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= -3.51! C(o=-5.1!,f=-7.5!) USER MOD Set 1.2: A 10 THR OG1 : rot -170:sc= -1.62! USER MOD Set 1.3: A 115 TYR OH : rot -41:sc= 1.28 USER MOD Set 1.4: A 116 ASN : amide:sc= -0.41 K(o=-5.1,f=-8.5!) USER MOD Set 1.5: A 119 HIS : no HE2:sc= -0.82 K(o=-5.1,f=-6.8) USER MOD Set 2.1: A 5 TYR OH : rot 37:sc= 0.384 USER MOD Set 2.2: A 55 GLN : amide:sc= -2.17 K(o=-2.1,f=2.1) USER MOD Set 2.3: A 57 TYR OH : rot -112:sc= -0.344 USER MOD Single : A 2 THR OG1 : rot -73:sc= 0.111 USER MOD Single : A 8 TYR OH : rot 44:sc= 0.343 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -157:sc= -0.182 (180deg=-1.27) USER MOD Single : A 26 LYS NZ :NH3+ 125:sc= -0.0419 (180deg=-0.464) USER MOD Single : A 37 TYR OH : rot 29:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot -33:sc= 0.859 USER MOD Single : A 40 MET CE :methyl 134:sc= -8.9! (180deg=-13.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -102:sc= 0.16! USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= -0.0599 (180deg=-2.52!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) 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 -24:sc= 0.0464 USER MOD Single : A 102 CYS SG : rot -5:sc= -1.76! USER MOD Single : A 105 SER OG : rot 180:sc= 0.00899 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.051 6.640 30.576 1.00 3.92 N ATOM 2 CA PRO A 1 2.982 7.638 29.472 1.00 3.44 C ATOM 3 C PRO A 1 1.916 8.694 29.775 1.00 3.50 C ATOM 4 O PRO A 1 0.780 8.378 30.069 1.00 4.94 O ATOM 5 CB PRO A 1 2.591 6.811 28.254 1.00 2.00 C ATOM 6 CG PRO A 1 1.887 5.620 28.814 1.00 4.99 C ATOM 7 CD PRO A 1 2.502 5.345 30.160 1.00 3.38 C ATOM 0 H2 PRO A 1 2.534 6.987 31.384 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.020 6.522 30.870 1.00 3.92 H new ATOM 0 HA PRO A 1 3.918 8.178 29.328 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.942 7.375 27.584 1.00 2.00 H new ATOM 0 HB3 PRO A 1 3.468 6.517 27.677 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.818 5.812 28.909 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.999 4.759 28.155 1.00 4.99 H new ATOM 0 HD2 PRO A 1 1.760 4.981 30.870 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.281 4.585 30.094 1.00 3.38 H new ATOM 17 N THR A 2 2.274 9.948 29.706 1.00 3.08 N ATOM 18 CA THR A 2 1.282 11.023 29.990 1.00 2.08 C ATOM 19 C THR A 2 0.921 11.761 28.699 1.00 2.52 C ATOM 20 O THR A 2 1.781 12.227 27.976 1.00 2.28 O ATOM 21 CB THR A 2 1.987 11.963 30.967 1.00 3.47 C ATOM 22 OG1 THR A 2 2.502 11.211 32.057 1.00 3.73 O ATOM 23 CG2 THR A 2 0.993 13.003 31.489 1.00 3.09 C ATOM 0 H THR A 2 3.210 10.274 29.465 1.00 3.08 H new ATOM 0 HA THR A 2 0.352 10.631 30.402 1.00 2.08 H new ATOM 0 HB THR A 2 2.804 12.471 30.455 1.00 3.47 H new ATOM 0 HG1 THR A 2 1.765 10.933 32.640 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.498 13.672 32.185 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.598 13.580 30.653 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.174 12.498 32.001 1.00 3.09 H new ATOM 31 N VAL A 3 -0.344 11.871 28.401 1.00 10.00 N ATOM 32 CA VAL A 3 -0.757 12.578 27.155 1.00 10.00 C ATOM 33 C VAL A 3 -1.679 13.751 27.497 1.00 10.00 C ATOM 34 O VAL A 3 -2.787 13.567 27.961 1.00 10.00 O ATOM 35 CB VAL A 3 -1.507 11.529 26.334 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.819 12.091 24.947 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.638 10.277 26.193 1.00 10.00 C ATOM 0 H VAL A 3 -1.109 11.502 28.965 1.00 10.00 H new ATOM 0 HA VAL A 3 0.093 12.989 26.611 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.439 11.272 26.838 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.354 11.342 24.363 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.437 12.983 25.047 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.889 12.349 24.441 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.171 9.528 25.608 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.293 10.535 25.689 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.416 9.875 27.182 1.00 10.00 H new ATOM 47 N GLU A 4 -1.230 14.955 27.270 1.00 10.00 N ATOM 48 CA GLU A 4 -2.081 16.138 27.582 1.00 10.00 C ATOM 49 C GLU A 4 -3.059 16.402 26.435 1.00 10.00 C ATOM 50 O GLU A 4 -2.663 16.639 25.310 1.00 10.00 O ATOM 51 CB GLU A 4 -1.102 17.303 27.730 1.00 50.00 C ATOM 52 CG GLU A 4 -1.644 18.295 28.761 1.00 50.00 C ATOM 53 CD GLU A 4 -0.599 18.512 29.857 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.525 18.845 29.519 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.941 18.343 31.016 1.00 50.00 O ATOM 0 H GLU A 4 -0.312 15.171 26.882 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.678 15.991 28.482 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.125 16.934 28.043 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.963 17.799 26.770 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.883 19.243 28.279 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.569 17.916 29.195 1.00 50.00 H new ATOM 62 N TYR A 5 -4.335 16.361 26.708 1.00 10.00 N ATOM 63 CA TYR A 5 -5.336 16.606 25.631 1.00 10.00 C ATOM 64 C TYR A 5 -5.782 18.071 25.645 1.00 10.00 C ATOM 65 O TYR A 5 -5.982 18.661 26.690 1.00 10.00 O ATOM 66 CB TYR A 5 -6.509 15.682 25.964 1.00 10.00 C ATOM 67 CG TYR A 5 -7.093 16.073 27.300 1.00 10.00 C ATOM 68 CD1 TYR A 5 -8.031 17.110 27.376 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.699 15.399 28.462 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.572 17.474 28.614 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.241 15.762 29.701 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.178 16.800 29.777 1.00 50.00 C ATOM 73 OH TYR A 5 -8.711 17.160 30.998 1.00 50.00 O ATOM 0 H TYR A 5 -4.727 16.169 27.630 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.932 16.409 24.638 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.271 15.750 25.188 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.173 14.645 25.991 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.337 17.629 26.479 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.976 14.598 28.403 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.294 18.275 28.673 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.937 15.242 30.597 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.652 17.407 30.884 1.00 50.00 H new ATOM 83 N LEU A 6 -5.938 18.661 24.491 1.00 10.00 N ATOM 84 CA LEU A 6 -6.370 20.087 24.430 1.00 10.00 C ATOM 85 C LEU A 6 -7.572 20.238 23.490 1.00 10.00 C ATOM 86 O LEU A 6 -7.587 19.715 22.394 1.00 10.00 O ATOM 87 CB LEU A 6 -5.161 20.842 23.874 1.00 12.50 C ATOM 88 CG LEU A 6 -4.813 22.009 24.802 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.702 22.846 24.166 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.050 22.885 25.015 1.00 50.00 C ATOM 0 H LEU A 6 -5.785 18.216 23.586 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.678 20.466 25.404 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.309 20.169 23.785 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.380 21.213 22.873 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.477 21.620 25.763 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.451 23.678 24.824 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.819 22.224 24.015 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.042 23.233 23.205 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.799 23.715 25.676 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.389 23.275 24.055 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.844 22.290 25.466 1.00 50.00 H new ATOM 102 N ASN A 7 -8.579 20.952 23.912 1.00 10.00 N ATOM 103 CA ASN A 7 -9.781 21.141 23.049 1.00 10.00 C ATOM 104 C ASN A 7 -9.420 21.938 21.791 1.00 10.00 C ATOM 105 O ASN A 7 -8.963 23.061 21.867 1.00 10.00 O ATOM 106 CB ASN A 7 -10.759 21.932 23.917 1.00 10.00 C ATOM 107 CG ASN A 7 -12.120 21.999 23.222 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.510 21.078 22.533 1.00 12.50 O ATOM 109 ND2 ASN A 7 -12.865 23.058 23.379 1.00 12.50 N ATOM 0 H ASN A 7 -8.622 21.414 24.820 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.199 20.193 22.710 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.860 21.458 24.893 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.377 22.938 24.089 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.776 23.113 22.923 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.537 23.831 23.958 1.00 12.50 H new ATOM 116 N TYR A 8 -9.628 21.369 20.633 1.00 50.00 N ATOM 117 CA TYR A 8 -9.303 22.101 19.375 1.00 50.00 C ATOM 118 C TYR A 8 -10.032 23.443 19.362 1.00 50.00 C ATOM 119 O TYR A 8 -9.575 24.408 18.781 1.00 50.00 O ATOM 120 CB TYR A 8 -9.815 21.203 18.246 1.00 50.00 C ATOM 121 CG TYR A 8 -9.863 21.984 16.956 1.00 50.00 C ATOM 122 CD1 TYR A 8 -10.912 22.879 16.719 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.861 21.810 15.992 1.00 50.00 C ATOM 124 CE1 TYR A 8 -10.961 23.600 15.521 1.00 50.00 C ATOM 125 CE2 TYR A 8 -8.909 22.531 14.794 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.960 23.427 14.558 1.00 50.00 C ATOM 127 OH TYR A 8 -10.008 24.138 13.376 1.00 50.00 O ATOM 0 H TYR A 8 -10.008 20.431 20.505 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.237 22.307 19.274 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.163 20.337 18.134 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.808 20.825 18.491 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.685 23.013 17.462 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -8.051 21.119 16.174 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -11.771 24.290 15.339 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -8.136 22.397 14.051 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.241 25.071 13.565 1.00 50.00 H new ATOM 137 N GLU A 9 -11.164 23.509 20.005 1.00 25.00 N ATOM 138 CA GLU A 9 -11.926 24.787 20.041 1.00 25.00 C ATOM 139 C GLU A 9 -11.156 25.822 20.862 1.00 25.00 C ATOM 140 O GLU A 9 -11.113 26.990 20.527 1.00 25.00 O ATOM 141 CB GLU A 9 -13.252 24.443 20.720 1.00 50.00 C ATOM 142 CG GLU A 9 -14.358 25.343 20.165 1.00 50.00 C ATOM 143 CD GLU A 9 -14.872 26.262 21.275 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.082 26.625 22.129 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.048 26.586 21.250 1.00 50.00 O ATOM 0 H GLU A 9 -11.594 22.733 20.507 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.080 25.209 19.048 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.500 23.396 20.548 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.166 24.577 21.798 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -13.976 25.937 19.334 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.174 24.735 19.774 1.00 50.00 H new ATOM 152 N THR A 10 -10.538 25.400 21.931 1.00 50.00 N ATOM 153 CA THR A 10 -9.762 26.358 22.766 1.00 50.00 C ATOM 154 C THR A 10 -8.710 27.052 21.901 1.00 50.00 C ATOM 155 O THR A 10 -8.413 28.217 22.079 1.00 50.00 O ATOM 156 CB THR A 10 -9.093 25.500 23.840 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.089 24.961 24.698 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.125 26.360 24.654 1.00 50.00 C ATOM 0 H THR A 10 -10.537 24.435 22.261 1.00 50.00 H new ATOM 0 HA THR A 10 -10.388 27.135 23.205 1.00 50.00 H new ATOM 0 HB THR A 10 -8.541 24.688 23.367 1.00 50.00 H new ATOM 0 HG1 THR A 10 -9.661 24.544 25.475 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.649 25.747 25.419 1.00 50.00 H new ATOM 0 HG22 THR A 10 -7.362 26.773 23.994 1.00 50.00 H new ATOM 0 HG23 THR A 10 -8.673 27.173 25.130 1.00 50.00 H new ATOM 166 N LEU A 11 -8.152 26.345 20.957 1.00 50.00 N ATOM 167 CA LEU A 11 -7.126 26.965 20.072 1.00 50.00 C ATOM 168 C LEU A 11 -7.795 27.949 19.110 1.00 50.00 C ATOM 169 O LEU A 11 -7.240 28.974 18.768 1.00 50.00 O ATOM 170 CB LEU A 11 -6.507 25.799 19.301 1.00 50.00 C ATOM 171 CG LEU A 11 -5.685 26.343 18.131 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.588 27.267 18.664 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.046 25.178 17.371 1.00 50.00 C ATOM 0 H LEU A 11 -8.362 25.366 20.760 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.376 27.522 20.633 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -5.873 25.208 19.962 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.290 25.136 18.933 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.336 