USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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: B 20 SER OG : rot 180:sc=-0.00491 USER MOD Set 1.2: B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 70:sc= 1.04 USER MOD Set 2.2: B 18 THR OG1 : rot 71:sc= 1.18 USER MOD Set 3.1: A 75 GLN : amide:sc= -0.261 X(o=-0.3,f=-0.6) USER MOD Set 3.2: A 88 LYS NZ :NH3+ -146:sc= -0.0349 (180deg=0) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -4.71! C(o=-5!,f=-11!) USER MOD Set 4.2: A 46 THR OG1 : rot 57:sc= 0.72 USER MOD Set 4.3: A 52 LYS NZ :NH3+ -122:sc= -0.99! (180deg=-0.875) USER MOD Set 5.1: A 19 SER OG : rot 80:sc= -0.0455 USER MOD Set 5.2: A 22 HIS : no HD1:sc= -0.438 K(o=-1.9,f=-2.5) USER MOD Set 5.3: A 31 CYS SG : rot 169:sc= -1.64 USER MOD Set 5.4: A 36 CYS SG : rot -140:sc= 0.255 USER MOD Single : A 8 SER OG : rot 130:sc= -0.271 USER MOD Single : A 14 GLN : amide:sc= -0.442 K(o=-0.44,f=-2.3) USER MOD Single : A 18 GLN : amide:sc=-0.00409 K(o=-0.0041,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= -5.82! C(o=-5.8!,f=-3.6!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0325 USER MOD Single : A 28 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.7) USER MOD Single : A 30 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00479 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 38 LYS NZ :NH3+ -119:sc= 0.786 (180deg=-6.23!) USER MOD Single : A 39 MET CE :methyl -150:sc= -0.135 (180deg=-1.63) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -6.45! (180deg=-6.83!) USER MOD Single : A 44 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.993 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 85:sc= 0.487 USER MOD Single : A 54 ASN : amide:sc= -1.56! C(o=-1.6!,f=-3.7!) USER MOD Single : A 57 CYS SG : rot 52:sc= -2.8 USER MOD Single : A 60 CYS SG : rot -90:sc= -10.2! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.93) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 74 CYS SG : rot -71:sc= 0.117 USER MOD Single : A 77 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -69:sc= -2.21! USER MOD Single : A 86 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.4!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 -9.453 -6.712 14.983 1.00 0.00 N ATOM 56 CA PRO A 5 -8.427 -7.012 13.961 1.00 0.00 C ATOM 57 C PRO A 5 -8.978 -6.665 12.603 1.00 0.00 C ATOM 58 O PRO A 5 -8.281 -6.145 11.737 1.00 0.00 O ATOM 59 CB PRO A 5 -8.193 -8.517 14.117 1.00 0.00 C ATOM 60 CG PRO A 5 -8.538 -8.771 15.536 1.00 0.00 C ATOM 61 CD PRO A 5 -9.751 -7.892 15.799 1.00 0.00 C ATOM 0 HA PRO A 5 -7.500 -6.450 14.072 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.823 -9.094 13.440 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.160 -8.788 13.900 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.766 -9.823 15.706 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.711 -8.513 16.197 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.679 -8.375 15.494 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.853 -7.643 16.855 1.00 0.00 H new ATOM 69 N GLY A 6 -10.261 -6.940 12.450 1.00 0.00 N ATOM 70 CA GLY A 6 -10.944 -6.646 11.214 1.00 0.00 C ATOM 71 C GLY A 6 -10.851 -5.157 10.935 1.00 0.00 C ATOM 72 O GLY A 6 -10.714 -4.725 9.793 1.00 0.00 O ATOM 0 H GLY A 6 -10.846 -7.366 13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.498 -7.210 10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.988 -6.951 11.280 1.00 0.00 H new ATOM 76 N ASP A 7 -10.886 -4.379 12.010 1.00 0.00 N ATOM 77 CA ASP A 7 -10.775 -2.933 11.900 1.00 0.00 C ATOM 78 C ASP A 7 -9.307 -2.560 11.815 1.00 0.00 C ATOM 79 O ASP A 7 -8.941 -1.526 11.257 1.00 0.00 O ATOM 80 CB ASP A 7 -11.422 -2.259 13.112 1.00 0.00 C ATOM 81 CG ASP A 7 -12.933 -2.469 13.076 1.00 0.00 C ATOM 82 OD1 ASP A 7 -13.484 -2.483 11.987 1.00 0.00 O ATOM 83 OD2 ASP A 7 -13.518 -2.607 14.139 1.00 0.00 O ATOM 0 H ASP A 7 -10.990 -4.725 12.964 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.293 -2.593 11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.010 -2.673 14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.194 -1.193 13.112 1.00 0.00 H new ATOM 88 N SER A 8 -8.468 -3.443 12.343 1.00 0.00 N ATOM 89 CA SER A 8 -7.034 -3.236 12.294 1.00 0.00 C ATOM 90 C SER A 8 -6.561 -3.466 10.872 1.00 0.00 C ATOM 91 O SER A 8 -5.673 -2.775 10.373 1.00 0.00 O ATOM 92 CB SER A 8 -6.315 -4.182 13.261 1.00 0.00 C ATOM 93 OG SER A 8 -5.026 -3.660 13.554 1.00 0.00 O ATOM 0 H SER A 8 -8.758 -4.304 12.807 1.00 0.00 H new ATOM 0 HA SER A 8 -6.801 -2.216 12.599 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.893 -4.292 14.178 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.227 -5.175 12.819 1.00 0.00 H new ATOM 0 HG SER A 8 -4.892 -3.646 14.525 1.00 0.00 H new ATOM 99 N ARG A 9 -7.195 -4.430 10.217 1.00 0.00 N ATOM 100 CA ARG A 9 -6.877 -4.736 8.840 1.00 0.00 C ATOM 101 C ARG A 9 -7.317 -3.582 7.964 1.00 0.00 C ATOM 102 O ARG A 9 -6.631 -3.191 7.019 1.00 0.00 O ATOM 103 CB ARG A 9 -7.561 -6.038 8.399 1.00 0.00 C ATOM 104 CG ARG A 9 -6.888 -7.232 9.080 1.00 0.00 C ATOM 105 CD ARG A 9 -7.579 -8.524 8.637 1.00 0.00 C ATOM 106 NE ARG A 9 -6.941 -9.681 9.259 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.164 -10.912 8.808 1.00 0.00 C ATOM 108 NH1 ARG A 9 -7.967 -11.102 7.798 1.00 0.00 N ATOM 109 NH2 ARG A 9 -6.579 -11.931 9.378 1.00 0.00 N ATOM 0 H ARG A 9 -7.931 -5.009 10.622 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.801 -4.878 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.620 -6.009 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.500 -6.143 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.830 -7.265 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.947 -7.128 10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.634 -8.492 8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.533 -8.615 7.552 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.314 -9.543 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.424 -10.306 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.137 -12.046 7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.952 -11.782 10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.749 -12.876 9.033 1.00 0.00 H new ATOM 123 N ARG A 10 -8.460 -3.025 8.322 1.00 0.00 N ATOM 124 CA ARG A 10 -9.004 -1.882 7.596 1.00 0.00 C ATOM 125 C ARG A 10 -8.187 -0.636 7.906 1.00 0.00 C ATOM 126 O ARG A 10 -7.952 0.204 7.042 1.00 0.00 O ATOM 127 CB ARG A 10 -10.478 -1.657 7.941 1.00 0.00 C ATOM 128 CG ARG A 10 -11.327 -2.814 7.386 1.00 0.00 C ATOM 129 CD ARG A 10 -11.344 -2.792 5.848 1.00 0.00 C ATOM 130 NE ARG A 10 -12.556 -3.442 5.359 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.670 -4.768 5.367 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.697 -5.501 5.836 1.00 0.00 N ATOM 133 NH2 ARG A 10 -13.755 -5.334 4.917 1.00 0.00 N ATOM 0 H ARG A 10 -9.030 -3.341 9.107 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.942 -2.092 6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.602 -1.589 9.022 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.819 -0.710 7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.926 -3.765 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.346 -2.738 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.301 -1.764 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.464 -3.302 5.458 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.325 -2.873 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.852 -5.057 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.782 -6.517 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.518 -4.760 4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.841 -6.350 4.924 1.00 0.00 H new ATOM 147 N LEU A 11 -7.738 -0.541 9.147 1.00 0.00 N ATOM 148 CA LEU A 11 -6.916 0.582 9.568 1.00 0.00 C ATOM 149 C LEU A 11 -5.500 0.366 9.059 1.00 0.00 C ATOM 150 O LEU A 11 -4.758 1.321 8.830 1.00 0.00 O ATOM 151 CB LEU A 11 -6.921 0.716 11.102 1.00 0.00 C ATOM 152 CG LEU A 11 -8.184 1.479 11.573 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.561 1.075 13.009 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.922 2.992 11.540 1.00 0.00 C ATOM 0 H LEU A 11 -7.928 -1.226 9.879 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.321 1.505 9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.894 -0.273 11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.026 1.244 11.430 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.004 1.225 10.901 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.451 1.623 13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.763 0.005 13.045 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.736 1.311 13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.814 