.442 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.837 10.659 27.221 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.335 9.722 27.044 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.893 9.002 26.573 1.00 10.00 H new ATOM 755 N GLU A 53 -11.636 7.850 28.824 1.00 10.00 N ATOM 756 CA GLU A 53 -13.078 7.666 29.155 1.00 10.00 C ATOM 757 C GLU A 53 -13.270 7.693 30.670 1.00 10.00 C ATOM 758 O GLU A 53 -14.213 8.264 31.181 1.00 10.00 O ATOM 759 CB GLU A 53 -13.443 6.292 28.592 1.00 10.00 C ATOM 760 CG GLU A 53 -14.380 6.464 27.395 1.00 10.00 C ATOM 761 CD GLU A 53 -15.818 6.620 27.892 1.00 10.00 C ATOM 762 OE1 GLU A 53 -16.071 7.562 28.625 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.642 5.797 27.531 1.00 10.00 O ATOM 0 H GLU A 53 -11.175 7.034 28.421 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.705 8.454 28.737 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -12.541 5.760 28.288 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.925 5.688 29.361 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -14.088 7.338 26.814 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -14.304 5.601 26.733 1.00 10.00 H new ATOM 770 N ALA A 54 -12.375 7.083 31.391 1.00 10.00 N ATOM 771 CA ALA A 54 -12.489 7.067 32.878 1.00 10.00 C ATOM 772 C ALA A 54 -12.121 8.439 33.452 1.00 10.00 C ATOM 773 O ALA A 54 -12.247 8.682 34.635 1.00 10.00 O ATOM 774 CB ALA A 54 -11.489 6.008 33.339 1.00 50.00 C ATOM 0 H ALA A 54 -11.564 6.592 31.015 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.502 6.845 33.213 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.512 5.935 34.426 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.754 5.044 32.905 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.487 6.289 33.015 1.00 50.00 H new ATOM 780 N GLN A 55 -11.665 9.336 32.621 1.00 10.00 N ATOM 781 CA GLN A 55 -11.288 10.690 33.117 1.00 10.00 C ATOM 782 C GLN A 55 -12.418 11.686 32.847 1.00 10.00 C ATOM 783 O GLN A 55 -12.561 12.679 33.534 1.00 10.00 O ATOM 784 CB GLN A 55 -10.039 11.068 32.322 1.00 10.00 C ATOM 785 CG GLN A 55 -8.792 10.701 33.128 1.00 10.00 C ATOM 786 CD GLN A 55 -8.885 9.239 33.569 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.712 8.890 34.388 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.065 8.362 33.057 1.00 10.00 N ATOM 0 H GLN A 55 -11.537 9.190 31.620 1.00 10.00 H new ATOM 0 HA GLN A 55 -11.106 10.701 34.192 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.033 10.547 31.365 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.043 12.136 32.104 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -7.897 10.854 32.525 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.704 11.350 33.999 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.370 8.654 32.369 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.119 7.385 33.344 1.00 10.00 H new ATOM 797 N GLY A 56 -13.222 11.430 31.853 1.00 10.00 N ATOM 798 CA GLY A 56 -14.340 12.363 31.541 1.00 10.00 C ATOM 799 C GLY A 56 -14.049 13.085 30.223 1.00 10.00 C ATOM 800 O GLY A 56 -14.544 14.167 29.976 1.00 10.00 O ATOM 0 H GLY A 56 -13.153 10.615 31.243 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.278 11.812 31.467 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -14.459 13.088 32.347 1.00 10.00 H new ATOM 804 N TYR A 57 -13.251 12.495 29.375 1.00 10.00 N ATOM 805 CA TYR A 57 -12.931 13.150 28.073 1.00 10.00 C ATOM 806 C TYR A 57 -13.869 12.636 26.978 1.00 10.00 C ATOM 807 O TYR A 57 -13.869 11.466 26.648 1.00 10.00 O ATOM 808 CB TYR A 57 -11.488 12.747 27.765 1.00 10.00 C ATOM 809 CG TYR A 57 -10.583 13.175 28.895 1.00 10.00 C ATOM 810 CD1 TYR A 57 -10.869 14.334 29.627 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.455 12.411 29.209 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.024 14.726 30.673 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.611 12.801 30.252 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.894 13.959 30.986 1.00 12.50 C ATOM 815 OH TYR A 57 -8.062 14.344 32.016 1.00 12.50 O ATOM 0 H TYR A 57 -12.807 11.589 29.526 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.052 14.232 28.119 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.424 11.668 27.625 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.163 13.209 26.833 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -11.740 14.925 29.385 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.235 11.517 28.644 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.243 15.620 31.238 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.740 12.209 30.492 1.00 12.50 H new ATOM 0 HH TYR A 57 -7.880 15.305 31.948 1.00 12.50 H new ATOM 825 N ASP A 58 -14.662 13.499 26.405 1.00 10.00 N ATOM 826 CA ASP A 58 -15.590 13.053 25.325 1.00 10.00 C ATOM 827 C ASP A 58 -14.912 13.208 23.961 1.00 10.00 C ATOM 828 O ASP A 58 -13.944 13.928 23.819 1.00 10.00 O ATOM 829 CB ASP A 58 -16.802 13.979 25.431 1.00 10.00 C ATOM 830 CG ASP A 58 -16.382 15.410 25.092 1.00 10.00 C ATOM 831 OD1 ASP A 58 -16.411 15.754 23.922 1.00 10.00 O ATOM 832 OD2 ASP A 58 -16.036 16.138 26.008 1.00 10.00 O ATOM 0 H ASP A 58 -14.708 14.491 26.636 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.873 12.005 25.427 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.586 13.648 24.750 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.216 13.939 26.438 1.00 10.00 H new ATOM 837 N TRP A 59 -15.408 12.538 22.957 1.00 10.00 N ATOM 838 CA TRP A 59 -14.780 12.654 21.610 1.00 10.00 C ATOM 839 C TRP A 59 -15.854 12.761 20.524 1.00 10.00 C ATOM 840 O TRP A 59 -16.993 12.394 20.735 1.00 10.00 O ATOM 841 CB TRP A 59 -13.962 11.373 21.447 1.00 10.00 C ATOM 842 CG TRP A 59 -12.877 11.357 22.475 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.959 10.752 23.681 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.556 11.969 22.412 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.773 10.954 24.364 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.876 11.697 23.622 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.887 12.725 21.432 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.580 12.159 23.854 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.583 13.191 21.661 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.931 12.909 22.870 1.00 50.00 C ATOM 0 H TRP A 59 -16.217 11.918 23.010 