26.902 17.459 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.002 27.655 17.831 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.042 28.097 19.205 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -3.937 26.709 19.336 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.460 25.565 16.537 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.395 24.619 18.043 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.827 24.520 16.991 1.00 50.00 H new ATOM 185 N ASP A 12 -8.988 27.643 18.675 1.00 50.00 N ATOM 186 CA ASP A 12 -9.699 28.559 17.736 1.00 50.00 C ATOM 187 C ASP A 12 -10.332 29.718 18.510 1.00 50.00 C ATOM 188 O ASP A 12 -10.021 30.871 18.285 1.00 50.00 O ATOM 189 CB ASP A 12 -10.781 27.695 17.086 1.00 50.00 C ATOM 190 CG ASP A 12 -10.344 27.310 15.672 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.749 28.145 15.011 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.612 26.188 15.274 1.00 50.00 O ATOM 0 H ASP A 12 -9.501 26.799 18.929 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.028 28.998 16.997 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.953 26.799 17.682 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.724 28.240 17.051 1.00 50.00 H new ATOM 197 N ASP A 13 -11.219 29.421 19.421 1.00 50.00 N ATOM 198 CA ASP A 13 -11.871 30.507 20.209 1.00 50.00 C ATOM 199 C ASP A 13 -10.817 31.488 20.729 1.00 50.00 C ATOM 200 O ASP A 13 -10.937 32.686 20.569 1.00 50.00 O ATOM 201 CB ASP A 13 -12.562 29.794 21.374 1.00 50.00 C ATOM 202 CG ASP A 13 -13.895 30.483 21.675 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.399 31.162 20.796 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.387 30.319 22.779 1.00 50.00 O ATOM 0 H ASP A 13 -11.520 28.475 19.654 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.575 31.085 19.611 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.730 28.746 21.125 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.923 29.813 22.257 1.00 50.00 H new ATOM 209 N GLN A 14 -9.784 30.988 21.351 1.00 50.00 N ATOM 210 CA GLN A 14 -8.723 31.891 21.878 1.00 50.00 C ATOM 211 C GLN A 14 -7.830 32.381 20.735 1.00 50.00 C ATOM 212 O GLN A 14 -7.098 33.340 20.873 1.00 50.00 O ATOM 213 CB GLN A 14 -7.921 31.032 22.855 1.00 50.00 C ATOM 214 CG GLN A 14 -7.312 31.924 23.939 1.00 50.00 C ATOM 215 CD GLN A 14 -7.699 31.389 25.320 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.482 31.998 26.022 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.181 30.267 25.741 1.00 50.00 N ATOM 0 H GLN A 14 -9.630 29.993 21.517 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.136 32.777 22.360 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.566 30.280 23.309 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.133 30.498 22.324 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.227 31.948 23.838 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.665 32.948 23.822 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -6.524 29.756 25.152 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -7.434 29.902 26.659 1.00 50.00 H new ATOM 226 N GLY A 15 -7.885 31.729 19.605 1.00 50.00 N ATOM 227 CA GLY A 15 -7.040 32.157 18.456 1.00 50.00 C ATOM 228 C GLY A 15 -5.564 32.064 18.846 1.00 50.00 C ATOM 229 O GLY A 15 -4.761 32.899 18.481 1.00 50.00 O ATOM 0 H GLY A 15 -8.479 30.919 19.429 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.239 31.526 17.590 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.288 33.179 18.169 1.00 50.00 H new ATOM 233 N TRP A 16 -5.199 31.052 19.585 1.00 50.00 N ATOM 234 CA TRP A 16 -3.774 30.905 19.998 1.00 50.00 C ATOM 235 C TRP A 16 -2.965 30.243 18.880 1.00 50.00 C ATOM 236 O TRP A 16 -3.473 29.974 17.809 1.00 50.00 O ATOM 237 CB TRP A 16 -3.810 30.007 21.236 1.00 50.00 C ATOM 238 CG TRP A 16 -3.480 30.818 22.447 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.816 30.360 23.532 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.786 32.216 22.713 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.694 31.388 24.448 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.277 32.554 23.990 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.449 33.215 21.979 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.421 33.836 24.519 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.597 34.507 22.508 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.084 34.817 23.775 1.00 50.00 C ATOM 0 H TRP A 16 -5.826 30.321 19.921 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.304 31.866 20.205 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.797 29.557 21.344 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.097 29.190 21.127 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.442 29.355 23.662 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.230 31.297 25.352 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -4.847 32.987 21.001 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.024 34.070 25.496 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.109 35.266 21.935 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.201 35.813 24.176 1.00 50.00 H new ATOM 257 N ASP A 17 -1.712 29.976 19.122 1.00 50.00 N ATOM 258 CA ASP A 17 -0.871 29.330 18.074 1.00 50.00 C ATOM 259 C ASP A 17 -0.895 27.808 18.244 1.00 50.00 C ATOM 260 O ASP A 17 -1.455 27.289 19.188 1.00 50.00 O ATOM 261 CB ASP A 17 0.540 29.874 18.306 1.00 50.00 C ATOM 262 CG ASP A 17 0.969 30.720 17.105 1.00 50.00 C ATOM 263 OD1 ASP A 17 0.249 30.725 16.119 1.00 50.00 O ATOM 264 OD2 ASP A 17 2.011 31.348 17.191 1.00 50.00 O ATOM 0 H ASP A 17 -1.233 30.177 20.000 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.228 29.544 17.067 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.564 30.476 19.214 1.00 50.00 H new ATOM 0 HB3 ASP A 17 1.239 29.050 18.451 1.00 50.00 H new ATOM 269 N MET A 18 -0.292 27.091 17.335 1.00 50.00 N ATOM 270 CA MET A 18 -0.282 25.605 17.445 1.00 50.00 C ATOM 271 C MET A 18 0.753 25.155 18.479 1.00 50.00 C ATOM 272 O MET A 18 0.466 24.362 19.354 1.00 50.00 O ATOM 273 CB MET A 18 0.101 25.108 16.050 1.00 50.00 C ATOM 274 CG MET A 18 0.141 23.578 16.046 1.00 50.00 C ATOM 275 SD MET A 18 0.942 22.999 14.528 1.00 50.00 S ATOM 276 CE MET A 18 -0.171 23.819 13.361 1.00 50.00 C ATOM 0 H MET A 18 0.194 27.470 16.522 1.00 50.00 H new ATOM 0 HA MET A 18 -1.244 25.209 17.770 1.00 50.00 H new ATOM 0 HB2 MET A 18 -0.620 25.465 15.315 1.00 50.00 H new ATOM 0 HB3 MET A 18 1.074 25.509 15.764 1.00 50.00 H new ATOM 0 HG2 MET A 18 0.685 23.216 16.918 1.00 50.00 H new ATOM 0 HG3 MET A 18 -0.870 23.177 16.112 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.138 23.302 12.402 1.00 50.00 H new ATOM 0 HE2 MET A 18 -1.189 23.796 13.751 1.00 50.00 H new ATOM 0 HE3 MET A 18 0.142 24.854 13.226 1.00 50.00 H new ATOM 286 N ASP A 19 1.958 25.650 18.385 1.00 50.00 N ATOM 287 CA ASP A 19 3.008 25.244 19.363 1.00 50.00 C ATOM 288 C ASP A 19 3.714 26.477 19.936 1.00 50.00 C ATOM 289 O ASP A 19 4.555 26.371 20.807 1.00 50.00 O ATOM 290 CB ASP A 19 3.986 24.391 18.554 1.00 50.00 C ATOM 291 CG ASP A 19 5.249 24.140 19.381 1.00 50.00 C ATOM 292 OD1 ASP A 19 5.152 23.442 20.377 1.00 50.00 O ATOM 293 OD2 ASP A 19 6.292 24.649 19.004 1.00 50.00 O ATOM 0 H ASP A 19 2.260 26.317 17.675 1.00 50.00 H new ATOM 0 HA ASP A 19 2.593 24.700 20.212 1.00 50.00 H new ATOM 0 HB2 ASP A 19 3.521 23.443 18.284 1.00 50.00 H new ATOM 0 HB3 ASP A 19 4.242 24.897 17.623 1.00 50.00 H new ATOM 298 N ASP A 20 3.381 27.644 19.456 1.00 50.00 N ATOM 299 CA ASP A 20 4.038 28.879 19.979 1.00 50.00 C ATOM 300 C ASP A 20 3.485 29.230 21.363 1.00 50.00 C ATOM 301 O ASP A 20 4.212 29.298 22.333 1.00 50.00 O ATOM 302 CB ASP A 20 3.690 29.972 18.967 1.00 50.00 C ATOM 303 CG ASP A 20 4.785 31.040 18.974 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.931 30.688 18.748 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.459 32.192 19.206 1.00 50.00 O ATOM 0 H ASP A 20 2.685 27.797 18.727 1.00 50.00 H new ATOM 0 HA ASP A 20 5.115 28.757 20.092 1.00 50.00 H new ATOM 0 HB2 ASP A 20 3.593 29.542 17.970 1.00 50.00 H new ATOM 0 HB3 ASP A 20 2.728 30.420 19.216 1.00 50.00 H new ATOM 310 N ASP A 21 2.202 29.453 21.462 1.00 50.00 N ATOM 311 CA ASP A 21 1.607 29.798 22.785 1.00 50.00 C ATOM 312 C ASP A 21 1.680 28.592 23.723 1.00 50.00 C ATOM 313 O ASP A 21 1.488 28.709 24.918 1.00 50.00 O ATOM 314 CB ASP A 21 0.153 30.159 22.484 1.00 50.00 C ATOM 315 CG ASP A 21 0.096 31.541 21.831 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.630 32.472 22.412 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.482 31.646 20.762 1.00 50.00 O ATOM 0 H ASP A 21 1.542 29.411 20.686 1.00 50.00 H new ATOM 0 HA ASP A 21 2.134 30.616 23.277 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.289 29.414 21.822 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.432 30.155 23.404 1.00 50.00 H new ATOM 322 N ASP A 22 1.956 27.435 23.190 1.00 50.00 N ATOM 323 CA ASP A 22 2.042 26.219 24.048 1.00 50.00 C ATOM 324 C ASP A 22 0.802 26.110 24.936 1.00 50.00 C ATOM 325 O ASP A 22 0.898 25.958 26.137 1.00 50.00 O ATOM 326 CB ASP A 22 3.297 26.421 24.898 1.00 50.00 C ATOM 327 CG ASP A 22 4.236 25.227 24.712 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.085 24.261 25.443 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.089 25.299 23.845 1.00 50.00 O ATOM 0 H ASP A 22 2.126 27.278 22.197 1.00 50.00 H new ATOM 0 HA ASP A 22 2.092 25.302 23.461 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.801 27.343 24.608 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.025 26.523 25.949 1.00 50.00 H new ATOM 334 N LEU A 23 -0.359 26.185 24.349 1.00 50.00 N ATOM 335 CA LEU A 23 -1.612 26.083 25.153 1.00 50.00 C ATOM 336 C LEU A 23 -1.473 24.983 26.207 1.00 50.00 C ATOM 337 O LEU A 23 -2.001 25.083 27.297 1.00 50.00 O ATOM 338 CB LEU A 23 -2.703 25.722 24.144 1.00 50.00 C ATOM 339 CG LEU A 23 -2.973 26.921 23.232 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.319 26.425 21.827 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.145 27.730 23.791 1.00 50.00 C ATOM 0 H LEU A 23 -0.496 26.313 23.346 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.838 27.007 25.684 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -2.393 24.862 23.550 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.616 25.436 24.666 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.085 27.551 23.185 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.511 27.279 21.177 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.485 25.847 21.430 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.208 25.796 21.872 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.339 28.585 23.143 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -5.033 27.100 23.836 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.899 28.083 24.793 1.00 50.00 H new ATOM 353 N PHE A 24 -0.765 23.934 25.892 1.00 50.00 N ATOM 354 CA PHE A 24 -0.590 22.828 26.877 1.00 50.00 C ATOM 355 C PHE A 24 0.059 23.362 28.157 1.00 50.00 C ATOM 356 O PHE A 24 0.021 22.732 29.194 1.00 50.00 O ATOM 357 CB PHE A 24 0.336 21.823 26.189 1.00 50.00 C ATOM 358 CG PHE A 24 -0.453 21.001 25.197 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.546 20.241 25.629 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.087 20.995 23.845 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.274 19.477 24.709 1.00 50.00 C ATOM 362 CE2 PHE A 24 -0.815 20.232 22.925 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.909 19.472 23.357 1.00 50.00 C ATOM 0 H PHE A 24 -0.300 23.794 24.995 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.540 22.376 27.163 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.144 22.348 25.680 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.797 21.171 26.931 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.828 20.244 26.672 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.758 21.580 23.512 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -3.118 18.891 25.042 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -0.533 20.229 21.882 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.471 18.882 22.648 1.00 50.00 H new ATOM 373 N GLU A 25 0.660 24.520 28.089 1.00 50.00 N ATOM 374 CA GLU A 25 1.316 25.092 29.301 1.00 50.00 C ATOM 375 C GLU A 25 0.600 26.371 29.745 1.00 50.00 C ATOM 376 O GLU A 25 0.422 26.617 30.922 