3.523 11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.089 3.232 12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.676 3.297 10.523 1.00 0.00 H new ATOM 166 N SER A 12 -5.132 -0.902 8.871 1.00 0.00 N ATOM 167 CA SER A 12 -3.804 -1.214 8.374 1.00 0.00 C ATOM 168 C SER A 12 -3.655 -0.652 6.972 1.00 0.00 C ATOM 169 O SER A 12 -2.667 0.018 6.661 1.00 0.00 O ATOM 170 CB SER A 12 -3.580 -2.725 8.351 1.00 0.00 C ATOM 171 OG SER A 12 -2.401 -3.013 7.611 1.00 0.00 O ATOM 0 H SER A 12 -5.726 -1.711 9.053 1.00 0.00 H new ATOM 0 HA SER A 12 -3.062 -0.766 9.035 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.487 -3.106 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.437 -3.225 7.900 1.00 0.00 H new ATOM 0 HG SER A 12 -1.617 -2.711 8.115 1.00 0.00 H new ATOM 177 N ILE A 13 -4.647 -0.918 6.122 1.00 0.00 N ATOM 178 CA ILE A 13 -4.595 -0.415 4.762 1.00 0.00 C ATOM 179 C ILE A 13 -4.832 1.096 4.720 1.00 0.00 C ATOM 180 O ILE A 13 -4.364 1.765 3.807 1.00 0.00 O ATOM 181 CB ILE A 13 -5.620 -1.115 3.864 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.034 -0.816 4.356 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.384 -2.628 3.854 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.050 -1.530 3.466 1.00 0.00 C ATOM 0 H ILE A 13 -5.476 -1.467 6.350 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.595 -0.629 4.385 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.504 -0.737 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.147 -1.144 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.215 0.259 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.122 -3.107 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.383 -2.838 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.479 -3.018 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.058 -1.315 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.943 -1.180 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.874 -2.605 3.503 1.00 0.00 H new ATOM 196 N GLN A 14 -5.570 1.624 5.699 1.00 0.00 N ATOM 197 CA GLN A 14 -5.868 3.033 5.755 1.00 0.00 C ATOM 198 C GLN A 14 -4.577 3.835 5.894 1.00 0.00 C ATOM 199 O GLN A 14 -4.388 4.854 5.238 1.00 0.00 O ATOM 200 CB GLN A 14 -6.771 3.295 6.959 1.00 0.00 C ATOM 201 CG GLN A 14 -7.398 4.668 6.810 1.00 0.00 C ATOM 202 CD GLN A 14 -8.314 4.969 7.990 1.00 0.00 C ATOM 203 OE1 GLN A 14 -8.835 4.052 8.624 1.00 0.00 O ATOM 204 NE2 GLN A 14 -8.540 6.210 8.327 1.00 0.00 N ATOM 0 H GLN A 14 -5.969 1.081 6.464 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.372 3.339 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.546 2.531 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.194 3.242 7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.617 5.426 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.965 4.716 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.107 6.968 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.149 6.421 9.117 1.00 0.00 H new ATOM 213 N ARG A 15 -3.686 3.336 6.743 1.00 0.00 N ATOM 214 CA ARG A 15 -2.395 3.968 6.971 1.00 0.00 C ATOM 215 C ARG A 15 -1.526 3.779 5.745 1.00 0.00 C ATOM 216 O ARG A 15 -0.815 4.693 5.322 1.00 0.00 O ATOM 217 CB ARG A 15 -1.716 3.352 8.200 1.00 0.00 C ATOM 218 CG ARG A 15 -2.467 3.776 9.464 1.00 0.00 C ATOM 219 CD ARG A 15 -1.815 3.137 10.693 1.00 0.00 C ATOM 220 NE ARG A 15 -2.543 3.507 11.902 1.00 0.00 N ATOM 221 CZ ARG A 15 -2.021 3.306 13.108 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.835 2.776 13.228 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.698 3.638 14.173 1.00 0.00 N ATOM 0 H ARG A 15 -3.838 2.488 7.289 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.539 5.033 7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.707 2.265 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.677 3.676 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.455 4.862 9.558 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.512 3.473 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.804 2.052 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.777 3.460 10.772 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.469 3.927 11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.306 2.515 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.436 2.623 14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.626 4.051 