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.160 13.546 21.518 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.603 10.499 21.562 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.534 11.324 20.446 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.811 10.201 24.051 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.584 10.598 25.301 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -11.380 12.948 20.497 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.082 11.939 24.787 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -9.079 13.770 20.902 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.928 13.271 23.040 1.00 50.00 H new ATOM 861 N PRO A 60 -15.446 13.274 19.398 1.00 10.00 N ATOM 862 CA PRO A 60 -16.374 13.452 18.254 1.00 10.00 C ATOM 863 C PRO A 60 -16.715 12.102 17.614 1.00 10.00 C ATOM 864 O PRO A 60 -15.913 11.191 17.595 1.00 10.00 O ATOM 865 CB PRO A 60 -15.585 14.333 17.289 1.00 10.00 C ATOM 866 CG PRO A 60 -14.146 14.087 17.625 1.00 10.00 C ATOM 867 CD PRO A 60 -14.087 13.733 19.087 1.00 10.00 C ATOM 0 HA PRO A 60 -17.328 13.892 18.543 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.798 14.072 16.252 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.845 15.384 17.413 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.741 13.279 17.016 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.545 14.973 17.419 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.349 12.954 19.279 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.808 14.594 19.695 1.00 10.00 H new ATOM 1011 N ALA A 72 -11.412 12.070 15.671 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.537 13.071 14.996 1.00 10.00 C ATOM 1013 C ALA A 72 -9.691 13.810 16.034 1.00 10.00 C ATOM 1014 O ALA A 72 -10.208 14.492 16.898 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.498 14.035 14.300 1.00 10.00 C ATOM 0 HA ALA A 72 -9.846 12.609 14.291 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -10.928 14.804 13.779 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.108 13.486 13.582 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.145 14.503 15.042 1.00 10.00 H new ATOM 1021 N SER A 73 -8.395 13.677 15.964 1.00 10.00 N ATOM 1022 CA SER A 73 -7.524 14.370 16.956 1.00 10.00 C ATOM 1023 C SER A 73 -6.270 14.922 16.272 1.00 10.00 C ATOM 1024 O SER A 73 -6.040 14.700 15.099 1.00 10.00 O ATOM 1025 CB SER A 73 -7.147 13.292 17.972 1.00 50.00 C ATOM 1026 OG SER A 73 -6.483 12.227 17.309 1.00 50.00 O ATOM 0 H SER A 73 -7.902 13.120 15.265 1.00 10.00 H new ATOM 0 HA SER A 73 -8.027 15.216 17.424 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.501 13.713 18.742 1.00 50.00 H new ATOM 0 HB3 SER A 73 -8.041 12.921 18.473 1.00 50.00 H new ATOM 0 HG SER A 73 -7.146 11.636 16.894 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.457 15.639 16.998 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.216 16.205 16.392 1.00 10.00 C ATOM 1034 C ILE A 74 -3.047 16.083 17.372 1.00 10.00 C ATOM 1035 O ILE A 74 -2.736 17.005 18.101 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.540 17.674 16.125 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.915 17.784 15.463 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.479 18.269 15.197 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.879 17.096 14.096 1.00 10.00 C ATOM 0 H ILE A 74 -5.597 15.858 17.984 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.924 15.680 15.482 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.547 18.220 17.068 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.673 17.321 16.095 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.192 18.832 15.348 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.709 19.317 15.006 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.499 18.193 15.669 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.472 17.721 14.255 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.858 17.174 13.624 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.132 17.579 13.465 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.621 16.045 14.224 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.396 14.951 17.397 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.249 14.772 18.332 1.00 10.00 C ATOM 1053 C VAL A 75 -0.257 15.929 18.184 1.00 10.00 C ATOM 1054 O VAL A 75 0.347 16.111 17.147 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.601 13.450 17.915 1.00 50.00 C ATOM 1056 CG1 VAL A 75 0.013 13.598 16.522 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.494 13.079 18.918 1.00 50.00 C ATOM 0 H VAL A 75 -2.609 14.144 16.811 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.565 14.760 19.375 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.358 12.666 17.896 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.474 12.656 16.226 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.766 13.861 15.807 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.769 14.383 16.539 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.956 12.137 18.621 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.250 13.864 18.938 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.057 12.972 19.911 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.086 16.713 19.214 1.00 10.00 N ATOM 1068 CA LYS A 76 0.867 17.858 19.128 1.00 10.00 C ATOM 1069 C LYS A 76 2.294 17.380 19.405 1.00 10.00 C ATOM 1070 O LYS A 76 3.256 18.059 19.105 1.00 10.00 O ATOM 1071 CB LYS A 76 0.409 18.836 20.210 1.00 25.00 C ATOM 1072 CG LYS A 76 0.205 20.221 19.593 1.00 25.00 C ATOM 1073 CD LYS A 76 -1.104 20.240 18.799 1.00 50.00 C ATOM 1074 CE LYS A 76 -0.794 20.278 17.302 1.00 50.00 C ATOM 1075 NZ LYS A 76 -0.502 21.710 17.011 1.00 50.00 N ATOM 0 H LYS A 76 -0.564 16.611 20.110 1.00 10.00 H new ATOM 0 HA LYS A 76 0.873 18.317 18.140 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.520 18.487 20.661 1.00 25.00 H new ATOM 0 HB3 LYS A 76 1.151 18.887 21.007 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.179 20.979 20.376 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.042 20.466 18.940 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -1.698 19.357 19.036 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -1.699 21.109 19.080 1.00 50.00 H new ATOM 0 HE2 LYS A 76 0.058 19.643 17.058 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.638 