1.00 50.00 O ATOM 377 CB GLU A 25 2.747 25.403 28.866 1.00 50.00 C ATOM 378 CG GLU A 25 3.726 24.886 29.922 1.00 50.00 C ATOM 379 CD GLU A 25 4.120 23.445 29.592 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.076 23.268 28.854 1.00 50.00 O ATOM 381 OE2 GLU A 25 3.460 22.544 30.081 1.00 50.00 O ATOM 0 H GLU A 25 0.725 25.094 27.248 1.00 50.00 H new ATOM 0 HA GLU A 25 1.285 24.405 30.147 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.955 24.937 27.903 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.873 26.478 28.734 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.613 25.519 29.952 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.269 24.932 30.910 1.00 50.00 H new ATOM 388 N LYS A 26 0.193 27.189 28.815 1.00 50.00 N ATOM 389 CA LYS A 26 -0.510 28.452 29.189 1.00 50.00 C ATOM 390 C LYS A 26 -1.948 28.149 29.612 1.00 50.00 C ATOM 391 O LYS A 26 -2.564 28.902 30.340 1.00 50.00 O ATOM 392 CB LYS A 26 -0.492 29.307 27.923 1.00 50.00 C ATOM 393 CG LYS A 26 0.931 29.805 27.661 1.00 50.00 C ATOM 394 CD LYS A 26 1.183 31.074 28.477 1.00 50.00 C ATOM 395 CE LYS A 26 2.075 30.742 29.675 1.00 50.00 C ATOM 396 NZ LYS A 26 3.427 30.513 29.091 1.00 50.00 N ATOM 0 H LYS A 26 0.315 27.040 27.813 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.032 28.958 30.028 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.846 28.724 27.073 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.170 30.153 28.034 1.00 50.00 H new ATOM 0 HG2 LYS A 26 1.653 29.035 27.933 1.00 50.00 H new ATOM 0 HG3 LYS A 26 1.067 30.009 26.599 1.00 50.00 H new ATOM 0 HD2 LYS A 26 1.660 31.831 27.854 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.237 31.493 28.820 1.00 50.00 H new ATOM 0 HE2 LYS A 26 2.089 31.559 30.396 1.00 50.00 H new ATOM 0 HE3 LYS A 26 1.717 29.858 30.202 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 4.117 31.136 29.558 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 3.704 29.521 29.235 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 3.405 30.722 28.072 1.00 50.00 H new ATOM 410 N ALA A 27 -2.489 27.053 29.159 1.00 50.00 N ATOM 411 CA ALA A 27 -3.888 26.700 29.532 1.00 50.00 C ATOM 412 C ALA A 27 -3.987 26.438 31.037 1.00 50.00 C ATOM 413 O ALA A 27 -4.980 26.744 31.667 1.00 50.00 O ATOM 414 CB ALA A 27 -4.196 25.427 28.744 1.00 50.00 C ATOM 0 H ALA A 27 -2.022 26.385 28.545 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.591 27.502 29.305 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.212 25.100 28.964 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.102 25.628 27.677 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.493 24.644 29.029 1.00 50.00 H new ATOM 420 N ALA A 28 -2.965 25.872 31.619 1.00 50.00 N ATOM 421 CA ALA A 28 -3.004 25.590 33.083 1.00 50.00 C ATOM 422 C ALA A 28 -3.156 26.894 33.871 1.00 50.00 C ATOM 423 O ALA A 28 -3.709 26.916 34.953 1.00 50.00 O ATOM 424 CB ALA A 28 -1.663 24.925 33.396 1.00 50.00 C ATOM 0 H ALA A 28 -2.106 25.593 31.145 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.846 24.955 33.358 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.615 24.686 34.458 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.566 24.009 32.813 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.851 25.605 33.140 1.00 50.00 H new ATOM 430 N ASP A 29 -2.670 27.979 33.336 1.00 50.00 N ATOM 431 CA ASP A 29 -2.788 29.281 34.055 1.00 50.00 C ATOM 432 C ASP A 29 -4.064 30.007 33.626 1.00 50.00 C ATOM 433 O ASP A 29 -4.642 30.768 34.378 1.00 50.00 O ATOM 434 CB ASP A 29 -1.551 30.080 33.639 1.00 50.00 C ATOM 435 CG ASP A 29 -1.009 30.843 34.848 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.800 30.216 35.874 1.00 50.00 O ATOM 437 OD2 ASP A 29 -0.813 32.041 34.729 1.00 50.00 O ATOM 0 H ASP A 29 -2.197 28.022 32.433 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.844 29.151 35.136 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.787 29.410 33.246 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.806 30.776 32.840 1.00 50.00 H new ATOM 442 N ALA A 30 -4.510 29.781 32.421 1.00 50.00 N ATOM 443 CA ALA A 30 -5.749 30.458 31.943 1.00 50.00 C ATOM 444 C ALA A 30 -6.973 29.890 32.662 1.00 50.00 C ATOM 445 O ALA A 30 -7.912 30.598 32.967 1.00 50.00 O ATOM 446 CB ALA A 30 -5.815 30.155 30.447 1.00 50.00 C ATOM 0 H ALA A 30 -4.070 29.156 31.746 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.736 31.530 32.140 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -6.703 30.621 30.020 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -4.926 30.551 29.956 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.863 29.077 30.296 1.00 50.00 H new ATOM 452 N GLY A 31 -6.969 28.617 32.934 1.00 50.00 N ATOM 453 CA GLY A 31 -8.131 27.999 33.634 1.00 50.00 C ATOM 454 C GLY A 31 -9.175 27.564 32.602 1.00 50.00 C ATOM 455 O GLY A 31 -10.271 28.084 32.557 1.00 50.00 O ATOM 0 H GLY A 31 -6.211 27.975 32.702 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.802 27.140 34.219 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.569 28.711 34.333 1.00 50.00 H new ATOM 459 N LEU A 32 -8.843 26.613 31.771 1.00 50.00 N ATOM 460 CA LEU A 32 -9.817 26.147 30.743 1.00 50.00 C ATOM 461 C LEU A 32 -10.656 24.990 31.294 1.00 50.00 C ATOM 462 O LEU A 32 -10.423 24.506 32.384 1.00 50.00 O ATOM 463 CB LEU A 32 -8.958 25.676 29.570 1.00 50.00 C ATOM 464 CG LEU A 32 -8.863 26.790 28.525 1.00 50.00 C ATOM 465 CD1 LEU A 32 -10.251 27.057 27.938 1.00 50.00 C ATOM 466 CD2 LEU A 32 -8.336 28.066 29.187 1.00 50.00 C ATOM 0 H LEU A 32 -7.940 26.139 31.760 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.514 26.931 30.449 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -7.962 25.406 29.921 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.392 24.781 29.124 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.183 26.485 27.729 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -10.185 27.850 27.193 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -10.628 26.149 27.468 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -10.930 27.362 28.734 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -8.268 28.860 28.444 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.016 28.371 29.982 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -7.348 27.877 29.607 1.00 50.00 H new ATOM 478 N ASP A 33 -11.631 24.543 30.550 1.00 50.00 N ATOM 479 CA ASP A 33 -12.483 23.418 31.033 1.00 50.00 C ATOM 480 C ASP A 33 -11.669 22.122 31.083 1.00 50.00 C ATOM 481 O ASP A 33 -10.892 21.830 30.196 1.00 50.00 O ATOM 482 CB ASP A 33 -13.613 23.307 30.009 1.00 50.00 C ATOM 483 CG ASP A 33 -14.825 24.098 30.504 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.662 25.270 30.801 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.896 23.518 30.578 1.00 50.00 O ATOM 0 H ASP A 33 -11.875 24.908 29.629 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.864 23.591 32.040 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.283 23.691 29.044 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.883 22.261 29.860 1.00 50.00 H new ATOM 490 N GLY A 34 -11.840 21.345 32.118 1.00 50.00 N ATOM 491 CA GLY A 34 -11.073 20.070 32.231 1.00 50.00 C ATOM 492 C GLY A 34 -11.370 19.182 31.022 1.00 50.00 C ATOM 493 O GLY A 34 -10.478 18.622 30.417 1.00 50.00 O ATOM 0 H GLY A 34 -12.478 21.537 32.891 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -10.005 20.280 32.286 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.344 19.552 33.151 1.00 50.00 H new ATOM 497 N GLU A 35 -12.615 19.049 30.668 1.00 50.00 N ATOM 498 CA GLU A 35 -12.970 18.197 29.498 1.00 50.00 C ATOM 499 C GLU A 35 -12.288 18.724 28.233 1.00 50.00 C ATOM 500 O GLU A 35 -12.197 18.040 27.234 1.00 50.00 O ATOM 501 CB GLU A 35 -14.490 18.307 29.374 1.00 50.00 C ATOM 502 CG GLU A 35 -15.132 18.057 30.740 1.00 50.00 C ATOM 503 CD GLU A 35 -16.580 17.602 30.546 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.369 18.397 30.060 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.875 16.468 30.886 1.00 50.00 O ATOM 0 H GLU A 35 -13.404 19.493 31.137 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.646 17.164 29.626 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.765 19.296 29.006 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.860 17.583 28.648 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.571 17.298 31.284 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -15.102 18.967 31.340 1.00 50.00 H new ATOM 512 N ASP A 36 -11.808 19.937 28.267 1.00 50.00 N ATOM 513 CA ASP A 36 -11.132 20.506 27.065 1.00 50.00 C ATOM 514 C ASP A 36 -9.613 20.360 27.188 1.00 50.00 C ATOM 515 O ASP A 36 -8.958 19.831 26.313 1.00 50.00 O ATOM 516 CB ASP A 36 -11.527 21.983 27.048 1.00 50.00 C ATOM 517 CG ASP A 36 -12.956 22.124 26.521 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.645 21.119 26.457 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.337 23.234 26.189 1.00 50.00 O ATOM 0 H ASP A 36 -11.854 20.559 29.074 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.426 19.994 26.149 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.456 22.401 28.052 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.839 22.547 26.418 1.00 50.00 H new ATOM 524 N TYR A 37 -9.049 20.829 28.267 1.00 12.50 N ATOM 525 CA TYR A 37 -7.572 20.722 28.445 1.00 12.50 C ATOM 526 C TYR A 37 -7.247 19.972 29.741 1.00 12.50 C ATOM 527 O TYR A 37 -7.947 20.085 30.728 1.00 12.50 O ATOM 528 CB TYR A 37 -7.085 22.172 28.519 1.00 12.50 C ATOM 529 CG TYR A 37 -5.706 22.216 29.134 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.671 21.446 28.593 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.464 23.031 30.248 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.393 21.489 29.164 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.187 23.074 30.819 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.152 22.303 30.277 1.00 12.50 C ATOM 535 OH TYR A 37 -1.894 22.345 30.841 1.00 50.00 O ATOM 0 H TYR A 37 -9.547 21.282 29.034 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.092 20.170 27.637 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.063 22.609 27.521 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.778 22.768 29.113 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.858 20.818 27.734 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.263 23.626 30.666 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.594 20.895 28.746 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.000 23.702 31.678 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.221 22.159 30.153 1.00 50.00 H new ATOM 545 N GLY A 38 -6.188 19.209 29.746 1.00 10.00 N ATOM 546 CA GLY A 38 -5.819 18.458 30.979 1.00 10.00 C ATOM 547 C GLY A 38 -4.840 17.337 30.623 1.00 10.00 C ATOM 548 O GLY A 38 -4.661 16.998 29.470 1.00 10.00 O ATOM 0 H GLY A 38 -5.564 19.074 28.951 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.367 19.132 31.706 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.712 18.041 31.444 1.00 10.00 H new ATOM 552 N THR A 39 -4.206 16.757 31.606 1.00 10.00 N ATOM 553 CA THR A 39 -3.240 15.657 31.325 1.00 10.00 C ATOM 554 C THR A 39 -3.969 14.311 31.289 1.00 10.00 C ATOM 555 O THR A 39 -4.565 13.890 32.260 1.00 10.00 O ATOM 556 CB THR A 39 -2.245 15.695 32.487 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.872 17.042 32.743 1.00 50.00 O ATOM 558 CG2 THR A 39 -1.003 14.879 32.123 1.00 50.00 C ATOM 0 H THR A 39 -4.315 16.997 32.591 1.00 10.00 H new ATOM 0 HA THR A 39 -2.746 15.778 30.361 1.00 10.00 H new ATOM 0 HB THR A 39 -2.707 15.270 33.378 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.871 17.547 31.903 1.00 50.00 H new ATOM 0 HG21 THR A 39 -0.294 14.906 32.951 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.291 13.846 31.926 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.538 15.302 31.233 1.00 50.00 H new ATOM 566 N MET A 40 -3.925 13.633 30.176 1.00 10.00 N ATOM 567 CA MET A 40 -4.615 12.315 30.079 1.00 10.00 C ATOM 568 C MET A 40 -3.673 11.192 30.519 1.00 10.00 C ATOM 569 O MET A 40 -2.915 10.661 29.732 1.00 10.00 O ATOM 570 CB MET A 40 -4.973 12.164 28.601 1.00 10.00 C ATOM 571 CG MET A 40 -6.424 11.698 28.473 1.00 10.00 C ATOM 572 SD MET A 40 -6.692 11.001 26.825 1.00 12.50 S ATOM 573 CE MET A 40 -7.024 9.301 27.351 1.00 50.00 C ATOM 0 H MET A 40 -3.442 13.934 29.330 1.00 10.00 H new ATOM 0 