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.299 3.485 15.099 1.00 0.00 H new ATOM 237 N ALA A 16 -1.619 2.594 5.151 1.00 0.00 N ATOM 238 CA ALA A 16 -0.864 2.316 3.948 1.00 0.00 C ATOM 239 C ALA A 16 -1.431 3.176 2.842 1.00 0.00 C ATOM 240 O ALA A 16 -0.699 3.727 2.031 1.00 0.00 O ATOM 241 CB ALA A 16 -0.963 0.837 3.572 1.00 0.00 C ATOM 0 H ALA A 16 -2.202 1.825 5.481 1.00 0.00 H new ATOM 0 HA ALA A 16 0.190 2.542 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.388 0.653 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.565 0.228 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.007 0.575 3.399 1.00 0.00 H new ATOM 247 N ILE A 17 -2.753 3.298 2.852 1.00 0.00 N ATOM 248 CA ILE A 17 -3.455 4.111 1.884 1.00 0.00 C ATOM 249 C ILE A 17 -3.069 5.565 2.075 1.00 0.00 C ATOM 250 O ILE A 17 -2.754 6.263 1.116 1.00 0.00 O ATOM 251 CB ILE A 17 -4.965 3.927 2.111 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.428 2.567 1.495 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.790 5.120 1.555 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.245 2.778 0.214 1.00 0.00 C ATOM 0 H ILE A 17 -3.360 2.836 3.530 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.195 3.813 0.868 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.149 3.906 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.556 1.951 1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.027 2.022 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.850 4.946 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.482 6.039 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.617 5.213 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.550 1.811 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.130 3.372 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.636 3.301 -0.524 1.00 0.00 H new ATOM 266 N GLN A 18 -3.086 6.025 3.322 1.00 0.00 N ATOM 267 CA GLN A 18 -2.728 7.408 3.585 1.00 0.00 C ATOM 268 C GLN A 18 -1.377 7.717 2.956 1.00 0.00 C ATOM 269 O GLN A 18 -1.160 8.818 2.455 1.00 0.00 O ATOM 270 CB GLN A 18 -2.706 7.680 5.097 1.00 0.00 C ATOM 271 CG GLN A 18 -4.136 7.907 5.610 1.00 0.00 C ATOM 272 CD GLN A 18 -4.153 7.918 7.136 1.00 0.00 C ATOM 273 OE1 GLN A 18 -3.103 7.818 7.771 1.00 0.00 O ATOM 274 NE2 GLN A 18 -5.292 8.031 7.765 1.00 0.00 N ATOM 0 H GLN A 18 -3.337 5.476 4.144 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.478 8.062 3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.252 6.838 5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.092 8.555 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.521 8.852 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.793 7.121 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.160 8.114 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.313 8.037 8.785 1.00 0.00 H new ATOM 283 N SER A 19 -0.475 6.733 2.949 1.00 0.00 N ATOM 284 CA SER A 19 0.837 6.936 2.338 1.00 0.00 C ATOM 285 C SER A 19 0.792 6.592 0.860 1.00 0.00 C ATOM 286 O SER A 19 1.358 7.306 0.046 1.00 0.00 O ATOM 287 CB SER A 19 1.912 6.099 3.041 1.00 0.00 C ATOM 288 OG SER A 19 3.190 6.463 2.536 1.00 0.00 O ATOM 0 H SER A 19 -0.625 5.807 3.351 1.00 0.00 H new ATOM 0 HA SER A 19 1.098 7.988 2.450 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.872 6.264 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.730 5.037 2.874 1.00 0.00 H new ATOM 0 HG SER A 19 3.488 7.291 2.967 1.00 0.00 H new ATOM 294 N LEU A 20 0.116 5.512 0.492 1.00 0.00 N ATOM 295 CA LEU A 20 0.045 5.175 -0.922 1.00 0.00 C ATOM 296 C LEU A 20 -0.671 6.287 -1.679 1.00 0.00 C ATOM 297 O LEU A 20 -0.167 6.784 -2.687 1.00 0.00 O ATOM 298 CB LEU A 20 -0.646 3.800 -1.085 1.00 0.00 C ATOM 299 CG LEU A 20 -1.507 3.682 -2.367 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.619 3.644 -3.610 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.313 2.380 -2.303 1.00 0.00 C ATOM 0 H LEU A 20 -0.373 4.877 1.124 1.00 0.00 H new ATOM 0 HA LEU A 20 1.045 5.091 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.115 3.020 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.278 3.616 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.169 4.546 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.243 3.561 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.029 4.559 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.049 2.785 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.924 