19.919 16.714 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -0.613 21.887 15.992 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -1.162 22.314 17.541 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 0.474 21.930 17.296 1.00 50.00 H new ATOM 1089 N GLU A 77 2.438 16.216 19.975 1.00 10.00 N ATOM 1090 CA GLU A 77 3.803 15.693 20.271 1.00 10.00 C ATOM 1091 C GLU A 77 3.705 14.326 20.951 1.00 10.00 C ATOM 1092 O GLU A 77 2.713 14.002 21.575 1.00 10.00 O ATOM 1093 CB GLU A 77 4.423 16.720 21.219 1.00 10.00 C ATOM 1094 CG GLU A 77 5.876 16.977 20.812 1.00 10.00 C ATOM 1095 CD GLU A 77 6.104 18.483 20.664 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.047 19.172 21.669 1.00 25.00 O ATOM 1097 OE2 GLU A 77 6.332 18.919 19.549 1.00 25.00 O ATOM 0 H GLU A 77 1.670 15.603 20.249 1.00 10.00 H new ATOM 0 HA GLU A 77 4.400 15.559 19.369 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.855 17.650 21.187 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.380 16.356 22.245 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.553 16.568 21.562 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.097 16.471 19.872 1.00 10.00 H new ATOM 1104 N GLY A 78 4.723 13.520 20.834 1.00 10.00 N ATOM 1105 CA GLY A 78 4.685 12.175 21.473 1.00 10.00 C ATOM 1106 C GLY A 78 4.510 11.105 20.393 1.00 10.00 C ATOM 1107 O GLY A 78 4.827 11.317 19.240 1.00 10.00 O ATOM 0 H GLY A 78 5.580 13.734 20.324 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.605 11.998 22.030 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.864 12.123 22.189 1.00 10.00 H new ATOM 1111 N GLU A 79 4.007 9.958 20.757 1.00 10.00 N ATOM 1112 CA GLU A 79 3.813 8.876 19.750 1.00 10.00 C ATOM 1113 C GLU A 79 2.840 7.823 20.285 1.00 10.00 C ATOM 1114 O GLU A 79 2.704 7.638 21.478 1.00 10.00 O ATOM 1115 CB GLU A 79 5.202 8.271 19.547 1.00 25.00 C ATOM 1116 CG GLU A 79 5.140 7.201 18.454 1.00 25.00 C ATOM 1117 CD GLU A 79 6.074 7.591 17.306 1.00 50.00 C ATOM 1118 OE1 GLU A 79 5.671 8.402 16.489 1.00 50.00 O ATOM 1119 OE2 GLU A 79 7.178 7.072 17.265 1.00 50.00 O ATOM 0 H GLU A 79 3.722 9.723 21.708 1.00 10.00 H new ATOM 0 HA GLU A 79 3.392 9.250 18.817 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.912 9.050 19.268 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.559 7.833 20.479 1.00 25.00 H new ATOM 0 HG2 GLU A 79 5.431 6.233 18.861 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.119 7.099 18.088 1.00 25.00 H new ATOM 1126 N ILE A 80 2.164 7.130 19.412 1.00 10.00 N ATOM 1127 CA ILE A 80 1.201 6.089 19.870 1.00 10.00 C ATOM 1128 C ILE A 80 1.333 4.831 19.007 1.00 10.00 C ATOM 1129 O ILE A 80 1.526 4.906 17.809 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.179 6.723 19.691 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.389 7.800 20.757 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.257 5.648 19.835 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -0.521 9.166 20.080 1.00 50.00 C ATOM 0 H ILE A 80 2.236 7.239 18.400 1.00 10.00 H new ATOM 0 HA ILE A 80 1.379 5.785 20.901 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.245 7.174 18.701 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -1.285 7.582 21.339 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.449 7.806 21.453 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.241 6.100 19.707 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.109 4.880 19.075 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.191 5.197 20.825 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -0.671 9.935 20.838 1.00 50.00 H new ATOM 0 HD12 ILE A 80 0.387 9.383 19.518 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -1.374 9.155 19.401 1.00 50.00 H new ATOM 1145 N ASP A 81 1.231 3.676 19.605 1.00 10.00 N ATOM 1146 CA ASP A 81 1.351 2.417 18.817 1.00 10.00 C ATOM 1147 C ASP A 81 -0.016 1.740 18.688 1.00 10.00 C ATOM 1148 O ASP A 81 -0.838 1.803 19.581 1.00 10.00 O ATOM 1149 CB ASP A 81 2.309 1.538 19.620 1.00 10.00 C ATOM 1150 CG ASP A 81 3.751 1.865 19.229 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.949 2.864 18.556 1.00 10.00 O ATOM 1152 OD2 ASP A 81 4.633 1.113 19.607 1.00 10.00 O ATOM 0 H ASP A 81 1.070 3.550 20.604 1.00 10.00 H new ATOM 0 HA ASP A 81 1.713 2.597 17.805 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.164 1.704 20.687 1.00 10.00 H new ATOM 0 HB3 ASP A 81 2.099 0.485 19.430 1.00 10.00 H new ATOM 1157 N MET A 82 -0.265 1.093 17.583 1.00 12.50 N ATOM 1158 CA MET A 82 -1.578 0.413 17.398 1.00 12.50 C ATOM 1159 C MET A 82 -1.455 -0.703 16.356 1.00 12.50 C ATOM 1160 O MET A 82 -0.375 -1.020 15.898 1.00 12.50 O ATOM 1161 CB MET A 82 -2.525 1.505 16.900 1.00 12.50 C ATOM 1162 CG MET A 82 -2.010 2.063 15.572 1.00 12.50 C ATOM 1163 SD MET A 82 -3.052 3.449 15.054 1.00 12.50 S ATOM 1164 CE MET A 82 -4.648 2.694 15.453 1.00 50.00 C ATOM 0 H MET A 82 0.383 1.006 16.801 1.00 12.50 H new ATOM 0 HA MET A 82 -1.935 -0.049 18.319 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.528 1.099 16.771 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.596 2.303 17.639 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.976 2.392 15.680 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.018 1.283 14.810 1.00 12.50 H new ATOM 0 HE1 MET A 82 -5.427 3.144 14.838 1.00 50.00 H new ATOM 0 HE2 MET A 82 -4.603 1.623 15.256 1.00 50.00 H new ATOM 0 HE3 MET A 82 -4.876 2.860 16.506 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.552 -1.298 15.980 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.498 -2.392 14.969 1.00 50.00 C ATOM 1176 C ASP A 83 -2.006 -1.846 13.626 1.00 50.00 C ATOM 1177 O ASP A 83 -2.113 -0.668 13.348 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.937 -2.891 14.851 1.00 50.00 C ATOM 1179 CG ASP A 83 -4.159 -4.037 15.839 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.436 -4.095 16.821 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.048 -4.838 15.600 1.00 50.00 O ATOM 0 H ASP A 83 -3.484 -1.075 16.329 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.813 -3.189 15.257 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.634 -2.078 15.057 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.134 -3.230 13.834 1.00 50.00 H new ATOM 1275 N SER A 89 -2.566 8.721 5.875 1.00 12.50 N ATOM 1276 CA SER A 89 -1.322 9.090 5.140 1.00 12.50 C ATOM 1277 C SER A 89 -0.272 9.609 