HA MET A 40 -5.495 12.261 30.720 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.838 13.114 28.084 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.306 11.445 28.126 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.646 10.951 29.236 1.00 10.00 H new ATOM 0 HG3 MET A 40 -7.102 12.535 28.640 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.901 8.923 26.827 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.164 8.674 27.118 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.207 9.282 28.425 1.00 50.00 H new ATOM 583 N GLU A 41 -3.715 10.826 31.770 1.00 10.00 N ATOM 584 CA GLU A 41 -2.823 9.736 32.258 1.00 10.00 C ATOM 585 C GLU A 41 -3.207 8.407 31.603 1.00 10.00 C ATOM 586 O GLU A 41 -4.297 7.905 31.794 1.00 10.00 O ATOM 587 CB GLU A 41 -3.057 9.677 33.767 1.00 10.00 C ATOM 588 CG GLU A 41 -1.896 10.362 34.490 1.00 10.00 C ATOM 589 CD GLU A 41 -0.630 9.516 34.336 1.00 12.50 C ATOM 590 OE1 GLU A 41 -0.747 8.303 34.350 1.00 12.50 O ATOM 591 OE2 GLU A 41 0.434 10.098 34.208 1.00 12.50 O ATOM 0 H GLU A 41 -4.328 11.234 32.476 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.776 9.919 32.016 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -3.997 10.168 34.020 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -3.141 8.640 34.093 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.733 11.358 34.078 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.135 10.489 35.546 1.00 10.00 H new ATOM 598 N VAL A 42 -2.325 7.835 30.831 1.00 10.00 N ATOM 599 CA VAL A 42 -2.647 6.541 30.167 1.00 10.00 C ATOM 600 C VAL A 42 -1.680 5.450 30.634 1.00 10.00 C ATOM 601 O VAL A 42 -0.483 5.654 30.699 1.00 10.00 O ATOM 602 CB VAL A 42 -2.474 6.808 28.671 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.736 5.519 27.890 1.00 10.00 C ATOM 604 CG2 VAL A 42 -3.469 7.883 28.228 1.00 10.00 C ATOM 0 H VAL A 42 -1.396 8.207 30.631 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.653 6.195 30.405 1.00 10.00 H new ATOM 0 HB VAL A 42 -1.457 7.150 28.477 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -2.613 5.708 26.824 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.029 4.752 28.206 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.753 5.177 28.083 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -3.347 8.075 27.162 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -4.485 7.540 28.421 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -3.284 8.801 28.785 1.00 10.00 H new ATOM 614 N ALA A 43 -2.189 4.294 30.963 1.00 10.00 N ATOM 615 CA ALA A 43 -1.298 3.193 31.428 1.00 10.00 C ATOM 616 C ALA A 43 -0.621 2.516 30.234 1.00 10.00 C ATOM 617 O ALA A 43 -1.060 2.636 29.108 1.00 10.00 O ATOM 618 CB ALA A 43 -2.223 2.211 32.146 1.00 50.00 C ATOM 0 H ALA A 43 -3.182 4.064 30.930 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.502 3.555 32.079 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.640 1.369 32.519 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.710 2.714 32.982 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.980 1.849 31.450 1.00 50.00 H new ATOM 624 N GLU A 44 0.446 1.807 30.473 1.00 10.00 N ATOM 625 CA GLU A 44 1.156 1.123 29.354 1.00 10.00 C ATOM 626 C GLU A 44 0.243 0.077 28.708 1.00 10.00 C ATOM 627 O GLU A 44 -0.215 -0.844 29.352 1.00 10.00 O ATOM 628 CB GLU A 44 2.365 0.453 30.007 1.00 10.00 C ATOM 629 CG GLU A 44 3.498 1.472 30.140 1.00 10.00 C ATOM 630 CD GLU A 44 4.820 0.738 30.373 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.774 -0.403 30.801 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.856 1.330 30.118 1.00 25.00 O ATOM 0 H GLU A 44 0.859 1.671 31.396 1.00 10.00 H new ATOM 0 HA GLU A 44 1.450 1.815 28.565 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.093 0.064 30.988 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.693 -0.396 29.407 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.562 2.081 29.238 1.00 10.00 H new ATOM 0 HG3 GLU A 44 3.296 2.151 30.969 1.00 10.00 H new ATOM 639 N GLY A 45 -0.022 0.213 27.437 1.00 10.00 N ATOM 640 CA GLY A 45 -0.903 -0.772 26.748 1.00 10.00 C ATOM 641 C GLY A 45 -2.368 -0.363 26.924 1.00 10.00 C ATOM 642 O GLY A 45 -3.270 -1.069 26.524 1.00 10.00 O ATOM 0 H GLY A 45 0.334 0.964 26.846 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.653 -0.819 25.688 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.742 -1.769 27.158 1.00 10.00 H new ATOM 646 N GLU A 46 -2.609 0.775 27.520 1.00 10.00 N ATOM 647 CA GLU A 46 -4.017 1.226 27.717 1.00 10.00 C ATOM 648 C GLU A 46 -4.485 2.038 26.506 1.00 10.00 C ATOM 649 O GLU A 46 -3.831 2.971 26.082 1.00 10.00 O ATOM 650 CB GLU A 46 -3.979 2.104 28.970 1.00 10.00 C ATOM 651 CG GLU A 46 -5.349 2.083 29.650 1.00 10.00 C ATOM 652 CD GLU A 46 -5.182 2.392 31.139 1.00 10.00 C ATOM 653 OE1 GLU A 46 -4.932 3.541 31.462 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.309 1.472 31.932 1.00 10.00 O ATOM 0 H GLU A 46 -1.895 1.409 27.877 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.708 0.390 27.826 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.214 1.742 29.657 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -3.709 3.126 28.703 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.008 2.817 29.187 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -5.817 1.107 29.520 1.00 10.00 H new ATOM 661 N TYR A 47 -5.612 1.693 25.947 1.00 10.00 N ATOM 662 CA TYR A 47 -6.117 2.448 24.763 1.00 10.00 C ATOM 663 C TYR A 47 -6.390 3.904 25.147 1.00 10.00 C ATOM 664 O TYR A 47 -6.987 4.184 26.167 1.00 10.00 O ATOM 665 CB TYR A 47 -7.418 1.749 24.363 1.00 10.00 C ATOM 666 CG TYR A 47 -7.211 0.252 24.361 1.00 10.00 C ATOM 667 CD1 TYR A 47 -5.957 -0.282 24.043 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.275 -0.601 24.679 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.765 -1.668 24.044 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.085 -1.988 24.680 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.830 -2.522 24.362 1.00 10.00 C ATOM 672 OH TYR A 47 -6.642 -3.889 24.363 1.00 10.00 O ATOM 0 H TYR A 47 -6.205 0.923 26.257 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.396 2.460 23.945 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.214 2.015 25.059 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.733 2.084 23.375 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.137 0.376 23.797 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.243 -0.189 24.924 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.797 -2.080 23.800 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.906 -2.646 24.926 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.480 -4.334 24.606 1.00 10.00 H new ATOM 682 N ILE A 48 -5.960 4.834 24.342 1.00 10.00 N ATOM 683 CA ILE A 48 -6.201 6.268 24.674 1.00 10.00 C ATOM 684 C ILE A 48 -7.693 6.505 24.932 1.00 10.00 C ATOM 685 O ILE A 48 -8.092 6.877 26.017 1.00 10.00 O ATOM 686 CB ILE A 48 -5.741 7.050 23.443 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.233 6.867 23.252 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.051 8.535 23.642 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.764 7.718 22.071 1.00 10.00 C ATOM 0 H ILE A 48 -5.454 4.666 23.472 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.667 6.577 25.572 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.265 6.680 22.561 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.702 7.159 24.158 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.003 5.817 23.072 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.724 9.095 22.766 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.124 8.668 23.778 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.526 8.901 24.524 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.690 7.589 21.933 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.286 7.405 21.167 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.981 8.768 22.270 1.00 10.00 H new ATOM 701 N LEU A 49 -8.518 6.292 23.944 1.00 10.00 N ATOM 702 CA LEU A 49 -9.982 6.509 24.135 1.00 10.00 C ATOM 703 C LEU A 49 -10.467 5.789 25.398 1.00 10.00 C ATOM 704 O LEU A 49 -11.454 6.165 25.996 1.00 10.00 O ATOM 705 CB LEU A 49 -10.639 5.914 22.889 1.00 10.00 C ATOM 706 CG LEU A 49 -12.140 5.748 23.131 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.775 7.122 23.356 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.783 5.082 21.912 1.00 10.00 C ATOM 0 H LEU A 49 -8.243 5.977 23.013 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.229 7.563 24.260 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.468 6.563 22.030 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.189 4.949 22.654 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.300 5.125 24.011 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.845 7.005 23.529 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.317 7.597 24.224 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.616 7.745 22.476 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.853 4.964 22.084 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.624 5.704 21.031 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.331 4.103 21.751 1.00 10.00 H new ATOM 720 N GLU A 50 -9.778 4.759 25.810 1.00 10.00 N ATOM 721 CA GLU A 50 -10.203 4.024 27.036 1.00 10.00 C ATOM 722 C GLU A 50 -9.767 4.794 28.285 1.00 10.00 C ATOM 723 O GLU A 50 -10.552 5.043 29.179 1.00 10.00 O ATOM 724 CB GLU A 50 -9.491 2.674 26.960 1.00 10.00 C ATOM 725 CG GLU A 50 -9.742 1.889 28.249 1.00 10.00 C ATOM 726 CD GLU A 50 -10.905 0.919 28.039 1.00 50.00 C ATOM 727 OE1 GLU A 50 -10.749 0.000 27.252 1.00 50.00 O ATOM 728 OE2 GLU A 50 -11.933 1.110 28.667 1.00 50.00 O ATOM 0 H GLU A 50 -8.942 4.396 25.352 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.285 3.906 27.094 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.853 2.108 26.101 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.421 2.823 26.815 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.844 1.340 28.534 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -9.969 2.574 29.066 1.00 10.00 H new ATOM 735 N ALA A 51 -8.522 5.180 28.352 1.00 10.00 N ATOM 736 CA ALA A 51 -8.042 5.939 29.542 1.00 10.00 C ATOM 737 C ALA A 51 -8.908 7.181 29.748 1.00 10.00 C ATOM 738 O ALA A 51 -9.205 7.572 30.859 1.00 10.00 O ATOM 739 CB ALA A 51 -6.602 6.334 29.211 1.00 12.50 C ATOM 0 H ALA A 51 -7.818 5.003 27.636 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.097 5.353 30.459 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.179 6.898 30.042 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.008 5.436 29.042 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.591 6.950 28.312 1.00 12.50 H new ATOM 745 N ALA A 52 -9.319 7.799 28.678 1.00 10.00 N ATOM 746 CA ALA A 52 -10.174 9.014 28.795 1.00 10.00 C ATOM 747 C ALA A 52 -11.625 8.610 29.062 1.00 10.00 C ATOM 748 O ALA A 52 -12.394 9.357 29.636 1.00 10.00 O ATOM 749 CB ALA A 52 -10.051 9.717 27.444 1.00 10.00 C ATOM 0 H ALA A 52 -9.099 7.515 27.723 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.867 9.660 29.617 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.654 10.625 27.450 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.008 9.976 27.262 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.403 9.053 26.655 1.00 10.00 H new ATOM 755 N GLU A 53 -12.006 7.431 28.650 1.00 10.00 N ATOM 756 CA GLU A 53 -13.407 6.974 28.882 1.00 10.00 C ATOM 757 C GLU A 53 -13.674 6.840 30.380 1.00 10.00 C ATOM 758 O GLU A 53 -14.737 7.168 30.866 1.00 10.00 O ATOM 759 CB GLU A 53 -13.498 5.611 28.195 1.00 10.00 C ATOM 760 CG GLU A 53 -14.301 5.742 26.900 1.00 10.00 C ATOM 761 CD GLU A 53 -15.043 4.431 26.626 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.449 3.793 27.582 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.192 4.090 25.463 1.00 10.00 O ATOM 0 H GLU A 53 -11.408 6.764 28.163 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.143 7.676 28.490 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -12.498 5.234 27.978 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.974 4.889 28.859 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.012 6.565 26.982 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -13.636 5.977 26.069 1.00 10.00 H new ATOM 770 N ALA A 54 -12.711 6.361 31.113 1.00 10.00 N ATOM 771 CA ALA A 54 -12.896 6.203 32.583 1.00 10.00 C ATOM 772 C ALA A 54 -12.973 7.578 33.251 1.00 10.00 C ATOM 773 O ALA A 54 -13.396 7.706 34.382 1.00 10.00 O ATOM 774 CB ALA A 54 -11.660 5.442 33.059 1.00 50.00 C ATOM 0 H ALA A 54 -11.800 6.071 30.758 1.00 10.00 H new ATOM 0 HA ALA A 54 -13.817 5.675 32.832 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -11.721 5.286 34.136 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -11.610 4.477 32.554 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.765 6.020 32.827 1.00 50.00 H new ATOM 780 N GLN A 55 -12.568 8.607 32.557 1.00 10.00 N ATOM 781 CA GLN A 55 -12.622 9.975 33.150 1.00 10.00 C ATOM 782 C GLN A 55 -13.881 10.704 32.677 1.00 10.00 C ATOM 783 O GLN A 55 -14.156 11.815 33.082 1.00 10.00 O ATOM 784 CB GLN A 55 -11.372 10.684 32.629 1.00 10.00 C ATOM 785 CG GLN A 55 -10.121 9.962 33.134 1.00 10.00 C ATOM 786 CD GLN A 55 -8.879 10.757 32.724 1.00 10.00 C ATOM 787 OE1 GLN A 55 -7.940 10.206 32.186 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.836 12.041 32.957 1.00 10.00 N ATOM 0 H GLN A 55 -12.202 8.560 31.606 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.654 9.951 34.239 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -11.379 10.700 31.539 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.365 11.721 32.963 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.159 9.859 34.218 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.076 8.955 32.719 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.625 12.504 33.409 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.014 12.581 32.687 1.00 10.00 H new ATOM 797 N GLY A 56 -14.645 10.089 31.815 1.00 10.00 N ATOM 798 CA GLY A 56 -15.881 10.751 31.312 1.00 10.00 C ATOM 799 C GLY A 56 -15.517 11.688 30.159 1.00 10.00 C ATOM 800 O GLY A 56 -16.065 12.764 30.021 1.00 10.00 O ATOM 0 H GLY A 56 -14.466 9.158 31.438 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.598 10.002 30.975 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -16.360 11.312 32.115 1.00 10.00 H new ATOM 804 N TYR A 57 -14.593 11.286 29.329 1.00 10.00 N ATOM 805 CA TYR A 57 -14.187 12.151 28.183 1.00 10.00 C ATOM 806 C TYR A 57 -15.037 11.819 26.952 1.00 10.00 C ATOM 807 O TYR A 57 -15.681 10.791 26.890 1.00 10.00 O ATOM 808 CB TYR A 57 -12.716 11.808 27.931 1.00 10.00 C ATOM 809 CG TYR A 57 -11.841 12.484 28.966 1.00 10.00 C ATOM 810 CD1 TYR A 57 -12.397 12.967 30.160 1.00 10.00 C ATOM 811 CD2 TYR A 57 -10.467 12.623 28.732 1.00 10.00 C ATOM 812 CE1 TYR A 57 -11.581 13.587 31.114 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.652 13.244 29.686 1.00 12.50 C ATOM 814 CZ TYR A 57 -10.209 13.725 30.876 1.00 12.50 C ATOM 815 OH TYR A 57 -9.404 14.337 31.815 1.00 12.50 O ATOM 0 H TYR A 57 -14.101 10.395 29.395 1.00 10.00 H new ATOM 0 HA TYR A 57 -14.326 13.212 28.391 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.574 10.728 27.972 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -12.425 12.130 26.931 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -13.456 12.860 30.344 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -10.036 12.251 27.815 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.010 13.958 32.033 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.593 13.352 29.503 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.079 15.191 31.460 1.00 12.50 H new ATOM 825 N ASP A 58 -15.045 12.681 25.971 1.00 10.00 N ATOM 826 CA ASP A 58 -15.854 12.408 24.748 1.00 10.00 C ATOM 827 C ASP A 58 -15.041 12.729 23.491 1.00 10.00 C ATOM 828 O ASP A 58 -14.404 13.760 23.400 1.00 10.00 O ATOM 829 CB ASP A 58 -17.065 13.337 24.860 1.00 10.00 C ATOM 830 CG ASP A 58 -16.594 14.756 25.183 1.00 10.00 C ATOM 831 OD1 ASP A 58 -16.396 15.042 26.352 1.00 10.00 O ATOM 832 OD2 ASP A 58 -16.442 15.534 24.256 1.00 10.00 O ATOM 0 H ASP A 58 -14.528 13.560 25.963 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.149 11.361 24.673 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.627 13.333 23.926 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -17.739 12.980 25.639 1.00 10.00 H new ATOM 837 N TRP A 59 -15.055 11.852 22.523 1.00 10.00 N ATOM 838 CA TRP A 59 -14.276 12.108 21.276 1.00 10.00 C ATOM 839 C TRP A 59 -15.163 11.931 20.041 1.00 10.00 C ATOM 840 O TRP A 59 -15.953 11.011 19.969 1.00 10.00 O ATOM 841 CB TRP A 59 -13.162 11.062 21.286 1.00 10.00 C ATOM 842 CG TRP A 59 -12.500 11.063 22.625 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.025 10.528 23.750 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.206 11.618 23.000 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.137 10.721 24.793 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.001 11.387 24.380 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.201 12.292 22.282 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.839 11.811 25.026 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.032 12.720 22.931 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.851 12.479 24.300 1.00 50.00 C ATOM 0 H TRP A 59 -15.570 10.972 22.541 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.886 13.125 21.239 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.571 10.075 21.070 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.433 11.282 20.506 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.981 10.031 23.823 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.302 10.409 25.750 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.330 12.481 21.226 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -9.705 11.624 26.081 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.267 13.238 22.372 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.948 12.810 24.793 1.00 50.00 H new ATOM 861 N PRO A 60 -14.992 12.824 19.105 1.00 10.00 N ATOM 862 CA PRO A 60 -15.778 12.774 17.850 1.00 10.00 C ATOM 863 C PRO A 60 -15.231 11.684 16.922 1.00 10.00 C ATOM 864 O PRO A 60 -14.282 11.000 17.246 1.00 10.00 O ATOM 865 CB PRO A 60 -15.566 14.155 17.242 1.00 10.00 C ATOM 866 CG PRO A 60 -14.261 14.635 17.800 1.00 10.00 C ATOM 867 CD PRO A 60 -14.060 13.956 19.132 1.00 10.00 C ATOM 0 HA PRO A 60 -16.830 12.539 18.011 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.534 14.105 16.154 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.379 14.831 17.506 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.443 14.396 17.121 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.270 15.718 17.920 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.030 13.621 19.256 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.278 14.631 19.960 1.00 10.00 H new ATOM 1011 N ALA A 72 -11.134 10.957 18.054 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.457 11.738 16.978 1.00 10.00 C ATOM 1013 C ALA A 72 -9.783 12.974 17.576 1.00 10.00 C ATOM 1014 O ALA A 72 -10.438 13.913 17.986 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.579 12.145 16.021 1.00 10.00 C ATOM 0 HA ALA A 72 -9.680 11.165 16.472 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.162 12.726 15.198 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.063 11.251 15.626 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.312 12.748 16.556 1.00 10.00 H new ATOM 1021 N SER A 73 -8.480 12.981 17.639 1.00 10.00 N ATOM 1022 CA SER A 73 -7.771 14.155 18.222 1.00 10.00 C ATOM 1023 C SER A 73 -6.674 14.654 17.277 1.00 10.00 C ATOM 1024 O SER A 73 -6.510 14.161 16.178 1.00 10.00 O ATOM 1025 CB SER A 73 -7.156 13.637 19.523 1.00 50.00 C ATOM 1026 OG SER A 73 -8.096 12.811 20.194 1.00 50.00 O ATOM 0 H SER A 73 -7.876 12.226 17.313 1.00 10.00 H new ATOM 0 HA SER A 73 -8.445 14.995 18.387 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.248 13.074 19.309 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.870 14.473 20.161 1.00 50.00 H new ATOM 0 HG SER A 73 -8.512 13.315 20.924 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.921 15.629 17.708 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.826 16.176 16.863 1.00 10.00 C ATOM 1034 C ILE A 74 -3.511 16.097 17.647 1.00 10.00 C ATOM 1035 O ILE A 74 -3.135 17.014 18.350 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.248 17.630 16.579 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -5.978 17.691 15.235 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -4.026 18.553 16.525 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -7.253 16.847 15.305 1.00 10.00 C ATOM 0 H ILE A 74 -6.021 16.074 18.621 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.668 15.631 15.933 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.904 17.963 17.383 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.226 18.724 14.991 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -5.329 17.323 14.440 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.350 19.574 16.323 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.503 18.520 17.481 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.355 18.222 15.733 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.772 16.891 14.347 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -6.993 15.813 15.529 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -7.904 17.235 16.088 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.818 14.997 17.546 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.540 14.850 18.298 1.00 10.00 C ATOM 1053 C VAL A 75 -0.600 16.018 17.987 1.00 10.00 C ATOM 1054 O VAL A 75 -0.071 16.126 16.899 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.938 13.534 17.807 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.799 13.572 16.284 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.442 13.337 18.439 1.00 50.00 C ATOM 0 H VAL A 75 -3.081 14.193 16.975 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.697 14.850 19.377 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.590 12.709 18.092 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -0.370 12.633 15.934 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.781 13.712 15.832 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -0.147 14.398 15.999 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.872 12.398 18.089 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.094 14.163 18.154 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.345 13.309 19.524 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.385 16.890 18.934 1.00 10.00 N ATOM 1068 CA LYS A 76 0.526 18.045 18.684 1.00 10.00 C ATOM 1069 C LYS A 76 1.981 17.628 18.915 1.00 10.00 C ATOM 1070 O LYS A 76 2.904 18.338 18.569 1.00 10.00 O ATOM 1071 CB LYS A 76 0.104 19.110 19.696 1.00 25.00 C ATOM 1072 CG LYS A 76 -0.212 20.413 18.957 1.00 25.00 C ATOM 1073 CD LYS A 76 -1.727 20.547 18.781 1.00 50.00 C ATOM 1074 CE LYS A 76 -2.028 21.722 17.849 1.00 50.00 C ATOM 1075 NZ LYS A 76 -3.506 21.695 17.661 1.00 50.00 N ATOM 0 H LYS A 76 -0.798 16.854 19.866 1.00 10.00 H new ATOM 0 HA LYS A 76 0.459 18.410 17.659 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.770 18.773 20.253 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.900 19.274 20.422 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.176 21.264 19.517 1.00 25.00 H new ATOM 0 HG3 LYS A 76 0.280 20.420 17.984 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -2.139 19.626 18.368 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -2.204 20.704 19.748 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -1.703 22.666 18.286 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.507 21.615 16.898 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -3.728 21.759 16.647 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -3.888 20.807 18.044 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.934 22.500 18.161 1.00 50.00 H new ATOM 1089 N GLU A 77 2.193 16.477 19.496 1.00 10.00 N ATOM 1090 CA GLU A 77 3.587 16.012 19.748 1.00 10.00 C ATOM 1091 C GLU A 77 3.570 14.636 20.419 1.00 10.00 C ATOM 1092 O GLU A 77 2.528 14.119 20.771 1.00 10.00 O ATOM 1093 CB GLU A 77 4.193 17.058 20.684 1.00 10.00 C ATOM 1094 CG GLU A 77 5.292 17.826 19.946 1.00 10.00 C ATOM 1095 CD GLU A 77 6.625 17.093 20.112 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.711 15.958 19.676 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.537 17.681 20.671 1.00 25.00 O ATOM 0 H GLU A 77 1.460 15.839 19.807 1.00 10.00 H new ATOM 0 HA GLU A 77 4.161 15.910 18.827 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.420 17.746 21.027 