6.125 1.00 12.50 C ATOM 1278 O SER A 89 -0.497 10.566 6.838 1.00 12.50 O ATOM 1279 CB SER A 89 -1.746 10.195 4.173 1.00 12.50 C ATOM 1280 OG SER A 89 -1.884 9.653 2.867 1.00 12.50 O ATOM 0 HA SER A 89 -0.879 8.243 4.616 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.689 10.635 4.497 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.005 10.995 4.170 1.00 12.50 H new ATOM 0 HG SER A 89 -2.158 10.360 2.246 1.00 12.50 H new ATOM 1286 N ASP A 90 0.871 8.981 6.174 1.00 10.00 N ATOM 1287 CA ASP A 90 1.932 9.435 7.119 1.00 10.00 C ATOM 1288 C ASP A 90 2.024 10.962 7.119 1.00 10.00 C ATOM 1289 O ASP A 90 2.137 11.588 8.154 1.00 10.00 O ATOM 1290 CB ASP A 90 3.228 8.816 6.591 1.00 10.00 C ATOM 1291 CG ASP A 90 3.590 9.456 5.250 1.00 10.00 C ATOM 1292 OD1 ASP A 90 2.693 9.639 4.442 1.00 10.00 O ATOM 1293 OD2 ASP A 90 4.757 9.752 5.052 1.00 10.00 O ATOM 0 H ASP A 90 1.116 8.174 5.601 1.00 10.00 H new ATOM 0 HA ASP A 90 1.727 9.132 8.146 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.035 8.968 7.308 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.107 7.739 6.471 1.00 10.00 H new ATOM 1298 N GLU A 91 1.970 11.565 5.966 1.00 12.50 N ATOM 1299 CA GLU A 91 2.049 13.051 5.899 1.00 12.50 C ATOM 1300 C GLU A 91 0.941 13.671 6.751 1.00 12.50 C ATOM 1301 O GLU A 91 1.089 14.747 7.294 1.00 12.50 O ATOM 1302 CB GLU A 91 1.848 13.393 4.423 1.00 12.50 C ATOM 1303 CG GLU A 91 2.859 14.462 4.005 1.00 12.50 C ATOM 1304 CD GLU A 91 4.079 13.791 3.369 1.00 50.00 C ATOM 1305 OE1 GLU A 91 4.227 12.592 3.539 1.00 50.00 O ATOM 1306 OE2 GLU A 91 4.845 14.489 2.724 1.00 50.00 O ATOM 0 H GLU A 91 1.875 11.094 5.066 1.00 12.50 H new ATOM 0 HA GLU A 91 2.996 13.435 6.278 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.974 12.500 3.811 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.833 13.753 4.257 1.00 12.50 H new ATOM 0 HG2 GLU A 91 2.401 15.154 3.298 1.00 12.50 H new ATOM 0 HG3 GLU A 91 3.164 15.048 4.872 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.166 12.993 6.878 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.282 13.541 7.701 1.00 10.00 C ATOM 1315 C GLU A 92 -0.908 13.491 9.185 1.00 10.00 C ATOM 1316 O GLU A 92 -1.211 14.391 9.943 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.474 12.629 7.414 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.632 12.998 8.344 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.956 12.576 7.703 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -5.415 13.281 6.819 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.488 11.555 8.107 1.00 50.00 O ATOM 0 H GLU A 92 -0.346 12.085 6.449 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.504 14.581 7.462 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.782 12.731 6.373 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.192 11.586 7.562 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -3.509 12.505 9.308 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -3.633 14.072 8.533 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.247 12.446 9.604 1.00 10.00 N ATOM 1329 CA VAL A 93 0.150 12.343 11.037 1.00 10.00 C ATOM 1330 C VAL A 93 1.313 13.295 11.324 1.00 10.00 C ATOM 1331 O VAL A 93 1.496 13.749 12.437 1.00 10.00 O ATOM 1332 CB VAL A 93 0.589 10.891 11.226 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.900 10.641 12.703 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.533 9.955 10.775 1.00 10.00 C ATOM 0 H VAL A 93 0.035 11.661 9.017 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.662 12.612 11.713 1.00 10.00 H new ATOM 0 HB VAL A 93 1.481 10.701 10.629 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.213 9.606 12.839 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.701 11.307 13.024 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.008 10.831 13.300 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -0.220 8.920 10.910 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.426 10.144 11.370 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.754 10.133 9.723 1.00 10.00 H new ATOM 1344 N GLU A 94 2.098 13.600 10.328 1.00 12.50 N ATOM 1345 CA GLU A 94 3.248 14.525 10.541 1.00 12.50 C ATOM 1346 C GLU A 94 2.797 15.977 10.358 1.00 12.50 C ATOM 1347 O GLU A 94 3.145 16.846 11.132 1.00 12.50 O ATOM 1348 CB GLU A 94 4.268 14.139 9.470 1.00 12.50 C ATOM 1349 CG GLU A 94 4.623 12.658 9.614 1.00 12.50 C ATOM 1350 CD GLU A 94 6.105 12.455 9.293 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.877 13.362 9.556 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.442 11.396 8.790 1.00 12.50 O ATOM 0 H GLU A 94 1.993 13.249 9.376 1.00 12.50 H new ATOM 0 HA GLU A 94 3.664 14.446 11.546 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.860 14.331 8.478 1.00 12.50 H new ATOM 0 HB3 GLU A 94 5.165 14.750 9.570 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.410 12.319 10.628 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.009 12.059 8.942 1.00 12.50 H new ATOM 1359 N GLU A 95 2.027 16.244 9.338 1.00 12.50 N ATOM 1360 CA GLU A 95 1.558 17.641 9.107 1.00 12.50 C ATOM 1361 C GLU A 95 0.205 17.870 9.790 1.00 12.50 C ATOM 1362 O GLU A 95 0.006 18.855 10.473 1.00 12.50 O ATOM 1363 CB GLU A 95 1.421 17.767 7.589 1.00 25.00 C ATOM 1364 CG GLU A 95 1.926 19.141 7.144 1.00 25.00 C ATOM 1365 CD GLU A 95 2.415 19.062 5.697 1.00 50.00 C ATOM 1366 OE1 GLU A 95 1.752 18.414 4.903 1.00 50.00 O ATOM 1367 OE2 GLU A 95 3.443 19.650 5.407 1.00 50.00 O ATOM 0 H GLU A 95 1.703 15.558 8.656 1.00 12.50 H new ATOM 0 HA GLU A 95 2.247 18.379 9.518 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.992 16.980 7.095 1.00 25.00 H new ATOM 0 HB3 GLU A 95 0.379 17.638 7.295 1.00 25.00 H new ATOM 0 HG2 GLU A 95 1.128 19.878 7.229 1.00 25.00 H new ATOM 0 HG3 GLU A 95 2.736 19.471 7.795 1.00 25.00 H new ATOM 1374 N LYS A 96 -0.726 16.972 9.610 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.063 17.147 10.248 1.00 25.00 C ATOM 1376 C LYS A 96 -2.029 16.663 11.700 1.00 25.00 C ATOM 1377 O LYS A 96 -2.911 16.958 12.483 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.016 16.289 9.415 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.287 17.087 9.118 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.012 16.470 7.920 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.524 16.569 8.134 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.117 16.465 6.769 1.00 25.00 N ATOM 0 H LYS A 96 -0.619 16.126 9.050 1.00 25.00 H new ATOM 0 HA LYS A 96 -2.373 18.192 10.273 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -2.535 15.990 8.484 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.265 15.374 9.953 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -4.940 17.088 9.990 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.035 18.126 8.908 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.729 16.988 7.004 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -4.718 15.427 7.801 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -6.884 15.770 8.782 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -6.794 17.511 8.610 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -8.153 16.525 6.835 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -6.762 17.243 6.176 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.849 15.555 6.343 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.020 15.922 12.067 1.00 10.00 N ATOM 1397 CA ASP A 97 -0.931 15.422 13.471 1.00 10.00 C ATOM 1398 C ASP A 97 -2.147 14.554 13.807 1.00 10.00 C ATOM 1399 O ASP A 97 -2.418 14.270 14.958 1.00 10.00 O ATOM 1400 CB ASP A 97 -0.918 16.682 14.337 1.00 50.00 C ATOM 1401 CG ASP A 97 0.522 17.006 14.743 1.00 50.00 C ATOM 1402 OD1 ASP A 97 1.364 16.134 14.611 1.00 50.00 O ATOM 1403 OD2 ASP A 97 0.757 18.120 15.181 1.00 50.00 O ATOM 0 H ASP A 97 -0.253 15.640 11.457 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.048 14.803 13.632 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.349 17.519 13.787 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.533 16.533 15.225 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.884 14.129 12.818 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.079 13.280 13.092 1.00 10.00 C ATOM 1410 C VAL A 98 -3.659 11.824 13.317 1.00 10.00 C ATOM 1411 O VAL A 98 -2.660 11.369 12.796 1.00 10.00 O ATOM 1412 CB VAL A 98 -4.950 13.403 11.841 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.104 12.401 11.922 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.513 14.823 11.750 1.00 50.00 C ATOM 0 H VAL A 98 -2.711 14.332 11.833 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.610 13.596 13.990 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.348 13.193 10.957 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.725 12.488 11.030 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -5.704 11.389 11.987 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -6.707 12.611 12.806 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.134 14.912 10.859 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.115 15.033 12.634 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -4.692 15.537 11.692 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.414 11.092 14.091 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.058 9.666 14.351 1.00 10.00 C ATOM 1426 C ARG A 99 -5.234 8.935 15.007 1.00 10.00 C ATOM 1427 O ARG A 99 -6.115 9.546 15.578 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.863 9.725 15.305 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.328 8.312 15.542 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.403 8.317 16.761 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.460 9.445 16.519 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.817 9.212 16.382 1.00 50.00 C ATOM 1433 NH1 ARG A 99 1.669 9.736 17.221 1.00 50.00 N ATOM 1434 NH2 ARG A 99 1.242 8.458 15.406 1.00 50.00 N ATOM 0 H ARG A 99 -5.262 11.419 14.555 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.823 9.126 13.434 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.080 10.356 14.885 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.162 10.176 16.251 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -3.155 7.620 15.702 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.787 7.964 14.662 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.965 8.462 17.683 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.871 7.371 16.858 1.00 50.00 H new ATOM 0 HE ARG A 99 -0.813 10.400 16.460 1.00 50.00 H new ATOM 0 HH11 ARG A 99 1.337 10.327 17.983 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.667 9.554 17.115 1.00 50.00 H new ATOM 0 HH21 ARG A 99 0.576 8.050 14.749 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.240 8.276 15.299 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.253 7.632 14.930 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.371 6.863 15.548 1.00 10.00 C ATOM 1450 C LEU A 100 -5.987 6.409 16.960 1.00 10.00 C ATOM 1451 O LEU A 100 -5.237 5.470 17.138 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.573 5.655 14.632 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.854 5.839 13.817 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -7.711 7.065 12.913 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -8.094 4.596 12.958 1.00 10.00 C ATOM 0 H LEU A 100 -4.542 7.066 14.466 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.278 7.459 15.644 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.718 5.544 13.965 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.635 4.742 15.225 1.00 10.00 H new ATOM 0 HG LEU A 100 -8.698 5.982 14.492 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -8.624 7.197 12.332 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -7.540 7.950 13.525 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -6.868 6.922 12.237 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -9.007 4.726 12.377 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -7.251 4.452 12.282 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -8.196 3.723 13.602 1.00 10.00 H new ATOM 1467 N THR A 101 -6.494 7.070 17.965 1.00 10.00 N ATOM 1468 CA THR A 101 -6.156 6.678 19.365 1.00 10.00 C ATOM 1469 C THR A 101 -7.367 6.025 20.040 1.00 10.00 C ATOM 1470 O THR A 101 -7.878 6.514 21.027 1.00 10.00 O ATOM 1471 CB THR A 101 -5.794 7.989 20.065 1.00 10.00 C ATOM 1472 OG1 THR A 101 -6.915 8.862 20.038 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.616 8.646 19.345 1.00 10.00 C ATOM 0 H THR A 101 -7.128 7.865 17.878 1.00 10.00 H new ATOM 0 HA THR A 101 -5.342 5.954 19.407 1.00 10.00 H new ATOM 0 HB THR A 101 -5.516 7.785 21.099 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.668 8.441 20.503 