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.604 16.574 21.570 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.042 17.914 18.889 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.370 18.839 20.340 1.00 10.00 H new ATOM 1104 N GLY A 78 4.715 14.036 20.596 1.00 10.00 N ATOM 1105 CA GLY A 78 4.762 12.694 21.243 1.00 10.00 C ATOM 1106 C GLY A 78 4.610 11.608 20.177 1.00 10.00 C ATOM 1107 O GLY A 78 5.054 11.758 19.057 1.00 10.00 O ATOM 0 H GLY A 78 5.620 14.417 20.321 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.705 12.568 21.774 1.00 10.00 H new ATOM 0 HA3 GLY A 78 3.966 12.607 21.982 1.00 10.00 H new ATOM 1111 N GLU A 79 3.986 10.512 20.517 1.00 10.00 N ATOM 1112 CA GLU A 79 3.806 9.417 19.521 1.00 10.00 C ATOM 1113 C GLU A 79 2.944 8.298 20.113 1.00 10.00 C ATOM 1114 O GLU A 79 2.978 8.037 21.298 1.00 10.00 O ATOM 1115 CB GLU A 79 5.219 8.909 19.231 1.00 25.00 C ATOM 1116 CG GLU A 79 5.253 8.257 17.849 1.00 25.00 C ATOM 1117 CD GLU A 79 6.704 8.132 17.379 1.00 50.00 C ATOM 1118 OE1 GLU A 79 7.473 9.040 17.648 1.00 50.00 O ATOM 1119 OE2 GLU A 79 7.021 7.131 16.759 1.00 50.00 O ATOM 0 H GLU A 79 3.594 10.328 21.440 1.00 10.00 H new ATOM 0 HA GLU A 79 3.302 9.760 18.617 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.929 9.735 19.273 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.521 8.189 19.992 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.786 7.273 17.888 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.680 8.854 17.139 1.00 25.00 H new ATOM 1126 N ILE A 80 2.175 7.633 19.294 1.00 10.00 N ATOM 1127 CA ILE A 80 1.313 6.530 19.811 1.00 10.00 C ATOM 1128 C ILE A 80 1.592 5.238 19.038 1.00 10.00 C ATOM 1129 O ILE A 80 2.035 5.264 17.907 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.121 7.000 19.569 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.374 8.296 20.342 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.097 5.923 20.049 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.184 9.259 19.470 1.00 50.00 C ATOM 0 H ILE A 80 2.106 7.805 18.291 1.00 10.00 H new ATOM 0 HA ILE A 80 1.499 6.318 20.864 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.268 7.179 18.504 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.913 8.082 21.265 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.574 8.754 20.625 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.120 6.257 19.877 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -0.919 4.999 19.498 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -0.947 5.745 21.114 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.365 10.183 20.020 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -0.627 9.481 18.560 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.137 8.799 19.209 1.00 50.00 H new ATOM 1145 N ASP A 81 1.334 4.108 19.638 1.00 10.00 N ATOM 1146 CA ASP A 81 1.586 2.818 18.933 1.00 10.00 C ATOM 1147 C ASP A 81 0.311 1.970 18.916 1.00 10.00 C ATOM 1148 O ASP A 81 -0.302 1.731 19.938 1.00 10.00 O ATOM 1149 CB ASP A 81 2.681 2.129 19.747 1.00 10.00 C ATOM 1150 CG ASP A 81 3.760 1.594 18.801 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.504 0.596 18.147 1.00 10.00 O ATOM 1152 OD2 ASP A 81 4.821 2.192 18.745 1.00 10.00 O ATOM 0 H ASP A 81 0.961 4.022 20.583 1.00 10.00 H new ATOM 0 HA ASP A 81 1.884 2.964 17.895 1.00 10.00 H new ATOM 0 HB2 ASP A 81 3.119 2.832 20.455 1.00 10.00 H new ATOM 0 HB3 ASP A 81 2.256 1.312 20.330 1.00 10.00 H new ATOM 1157 N MET A 82 -0.094 1.515 17.761 1.00 12.50 N ATOM 1158 CA MET A 82 -1.331 0.684 17.677 1.00 12.50 C ATOM 1159 C MET A 82 -1.123 -0.484 16.711 1.00 12.50 C ATOM 1160 O MET A 82 -0.016 -0.783 16.309 1.00 12.50 O ATOM 1161 CB MET A 82 -2.410 1.632 17.151 1.00 12.50 C ATOM 1162 CG MET A 82 -2.166 1.907 15.665 1.00 12.50 C ATOM 1163 SD MET A 82 -3.142 3.341 15.148 1.00 12.50 S ATOM 1164 CE MET A 82 -1.753 4.450 14.810 1.00 50.00 C ATOM 0 H MET A 82 0.377 1.682 16.872 1.00 12.50 H new ATOM 0 HA MET A 82 -1.603 0.251 18.640 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.397 1.192 17.293 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.394 2.566 17.712 1.00 12.50 H new ATOM 0 HG2 MET A 82 -1.107 2.092 15.488 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.441 1.034 15.073 1.00 12.50 H new ATOM 0 HE1 MET A 82 -2.131 5.414 14.470 1.00 50.00 H new ATOM 0 HE2 MET A 82 -1.169 4.589 15.720 1.00 50.00 H new ATOM 0 HE3 MET A 82 -1.121 4.015 14.036 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.182 -1.146 16.337 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.054 -2.296 15.398 1.00 50.00 C ATOM 1176 C ASP A 83 -1.730 -1.798 13.987 1.00 50.00 C ATOM 1177 O ASP A 83 -1.663 -0.611 13.735 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.420 -2.982 15.423 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.255 -4.463 15.077 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.591 -5.157 15.830 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.795 -4.879 14.064 1.00 50.00 O ATOM 0 H ASP A 83 -3.133 -0.940 16.642 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.251 -2.974 15.686 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.874 -2.876 16.409 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.092 -2.504 14.710 1.00 50.00 H new ATOM 1275 N SER A 89 -1.845 8.030 7.163 1.00 12.50 N ATOM 1276 CA SER A 89 -0.925 8.735 6.224 1.00 12.50 C ATOM 1277 C SER A 89 -0.011 9.693 6.992 1.00 12.50 C ATOM 1278 O SER A 89 -0.469 10.570 7.699 1.00 12.50 O ATOM 1279 CB SER A 89 -1.844 9.511 5.281 1.00 12.50 C ATOM 1280 OG SER A 89 -1.724 8.988 3.967 1.00 12.50 O ATOM 0 HA SER A 89 -0.276 8.044 5.686 1.00 12.50 H new ATOM 0 HB2 SER A 89 -2.877 9.437 5.620 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.581 10.569 5.288 1.00 12.50 H new ATOM 0 HG SER A 89 -2.314 9.484 3.362 1.00 12.50 H new ATOM 1286 N ASP A 90 1.276 9.536 6.855 1.00 10.00 N ATOM 1287 CA ASP A 90 2.215 10.442 7.575 1.00 10.00 C ATOM 1288 C ASP A 90 1.762 11.893 7.417 1.00 10.00 C ATOM 1289 O ASP A 90 1.622 12.622 8.379 1.00 10.00 O ATOM 1290 CB ASP A 90 3.573 10.226 6.904 1.00 10.00 C ATOM 1291 CG ASP A 90 4.691 10.524 7.905 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.409 11.163 8.905 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.811 10.110 7.653 1.00 10.00 O ATOM 0 H ASP A 90 1.718 8.821 6.277 1.00 10.00 H new ATOM 0 HA ASP A 90 2.256 10.233 8.644 1.00 10.00 H new ATOM 0 HB2 ASP A 90 3.655 9.199 6.547 1.00 10.00 H new ATOM 0 HB3 ASP A 90 3.668 10.875 6.033 1.00 10.00 H new ATOM 1298 N GLU A 91 1.524 12.312 6.207 1.00 12.50 N ATOM 1299 CA GLU A 91 1.070 13.712 5.978 1.00 12.50 C ATOM 1300 C GLU A 91 -0.170 13.995 6.825 1.00 12.50 C ATOM 1301 O GLU A 91 -0.434 15.118 7.208 1.00 12.50 O ATOM 1302 CB GLU A 91 0.734 13.780 4.488 1.00 12.50 C ATOM 1303 CG GLU A 91 0.415 15.226 4.100 1.00 12.50 C ATOM 1304 CD GLU A 91 1.361 15.674 2.983 1.00 50.00 C ATOM 1305 OE1 GLU A 91 2.511 15.949 3.282 1.00 50.00 O ATOM 1306 OE2 GLU A 91 0.918 15.732 1.848 1.00 50.00 O ATOM 0 H GLU A 91 1.624 11.745 5.365 1.00 12.50 H new ATOM 0 HA GLU A 91 1.824 14.449 6.255 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.573 13.411 3.898 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.118 13.137 4.267 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -0.620 15.305 3.768 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.523 15.879 4.966 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.930 12.980 7.124 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.152 13.178 7.953 1.00 10.00 C ATOM 1315 C GLU A 92 -1.760 13.698 9.338 1.00 10.00 C ATOM 1316 O GLU A 92 -2.319 14.655 9.836 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.783 11.789 8.059 1.00 50.00 C ATOM 1318 CG GLU A 92 -4.291 11.925 8.288 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.793 10.719 9.086 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -3.983 10.094 9.750 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.979 10.441 9.018 1.00 50.00 O ATOM 0 H GLU A 92 -0.758 12.019 6.830 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.840 13.905 7.520 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.593 11.222 7.148 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.329 11.234 8.880 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.507 12.847 8.827 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.812 11.985 7.332 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.797 13.073 9.960 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.358 13.529 11.311 1.00 10.00 C ATOM 1330 C VAL A 93 0.573 14.736 11.178 1.00 10.00 C ATOM 1331 O VAL A 93 0.570 15.632 11.998 1.00 10.00 O ATOM 1332 CB VAL A 93 0.393 12.336 11.905 1.00 10.00 C ATOM 1333 CG1 VAL A 93 0.935 12.711 13.286 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -0.559 11.146 12.036 1.00 10.00 C ATOM 0 H VAL A 93 -0.295 12.266 9.591 1.00 10.00 H new ATOM 0 HA VAL A 93 -1.194 13.837 11.939 1.00 10.00 H new ATOM 0 HB VAL A 93 1.222 12.066 11.250 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.470 11.861 13.710 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.615 13.558 13.192 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.107 12.981 13.941 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -0.023 10.296 12.459 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -1.389 11.414 12.690 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.944 10.878 11.052 1.00 10.00 H new ATOM 1344 N GLU A 94 1.375 14.759 10.148 1.00 12.50 N ATOM 1345 CA GLU A 94 2.315 15.901 9.954 1.00 12.50 C ATOM 1346 C GLU A 94 1.555 17.143 9.481 1.00 12.50 C ATOM 1347 O GLU A 94 1.993 18.260 9.673 1.00 12.50 O ATOM 1348 CB GLU A 94 3.286 15.426 8.873 1.00 12.50 C ATOM 1349 CG GLU A 94 4.697 15.923 9.195 1.00 12.50 C ATOM 1350 CD GLU A 94 5.686 15.333 8.186 1.00 12.50 C ATOM 1351 OE1 GLU A 94 5.597 15.688 7.022 1.00 12.50 O ATOM 1352 OE2 GLU A 94 6.516 14.538 8.596 1.00 12.50 O ATOM 0 H GLU A 94 1.420 14.035 9.431 1.00 12.50 H new ATOM 0 HA GLU A 94 2.826 16.177 10.876 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.277 14.338 8.815 1.00 12.50 H new ATOM 0 HB3 GLU A 94 2.972 15.799 7.898 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.728 17.012 9.158 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.975 15.631 10.207 1.00 12.50 H new ATOM 1359 N GLU A 95 0.423 16.958 8.858 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.356 18.131 8.366 1.00 12.50 C ATOM 1361 C GLU A 95 -1.614 18.340 9.216 1.00 12.50 C ATOM 1362 O GLU A 95 -2.028 19.457 9.458 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.733 17.778 6.926 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.378 18.990 6.255 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.742 19.210 4.881 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -0.633 18.247 4.140 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.377 20.338 4.593 1.00 50.00 O ATOM 0 H GLU A 95 0.004 16.047 8.668 1.00 12.50 H new ATOM 0 HA GLU A 95 0.217 19.057 8.426 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.154 17.472 6.372 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.423 16.934 6.916 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -2.451 18.833 6.150 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -1.245 19.876 6.875 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.229 17.281 9.668 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.462 17.435 10.497 1.00 25.00 C ATOM 1376 C LYS A 96 -3.229 16.907 11.917 1.00 25.00 C ATOM 1377 O LYS A 96 -4.012 17.151 12.814 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.525 16.600 9.783 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.764 17.462 9.521 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.950 17.647 8.014 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.546 19.069 7.621 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.779 19.672 7.042 1.00 25.00 N ATOM 0 H LYS A 96 -1.934 16.319 9.501 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.758 18.479 10.597 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -4.130 16.217 8.842 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -4.792 15.736 10.391 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.647 16.989 9.951 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.654 18.432 10.006 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.344 16.922 7.470 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -6.989 17.464 7.740 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -5.198 19.634 8.486 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -4.732 19.062 6.896 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -6.582 20.650 6.748 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.082 19.117 6.217 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -7.535 19.671 7.757 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.161 16.189 12.131 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.885 15.649 13.496 1.00 10.00 C ATOM 1398 C ASP A 97 -3.034 14.750 13.956 1.00 10.00 C ATOM 1399 O ASP A 97 -3.152 14.426 15.121 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.786 16.878 14.399 1.00 50.00 C ATOM 1401 CG ASP A 97 -0.318 17.273 14.566 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.534 16.468 14.225 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -0.069 18.373 15.031 1.00 50.00 O ATOM 0 H ASP A 97 -1.467 15.952 11.422 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.977 15.046 13.519 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.349 17.705 13.968 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -2.229 16.664 15.372 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.888 14.349 13.054 1.00 10.00 N ATOM 1409 CA VAL A 98 -5.030 13.477 13.451 1.00 10.00 C ATOM 1410 C VAL A 98 -4.585 12.014 13.525 1.00 10.00 C ATOM 1411 O VAL A 98 -4.080 11.459 12.569 1.00 10.00 O ATOM 1412 CB VAL A 98 -6.075 13.664 12.353 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -5.485 13.233 11.009 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -7.302 12.806 12.668 1.00 50.00 C ATOM 0 H VAL A 98 -3.845 14.586 12.063 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.421 13.738 14.435 1.00 10.00 H new ATOM 0 HB VAL A 98 -6.366 14.713 12.303 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.230 13.366 10.225 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -4.609 13.842 10.784 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -5.195 12.184 11.059 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -8.049 12.938 11.885 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -7.010 11.757 12.717 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -7.723 13.111 13.626 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.772 11.386 14.652 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.366 9.958 14.790 1.00 10.00 C ATOM 1426 C ARG A 99 -5.607 9.074 14.928 1.00 10.00 C ATOM 1427 O ARG A 99 -6.628 9.322 14.317 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.527 9.906 16.067 1.00 50.00 C ATOM 1429 CG ARG A 99 -2.395 8.892 15.893 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.173 9.590 15.293 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.033 8.674 15.574 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.770 8.317 14.609 1.00 50.00 C ATOM 1433 NH1 ARG A 99 2.008 8.729 14.603 1.00 50.00 N ATOM 1434 NH2 ARG A 99 0.333 7.547 13.650 1.00 50.00 N ATOM 0 H ARG A 99 -5.189 11.800 15.486 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.810 9.598 13.924 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.116 10.892 16.285 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -4.153 9.627 16.915 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.138 8.449 16.855 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.718 8.078 15.243 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.296 9.751 14.222 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -1.015 10.569 15.746 1.00 50.00 H new ATOM 0 HE ARG A 99 0.120 8.326 16.520 1.00 50.00 H new ATOM 0 HH11 ARG A 99 2.349 9.331 15.353 1.00 50.00 H new ATOM 0 HH12 ARG A 99 2.635 8.449 13.848 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -0.635 7.225 13.655 1.00 50.00 H new ATOM 0 HH22 ARG A 99 0.959 7.267 12.895 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.532 8.047 15.729 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.711 7.153 15.908 1.00 10.00 C ATOM 1450 C LEU A 100 -7.152 7.152 17.374 1.00 10.00 C ATOM 1451 O LEU A 100 -8.298 7.402 17.689 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.227 5.763 15.493 1.00 10.00 C ATOM 1453 CG LEU A 100 -7.160 5.197 14.421 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.746 5.732 13.049 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.070 3.670 14.419 1.00 10.00 C ATOM 0 H LEU A 100 -4.705 7.788 16.267 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.567 7.477 15.316 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.208 5.820 15.110 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.205 5.100 16.358 1.00 10.00 H new ATOM 0 HG LEU A 100 -8.184 5.501 14.636 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -7.411 5.329 12.285 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.810 6.820 13.048 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.721 5.429 12.834 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.735 3.267 13.655 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -6.045 3.366 14.205 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.365 3.287 15.396 1.00 10.00 H new ATOM 1467 N THR A 101 -6.246 6.874 18.272 1.00 10.00 N ATOM 1468 CA THR A 101 -6.608 6.859 19.719 1.00 10.00 C ATOM 1469 C THR A 101 -7.863 6.012 19.943 1.00 10.00 C ATOM 1470 O THR A 101 -8.585 6.198 20.902 1.00 10.00 O ATOM 1471 CB THR A 101 -6.873 8.322 20.085 1.00 10.00 C ATOM 1472 OG1 THR A 101 -8.158 8.703 19.615 1.00 10.00 O ATOM 1473 CG2 THR A 101 -5.809 9.217 19.444 1.00 10.00 C ATOM 0 H THR A 101 -5.271 6.657 18.067 1.00 10.00 H new ATOM 0 HA THR A 101 -5.819 6.426 20.334 1.00 10.00 H new ATOM 0 HB THR A 101 -6.833 8.434 21.168 1.00 10.00 H new ATOM 0 HG1 THR A 101 -8.420 8.122 18.870 1.00 10.00 H new ATOM 0 HG21 THR A 101 -6.002 10.257 19.707 1.00 10.00 H new ATOM 0 HG22 THR A 101 -4.823 8.927 19.807 1.00 10.00 H new ATOM 0 HG23 THR A 101 -5.844 9.105 18.360 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.126 5.079 19.068 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.334 4.220 19.237 1.00 10.00 C ATOM 1483 C CYS A 102 -8.986 3.000 20.096 1.00 10.00 C ATOM 1484 O CYS A 102 -9.659 2.696 21.061 1.00 10.00 O ATOM 1485 CB CYS A 102 -9.727 3.786 17.820 1.00 10.00 C ATOM 1486 SG CYS A 102 -9.618 5.199 16.690 1.00 10.00 S ATOM 0 H CYS A 102 -7.558 4.875 18.245 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.149 4.746 19.735 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -9.070 2.986 17.480 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -10.741 3.387 17.821 1.00 10.00 H new ATOM 0 HG CYS A 102 -9.337 6.274 17.365 1.00 10.00 H new ATOM 1491 N ILE A 103 -7.933 2.307 19.757 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.534 1.112 20.557 1.00 10.00 C ATOM 1493 C ILE A 103 -6.013 0.945 20.528 1.00 10.00 C ATOM 1494 O ILE A 103 -5.501 -0.154 20.436 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.213 -0.075 19.875 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.730 0.112 19.909 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -7.841 -1.362 20.615 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.405 -1.093 19.251 1.00 50.00 C ATOM 0 H ILE A 103 -7.331 2.516 18.961 1.00 10.00 H new ATOM 0 HA ILE A 103 -7.829 1.201 21.603 1.00 10.00 H new ATOM 0 HB ILE A 103 -7.881 -0.138 18.839 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.072 0.217 20.939 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.006 1.028 19.387 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.323 -2.212 20.132 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.760 -1.496 20.590 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.175 -1.296 21.650 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -11.487 -0.962 19.274 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -10.072 -1.177 18.217 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.138 -2.000 19.793 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.285 2.025 20.604 1.00 10.00 N ATOM 1511 CA GLY A 104 -3.800 1.923 20.578 1.00 10.00 C ATOM 1512 C GLY A 104 -3.225 2.500 21.873 1.00 10.00 C ATOM 1513 O GLY A 104 -3.921 3.123 22.651 1.00 10.00 O ATOM 0 H GLY A 104 -5.654 2.972 20.683 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.499 0.881 20.466 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -3.403 2.464 19.719 1.00 10.00 H new ATOM 1517 N SER A 105 -1.958 2.297 22.109 1.00 10.00 N ATOM 1518 CA SER A 105 -1.335 2.833 23.353 1.00 10.00 C ATOM 1519 C SER A 105 -0.317 3.921 23.002 1.00 10.00 C ATOM 1520 O SER A 105 0.236 3.927 21.920 1.00 10.00 O ATOM 1521 CB SER A 105 -0.638 1.633 24.002 1.00 10.00 C ATOM 1522 OG SER A 105 -0.648 0.531 23.105 1.00 10.00 O ATOM 0 H SER A 105 -1.327 1.783 21.494 1.00 10.00 H new ATOM 0 HA SER A 105 -2.068 3.284 24.021 1.00 10.00 H new ATOM 0 HB2 SER A 105 0.388 1.893 24.262 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.144 1.364 24.929 1.00 10.00 H new ATOM 0 HG SER A 105 -0.200 -0.234 23.522 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.106 4.808 23.935 1.00 10.00 N ATOM 1529 CA PRO A 106 0.855 5.918 23.726 1.00 10.00 C ATOM 1530 C PRO A 106 2.294 5.396 23.776 1.00 10.00 C ATOM 1531 O PRO A 106 2.577 4.388 24.394 1.00 10.00 O ATOM 1532 CB PRO A 106 0.577 6.858 24.895 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.016 5.987 25.959 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.737 4.863 25.259 1.00 10.00 C ATOM 0 HA PRO A 106 0.742 6.406 22.758 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.492 7.338 25.242 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.111 7.653 24.607 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.762 5.596 26.615 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.704 6.556 26.584 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -0.623 3.921 25.795 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -1.806 5.060 25.184 1.00 10.00 H new ATOM 1542 N ALA A 107 3.204 6.073 23.130 1.00 10.00 N ATOM 1543 CA ALA A 107 4.621 5.614 23.143 1.00 10.00 C ATOM 1544 C ALA A 107 5.487 6.586 23.945 1.00 10.00 C ATOM 1545 O ALA A 107 5.901 6.300 25.050 1.00 10.00 O ATOM 1546 CB ALA A 107 5.048 5.605 21.675 1.00 50.00 C ATOM 0 H ALA A 107 3.027 6.923 22.595 1.00 10.00 H new ATOM 0 HA ALA A 107 4.731 4.634 23.607 1.00 10.00 H new ATOM 0 HB1 ALA A 107 6.085 5.277 21.600 1.00 50.00 H new ATOM 0 HB2 ALA A 107 4.409 4.922 21.115 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.955 6.610 21.263 1.00 50.00 H new ATOM 1552 N ALA A 108 5.763 7.733 23.394 1.00 10.00 N ATOM 1553 CA ALA A 108 6.604 8.727 24.121 1.00 10.00 C ATOM 1554 C ALA A 108 6.033 8.980 25.519 1.00 10.00 C ATOM 1555 O ALA A 108 4.863 8.774 25.769 1.00 10.00 O ATOM 1556 CB ALA A 108 6.534 9.999 23.275 1.00 50.00 C ATOM 0 H ALA A 108 5.443 8.027 22.471 1.00 10.00 H new ATOM 0 HA ALA A 108 7.629 8.382 24.254 1.00 10.00 H new ATOM 0 HB1 ALA A 108 7.130 10.782 23.745 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.924 9.795 22.278 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.498 10.329 23.198 1.00 50.00 H new ATOM 1562 N ASP A 109 6.852 9.426 26.434 1.00 50.00 N ATOM 1563 CA ASP A 109 6.352 9.692 27.814 1.00 50.00 C ATOM 1564 C ASP A 109 5.303 10.806 27.788 1.00 50.00 C ATOM 1565 O ASP A 109 4.186 10.631 28.232 1.00 50.00 O ATOM 1566 CB ASP A 109 7.584 10.134 28.603 1.00 50.00 C ATOM 1567 CG ASP A 109 7.195 10.365 30.064 1.00 50.00 C ATOM 1568 OD1 ASP A 109 6.089 10.826 30.295 1.00 50.00 O ATOM 1569 OD2 ASP A 109 8.007 10.075 30.927 1.00 50.00 O ATOM 0 H ASP A 109 7.843 9.617 26.286 1.00 50.00 H new ATOM 0 HA ASP A 109 5.877 8.817 28.258 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.363 9.374 28.538 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.995 11.049 28.175 1.00 50.00 H new ATOM 1574 N GLU A 110 5.654 11.949 27.267 1.00 10.00 N ATOM 1575 CA GLU A 110 4.677 13.072 27.206 1.00 10.00 C ATOM 1576 C GLU A 110 4.146 13.223 25.780 1.00 10.00 C ATOM 1577 O GLU A 110 4.880 13.535 24.863 1.00 10.00 O ATOM 1578 CB GLU A 110 5.470 14.313 27.617 1.00 10.00 C ATOM 1579 CG GLU A 110 4.507 15.378 28.149 1.00 10.00 C ATOM 1580 CD GLU A 110 4.799 15.634 29.629 1.00 50.00 C ATOM 1581 OE1 GLU A 110 4.376 14.832 30.444 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.440 16.630 29.922 