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.359 9.580 19.845 1.00 10.00 H new ATOM 0 HG22 THR A 101 -3.757 7.975 19.366 1.00 10.00 H new ATOM 0 HG23 THR A 101 -4.891 8.852 18.310 1.00 10.00 H new ATOM 1481 N CYS A 102 -7.828 4.922 19.515 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.005 4.243 20.126 1.00 10.00 C ATOM 1483 C CYS A 102 -8.678 2.778 20.432 1.00 10.00 C ATOM 1484 O CYS A 102 -9.214 2.191 21.351 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.106 4.335 19.070 1.00 10.00 C ATOM 1486 SG CYS A 102 -10.442 6.074 18.694 1.00 10.00 S ATOM 0 H CYS A 102 -7.441 4.463 18.691 1.00 10.00 H new ATOM 0 HA CYS A 102 -9.301 4.704 21.069 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.801 3.809 18.165 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.012 3.849 19.431 1.00 10.00 H new ATOM 0 HG CYS A 102 -11.377 6.151 17.794 1.00 10.00 H new ATOM 1491 N ILE A 103 -7.804 2.181 19.667 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.448 0.754 19.914 1.00 10.00 C ATOM 1493 C ILE A 103 -5.939 0.613 20.128 1.00 10.00 C ATOM 1494 O ILE A 103 -5.398 -0.474 20.104 1.00 10.00 O ATOM 1495 CB ILE A 103 -7.882 0.013 18.649 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -7.156 0.602 17.437 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -9.393 0.164 18.463 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -7.512 -0.206 16.188 1.00 50.00 C ATOM 0 H ILE A 103 -7.322 2.619 18.882 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.932 0.357 20.806 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.632 -1.044 18.743 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -7.440 1.646 17.301 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -6.078 0.583 17.600 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -9.703 -0.364 17.561 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -9.910 -0.257 19.326 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -9.644 1.220 18.369 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -6.995 0.213 15.324 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -7.206 -1.243 16.326 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -8.589 -0.164 16.022 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.255 1.705 20.338 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.782 1.630 20.552 1.00 10.00 C ATOM 1512 C GLY A 104 -3.414 2.391 21.827 1.00 10.00 C ATOM 1513 O GLY A 104 -4.235 3.065 22.418 1.00 10.00 O ATOM 0 H GLY A 104 -5.652 2.644 20.371 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.468 0.589 20.633 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.257 2.056 19.697 1.00 10.00 H new ATOM 1517 N SER A 105 -2.186 2.289 22.253 1.00 10.00 N ATOM 1518 CA SER A 105 -1.764 3.006 23.491 1.00 10.00 C ATOM 1519 C SER A 105 -0.563 3.909 23.193 1.00 10.00 C ATOM 1520 O SER A 105 0.111 3.739 22.195 1.00 10.00 O ATOM 1521 CB SER A 105 -1.378 1.901 24.476 1.00 10.00 C ATOM 1522 OG SER A 105 -0.102 2.184 25.033 1.00 10.00 O ATOM 0 H SER A 105 -1.456 1.741 21.798 1.00 10.00 H new ATOM 0 HA SER A 105 -2.551 3.647 23.889 1.00 10.00 H new ATOM 0 HB2 SER A 105 -2.124 1.829 25.268 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.358 0.937 23.968 1.00 10.00 H new ATOM 0 HG SER A 105 0.143 1.476 25.665 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.335 4.843 24.076 1.00 10.00 N ATOM 1529 CA PRO A 106 0.796 5.786 23.910 1.00 10.00 C ATOM 1530 C PRO A 106 2.125 5.079 24.196 1.00 10.00 C ATOM 1531 O PRO A 106 2.216 4.238 25.068 1.00 10.00 O ATOM 1532 CB PRO A 106 0.519 6.865 24.954 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.322 6.191 25.993 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.103 5.106 25.299 1.00 10.00 C ATOM 0 HA PRO A 106 0.875 6.188 22.900 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.446 7.247 25.383 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.003 7.715 24.514 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.303 5.771 26.781 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.994 6.906 26.467 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.184 4.213 25.919 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.119 5.429 25.071 1.00 10.00 H new ATOM 1542 N ALA A 107 3.155 5.412 23.466 1.00 10.00 N ATOM 1543 CA ALA A 107 4.474 4.757 23.697 1.00 10.00 C ATOM 1544 C ALA A 107 5.476 5.769 24.264 1.00 10.00 C ATOM 1545 O ALA A 107 6.472 5.403 24.855 1.00 10.00 O ATOM 1546 CB ALA A 107 4.922 4.269 22.319 1.00 50.00 C ATOM 0 H ALA A 107 3.140 6.108 22.721 1.00 10.00 H new ATOM 0 HA ALA A 107 4.409 3.940 24.416 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.889 3.774 22.405 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.188 3.566 21.926 1.00 50.00 H new ATOM 0 HB3 ALA A 107 5.009 5.119 21.642 1.00 50.00 H new ATOM 1552 N ALA A 108 5.217 7.036 24.088 1.00 10.00 N ATOM 1553 CA ALA A 108 6.155 8.068 24.618 1.00 10.00 C ATOM 1554 C ALA A 108 5.688 8.549 25.995 1.00 10.00 C ATOM 1555 O ALA A 108 4.511 8.554 26.294 1.00 10.00 O ATOM 1556 CB ALA A 108 6.100 9.212 23.605 1.00 50.00 C ATOM 0 H ALA A 108 4.398 7.401 23.601 1.00 10.00 H new ATOM 0 HA ALA A 108 7.167 7.681 24.742 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.766 10.014 23.925 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.415 8.848 22.627 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.080 9.592 23.540 1.00 50.00 H new ATOM 1562 N ASP A 109 6.601 8.955 26.834 1.00 50.00 N ATOM 1563 CA ASP A 109 6.206 9.437 28.189 1.00 50.00 C ATOM 1564 C ASP A 109 5.257 10.631 28.067 1.00 50.00 C ATOM 1565 O ASP A 109 4.132 10.593 28.525 1.00 50.00 O ATOM 1566 CB ASP A 109 7.514 9.859 28.859 1.00 50.00 C ATOM 1567 CG ASP A 109 7.657 9.134 30.198 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.267 7.979 30.269 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.153 9.744 31.130 1.00 50.00 O ATOM 0 H ASP A 109 7.602 8.974 26.641 1.00 50.00 H new ATOM 0 HA ASP A 109 5.684 8.672 28.763 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.359 9.622 28.213 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.524 10.938 29.014 1.00 50.00 H new ATOM 1574 N GLU A 110 5.701 11.692 27.451 1.00 10.00 N ATOM 1575 CA GLU A 110 4.824 12.888 27.299 1.00 10.00 C ATOM 1576 C GLU A 110 4.281 12.965 25.870 1.00 10.00 C ATOM 1577 O GLU A 110 5.028 13.067 24.917 1.00 10.00 O ATOM 1578 CB GLU A 110 5.731 14.083 27.597 1.00 10.00 C ATOM 1579 CG GLU A 110 4.950 15.132 28.393 1.00 10.00 C ATOM 1580 CD GLU A 110 5.792 15.602 29.582 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.648 16.447 29.378 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.566 15.108 30.674 1.00 50.00 O ATOM 0 H GLU A 110 6.633 11.783 27.046 1.00 10.00 H new ATOM 0 HA GLU A 110 3.961 12.857 27.964 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.604 13.758 28.163 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.097 14.516 26.666 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.701 15.978 27.753 1.00 10.00 H new ATOM 0 HG3 GLU A 110 4.008 14.710 28.745 1.00 10.00 H new ATOM 1589 N VAL A 111 2.987 12.914 25.714 1.00 10.00 N ATOM 1590 CA VAL A 111 2.397 12.981 24.345 1.00 10.00 C ATOM 1591 C VAL A 111 1.255 14.001 24.313 1.00 10.00 C ATOM 1592 O VAL A 111 0.269 13.865 25.009 1.00 10.00 O ATOM 1593 CB VAL A 111 1.869 11.571 24.077 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.291 11.500 22.663 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.016 10.566 24.209 1.00 12.50 C ATOM 0 H VAL A 111 2.312 12.829 26.474 1.00 10.00 H new ATOM 0 HA VAL A 111 3.122 13.294 23.594 1.00 10.00 H new ATOM 0 HB VAL A 111 1.088 11.332 24.799 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.915 10.495 22.474 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.475 12.216 22.567 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.070 11.738 21.939 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.642 9.560 24.018 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.795 10.806 23.486 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.428 10.615 25.217 1.00 12.50 H new ATOM 1605 N LYS A 112 1.381 15.025 23.511 1.00 10.00 N ATOM 1606 CA LYS A 112 0.304 16.054 23.440 1.00 10.00 C ATOM 1607 C LYS A 112 -0.613 15.785 22.243 1.00 10.00 C ATOM 1608 O LYS A 112 -0.183 15.308 21.213 1.00 10.00 O ATOM 1609 CB LYS A 112 1.035 17.384 23.261 1.00 25.00 C ATOM 1610 CG LYS A 112 1.903 17.662 24.491 1.00 25.00 C ATOM 1611 CD LYS A 112 2.516 19.059 24.376 1.00 25.00 C ATOM 1612 CE LYS A 112 3.763 19.143 25.260 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.896 19.307 24.306 1.00 25.00 N ATOM 0 H LYS A 112 2.182 15.193 22.903 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.325 16.049 24.330 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.655 17.352 22.365 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.315 18.190 23.122 1.00 25.00 H new ATOM 0 HG2 LYS A 112 1.302 17.590 25.397 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.691 16.913 24.571 1.00 25.00 H new ATOM 0 HD2 LYS A 112 2.778 19.269 23.339 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.790 19.813 24.680 1.00 25.00 H new ATOM 0 HE2 LYS A 112 3.702 19.984 25.950 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.881 18.243 25.864 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.791 19.086 24.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.768 18.661 23.501 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 4.921 20.288 23.962 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.874 16.094 22.374 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.823 15.866 21.248 1.00 10.00 C ATOM 1629 C ILE A 113 -4.076 16.724 21.430 1.00 10.00 C ATOM 1630 O ILE A 113 -4.567 16.898 22.527 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.177 14.380 21.319 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.300 14.075 20.327 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.638 14.033 22.736 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -4.387 12.565 20.101 1.00 10.00 C ATOM 0 H ILE A 113 -2.289 16.496 23.215 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.390 16.136 20.285 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.299 13.785 21.067 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.249 14.451 20.709 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.113 14.584 19.382 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.891 12.974 22.787 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.837 14.250 23.443 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.516 14.628 22.989 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.188 12.348 19.394 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -3.441 12.202 19.700 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -4.595 12.067 21.048 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.599 17.260 20.362 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.824 18.102 20.480 1.00 10.00 C ATOM 1648 C VAL A 114 -7.071 17.214 20.456 1.00 10.00 C ATOM 1649 O VAL A 114 -7.218 16.359 19.604 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.796 19.027 19.262 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.924 20.054 19.378 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.451 19.755 19.204 1.00 50.00 C ATOM 0 H VAL A 114 -4.233 17.152 19.416 1.00 10.00 H new ATOM 0 HA VAL A 114 -5.851 18.667 21.412 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.930 18.437 18.355 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.906 20.714 18.511 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.883 19.538 19.421 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -6.788 20.643 20.285 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.431 20.414 18.336 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.317 20.345 20.111 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.645 19.025 19.124 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.965 17.406 21.391 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.199 16.568 21.429 1.00 10.00 C ATOM 1664 C TYR A 115 -10.373 17.332 20.796 1.00 10.00 C ATOM 1665 O TYR A 115 -10.415 18.547 20.811 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.420 16.275 22.931 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.728 16.856 23.428 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -11.905 16.102 23.346 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -10.761 18.147 23.971 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -13.114 16.639 23.806 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -11.968 18.683 24.430 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.146 17.930 24.348 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.337 