1.00 50.00 O ATOM 0 H GLU A 110 6.576 12.154 26.881 1.00 10.00 H new ATOM 0 HA GLU A 110 3.816 12.909 27.854 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.202 14.054 28.382 1.00 10.00 H new ATOM 0 HB3 GLU A 110 6.025 14.703 26.764 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.618 16.301 27.580 1.00 10.00 H new ATOM 0 HG3 GLU A 110 3.476 15.048 28.022 1.00 10.00 H new ATOM 1589 N VAL A 111 2.878 12.995 25.580 1.00 10.00 N ATOM 1590 CA VAL A 111 2.309 13.118 24.209 1.00 10.00 C ATOM 1591 C VAL A 111 1.322 14.284 24.142 1.00 10.00 C ATOM 1592 O VAL A 111 0.452 14.424 24.979 1.00 10.00 O ATOM 1593 CB VAL A 111 1.588 11.793 23.957 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.313 11.641 22.459 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.464 10.634 24.434 1.00 12.50 C ATOM 0 H VAL A 111 2.212 12.729 26.305 1.00 10.00 H new ATOM 0 HA VAL A 111 3.079 13.313 23.463 1.00 10.00 H new ATOM 0 HB VAL A 111 0.645 11.783 24.504 1.00 12.50 H new ATOM 0 HG11 VAL A 111 0.799 10.697 22.277 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.688 12.466 22.118 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.256 11.651 21.913 1.00 12.50 H new ATOM 0 HG21 VAL A 111 1.949 9.690 24.254 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.407 10.642 23.888 1.00 12.50 H new ATOM 0 HG23 VAL A 111 2.661 10.742 25.501 1.00 12.50 H new ATOM 1605 N LYS A 112 1.445 15.118 23.146 1.00 10.00 N ATOM 1606 CA LYS A 112 0.510 16.269 23.017 1.00 10.00 C ATOM 1607 C LYS A 112 -0.566 15.949 21.980 1.00 10.00 C ATOM 1608 O LYS A 112 -0.283 15.428 20.919 1.00 10.00 O ATOM 1609 CB LYS A 112 1.374 17.439 22.545 1.00 25.00 C ATOM 1610 CG LYS A 112 2.583 17.587 23.469 1.00 25.00 C ATOM 1611 CD LYS A 112 2.739 19.056 23.869 1.00 25.00 C ATOM 1612 CE LYS A 112 3.913 19.671 23.103 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.817 20.207 24.158 1.00 25.00 N ATOM 0 H LYS A 112 2.154 15.051 22.416 1.00 10.00 H new ATOM 0 HA LYS A 112 0.001 16.495 23.954 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.705 17.270 21.520 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.789 18.359 22.544 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.454 16.968 24.357 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.485 17.238 22.966 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.822 19.603 23.651 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.910 19.136 24.943 1.00 25.00 H new ATOM 0 HE2 LYS A 112 4.419 18.925 22.490 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.577 20.461 22.431 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.648 20.646 23.713 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.309 20.919 24.721 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 5.126 19.431 24.778 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.797 16.256 22.275 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.885 15.967 21.301 1.00 10.00 C ATOM 1629 C ILE A 113 -4.112 16.822 21.609 1.00 10.00 C ATOM 1630 O ILE A 113 -4.332 17.234 22.731 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.209 14.484 21.485 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.195 14.039 20.403 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.836 14.267 22.864 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.589 12.888 19.599 1.00 10.00 C ATOM 0 H ILE A 113 -2.097 16.694 23.146 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.587 16.193 20.277 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.292 13.899 21.405 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.133 13.723 20.859 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.427 14.874 19.743 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -4.067 13.210 22.996 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.135 14.584 23.636 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.752 14.852 22.943 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.293 12.572 18.829 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.663 13.220 19.130 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.379 12.050 20.264 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.913 17.087 20.619 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.132 17.914 20.846 1.00 10.00 C ATOM 1648 C VAL A 114 -7.388 17.060 20.628 1.00 10.00 C ATOM 1649 O VAL A 114 -7.558 16.441 19.597 1.00 10.00 O ATOM 1650 CB VAL A 114 -6.019 19.060 19.822 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.351 19.287 19.099 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -5.626 20.347 20.550 1.00 50.00 C ATOM 0 H VAL A 114 -4.778 16.767 19.660 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.209 18.303 21.861 1.00 10.00 H new ATOM 0 HB VAL A 114 -5.263 18.789 19.085 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.242 20.101 18.383 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.639 18.377 18.573 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -8.121 19.545 19.827 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -5.544 21.162 19.830 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -6.386 20.592 21.291 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.667 20.205 21.048 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.268 17.022 21.594 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.508 16.206 21.438 1.00 10.00 C ATOM 1664 C TYR A 115 -10.609 17.043 20.770 1.00 10.00 C ATOM 1665 O TYR A 115 -10.499 18.246 20.645 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.883 15.778 22.871 1.00 50.00 C ATOM 1667 CG TYR A 115 -11.001 16.633 23.429 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.799 18.001 23.649 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.241 16.052 23.725 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.837 18.786 24.164 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.278 16.840 24.240 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.075 18.207 24.459 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.097 18.983 24.967 1.00 50.00 O ATOM 0 H TYR A 115 -8.182 17.519 22.481 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.370 15.335 20.797 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.188 14.732 22.871 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -9.008 15.855 23.516 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.843 18.450 23.422 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.397 14.997 23.556 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.681 19.841 24.334 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.234 16.393 24.468 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.734 19.611 25.626 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.668 16.412 20.335 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.772 17.169 19.670 1.00 10.00 C ATOM 1685 C ASN A 116 -12.305 17.705 18.314 1.00 10.00 C ATOM 1686 O ASN A 116 -12.513 18.857 17.989 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.102 18.325 20.615 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.559 18.212 21.071 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.226 17.240 20.776 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.084 19.172 21.783 1.00 10.00 N ATOM 0 H ASN A 116 -11.817 15.406 20.411 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.642 16.539 19.484 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.437 18.304 21.478 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.940 19.278 20.111 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.054 19.106 22.092 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.524 19.988 22.031 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.675 16.883 17.521 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.199 17.352 16.188 1.00 10.00 C ATOM 1699 C ALA A 117 -12.391 17.656 15.277 1.00 10.00 C ATOM 1700 O ALA A 117 -12.245 18.243 14.225 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.376 16.193 15.628 1.00 50.00 C ATOM 0 H ALA A 117 -11.469 15.908 17.737 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.613 18.268 16.259 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.990 16.463 14.645 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.544 15.980 16.299 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.006 15.308 15.540 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.570 17.262 15.675 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.768 17.533 14.829 1.00 12.50 C ATOM 1709 C LYS A 118 -14.900 19.036 14.574 1.00 12.50 C ATOM 1710 O LYS A 118 -15.602 19.465 13.679 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.954 17.023 15.647 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.981 17.728 17.004 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.426 18.060 17.377 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.017 19.002 16.326 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.192 19.630 16.992 1.00 50.00 N ATOM 0 H LYS A 118 -13.756 16.766 16.547 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.707 17.047 13.855 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.885 17.208 15.111 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.876 15.945 15.787 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.535 17.090 17.766 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.386 18.640 16.964 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -18.017 17.146 17.436 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.461 18.527 18.361 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.291 19.753 16.016 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.315 18.457 15.430 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.652 20.291 16.334 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.869 18.891 17.270 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -18.877 20.147 17.838 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.226 19.838 15.352 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.309 21.312 15.157 1.00 50.00 C ATOM 1728 C HIS A 119 -13.547 21.718 13.893 1.00 50.00 C ATOM 1729 O HIS A 119 -13.798 22.754 13.310 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.648 21.907 16.400 1.00 50.00 C ATOM 1731 CG HIS A 119 -14.553 21.723 17.588 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -15.891 22.084 17.563 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.326 21.217 18.846 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.413 21.795 18.769 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.502 21.264 19.589 1.00 50.00 N ATOM 0 H HIS A 119 -13.621 19.535 16.115 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.334 21.661 15.034 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -12.689 21.422 16.582 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.445 22.967 16.245 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -16.390 22.494 16.773 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.379 20.840 19.203 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.443 21.971 19.041 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.615 20.908 13.467 1.00 12.50 N ATOM 1744 CA LEU A 120 -11.834 21.243 12.240 1.00 12.50 C ATOM 1745 C LEU A 120 -12.758 21.812 11.159 1.00 12.50 C ATOM 1746 O LEU A 120 -13.609 21.123 10.632 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.230 19.915 11.780 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.705 20.031 11.740 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.111 19.374 12.989 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.174 19.326 10.492 1.00 12.50 C ATOM 0 H LEU A 120 -12.360 20.028 13.916 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.070 21.996 12.433 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.526 19.115 12.458 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.611 19.653 10.793 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.420 21.083 11.712 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.024 19.456 12.961 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.490 19.876 13.879 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.395 18.322 13.017 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.087 19.408 10.462 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.458 18.274 10.520 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.597 19.793 9.603 1.00 12.50 H new