18.461 24.800 1.00 50.00 O ATOM 0 H TYR A 115 -7.893 18.106 22.129 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.114 15.642 20.860 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.414 15.198 23.096 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.594 16.691 23.508 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -11.881 15.106 22.928 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -9.853 18.729 24.035 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -14.022 16.057 23.743 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -11.992 19.678 24.848 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.882 17.750 25.198 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.323 16.629 20.234 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.486 17.312 19.595 1.00 10.00 C ATOM 1685 C ASN A 116 -12.037 18.015 18.311 1.00 10.00 C ATOM 1686 O ASN A 116 -12.413 19.139 18.042 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.976 18.333 20.623 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.477 18.146 20.852 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.069 17.215 20.344 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.122 18.999 21.599 1.00 10.00 N ATOM 0 H ASN A 116 -11.343 15.610 20.190 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.274 16.611 19.321 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.436 18.208 21.561 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.774 19.345 20.271 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.123 18.884 21.756 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.625 19.781 22.026 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.233 17.361 17.519 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.757 17.990 16.254 1.00 10.00 C ATOM 1699 C ALA A 117 -11.926 18.188 15.285 1.00 10.00 C ATOM 1700 O ALA A 117 -11.870 19.009 14.391 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.746 17.000 15.677 1.00 50.00 C ATOM 0 H ALA A 117 -10.885 16.418 17.693 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.317 18.973 16.423 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.347 17.391 14.741 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -8.931 16.857 16.387 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.237 16.045 15.491 1.00 50.00 H new ATOM 1707 N LYS A 118 -12.985 17.445 15.455 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.152 17.598 14.540 1.00 12.50 C ATOM 1709 C LYS A 118 -14.502 19.080 14.379 1.00 12.50 C ATOM 1710 O LYS A 118 -15.102 19.484 13.402 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.297 16.842 15.220 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.686 17.553 16.519 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.149 17.252 16.844 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.046 18.293 16.171 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.181 18.487 17.116 1.00 50.00 N ATOM 0 H LYS A 118 -13.093 16.741 16.185 1.00 12.50 H new ATOM 0 HA LYS A 118 -13.949 17.209 13.542 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.157 16.788 14.552 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -14.993 15.817 15.432 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.045 17.220 17.335 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.539 18.628 16.416 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.411 16.252 16.498 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.303 17.266 17.923 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.509 19.226 16.001 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.396 17.945 15.199 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.842 19.188 16.725 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.677 17.583 17.254 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.818 18.825 18.030 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.128 19.893 15.330 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.434 21.348 15.229 1.00 50.00 C ATOM 1728 C HIS A 119 -13.629 21.974 14.088 1.00 50.00 C ATOM 1729 O HIS A 119 -14.002 22.990 13.535 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.004 21.936 16.575 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.950 21.475 17.652 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.317 21.692 17.577 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.740 20.810 18.836 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.872 21.167 18.684 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.955 20.617 19.486 1.00 50.00 N ATOM 0 H HIS A 119 -13.624 19.612 16.171 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.487 21.538 15.019 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.987 21.623 16.812 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.999 23.025 16.523 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.812 22.164 16.820 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.778 20.486 19.206 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.930 21.187 18.899 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.528 21.372 13.730 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.697 21.928 12.624 1.00 12.50 C ATOM 1745 C LEU A 120 -12.570 22.223 11.401 1.00 12.50 C ATOM 1746 O LEU A 120 -13.144 21.332 10.807 1.00 12.50 O ATOM 1747 CB LEU A 120 -10.681 20.830 12.305 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.748 21.305 11.190 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.016 22.570 11.640 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -8.728 20.208 10.877 1.00 12.50 C ATOM 0 H LEU A 120 -12.167 20.518 14.156 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.214 22.865 12.901 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -10.104 20.584 13.196 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.197 19.920 11.999 1.00 12.50 H new ATOM 0 HG LEU A 120 -10.332 21.524 10.296 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.351 22.908 10.845 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.743 23.351 11.862 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.431 22.354 12.534 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.063 20.546 10.082 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -8.144 19.989 11.771 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.250 19.307 10.555 1.00 12.50 H new