2.286 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.631 1.533 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.959 2.395 -1.425 1.00 0.00 H new ATOM 313 N VAL A 21 -1.837 6.688 -1.185 1.00 0.00 N ATOM 314 CA VAL A 21 -2.579 7.755 -1.837 1.00 0.00 C ATOM 315 C VAL A 21 -1.773 9.053 -1.798 1.00 0.00 C ATOM 316 O VAL A 21 -1.657 9.744 -2.806 1.00 0.00 O ATOM 317 CB VAL A 21 -3.962 7.956 -1.162 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.559 9.337 -1.494 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.934 6.877 -1.659 1.00 0.00 C ATOM 0 H VAL A 21 -2.280 6.299 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.747 7.475 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.819 7.885 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.527 9.442 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.887 10.119 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.686 9.429 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.906 7.017 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.043 6.955 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.545 5.891 -1.404 1.00 0.00 H new ATOM 329 N HIS A 22 -1.211 9.379 -0.633 1.00 0.00 N ATOM 330 CA HIS A 22 -0.432 10.607 -0.508 1.00 0.00 C ATOM 331 C HIS A 22 0.879 10.510 -1.275 1.00 0.00 C ATOM 332 O HIS A 22 1.214 11.400 -2.052 1.00 0.00 O ATOM 333 CB HIS A 22 -0.151 10.928 0.958 1.00 0.00 C ATOM 334 CG HIS A 22 0.504 12.279 1.044 1.00 0.00 C ATOM 335 ND1 HIS A 22 -0.103 13.423 0.547 1.00 0.00 N ATOM 336 CD2 HIS A 22 1.704 12.688 1.566 1.00 0.00 C ATOM 337 CE1 HIS A 22 0.728 14.455 0.779 1.00 0.00 C ATOM 338 NE2 HIS A 22 1.844 14.063 1.398 1.00 0.00 N ATOM 0 H HIS A 22 -1.279 8.822 0.219 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.026 11.413 -0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.079 10.922 1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.497 10.167 1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.430 12.042 2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.518 15.477 0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.630 14.646 1.686 1.00 0.00 H new ATOM 346 N ALA A 23 1.612 9.433 -1.050 1.00 0.00 N ATOM 347 CA ALA A 23 2.892 9.230 -1.726 1.00 0.00 C ATOM 348 C ALA A 23 2.706 9.118 -3.235 1.00 0.00 C ATOM 349 O ALA A 23 3.602 9.464 -4.003 1.00 0.00 O ATOM 350 CB ALA A 23 3.576 7.962 -1.210 1.00 0.00 C ATOM 0 H ALA A 23 1.348 8.686 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 23 3.517 10.096 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.527 7.827 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.753 8.054 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.936 7.100 -1.399 1.00 0.00 H new ATOM 356 N ALA A 24 1.544 8.630 -3.667 1.00 0.00 N ATOM 357 CA ALA A 24 1.279 8.480 -5.094 1.00 0.00 C ATOM 358 C ALA A 24 0.684 9.756 -5.668 1.00 0.00 C ATOM 359 O ALA A 24 0.452 9.852 -6.861 1.00 0.00 O ATOM 360 CB ALA A 24 0.320 7.325 -5.309 1.00 0.00 C ATOM 0 H ALA A 24 0.781 8.336 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 24 2.220 8.278 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.121 7.211 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.763 6.407 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.614 7.525 -4.784 1.00 0.00 H new ATOM 366 N GLN A 25 0.451 10.730 -4.799 1.00 0.00 N ATOM 367 CA GLN A 25 -0.104 12.023 -5.183 1.00 0.00 C ATOM 368 C GLN A 25 0.913 13.116 -4.921 1.00 0.00 C ATOM 369 O GLN A 25 0.985 14.104 -5.651 1.00 0.00 O ATOM 370 CB GLN A 25 -1.349 12.271 -4.337 1.00 0.00 C ATOM 371 CG GLN A 25 -2.481 11.343 -4.785 1.00 0.00 C ATOM 372 CD GLN A 25 -3.284 11.978 -5.891 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.489 13.194 -5.913 1.00 0.00 O ATOM 374 NE2 GLN A 25 -3.752 11.213 -6.812 1.00 0.00 N ATOM 0 H GLN A 25 0.643 10.646 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.356 12.026 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.123 12.100 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.662 13.311 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.067 10.395 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.131 11.119 -3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.574 10.209 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.301 11.610 -7.574 1.00 0.00 H new ATOM 383 N CYS A 26 1.729 12.916 -3.892 1.00 0.00 N ATOM 384 CA CYS A 26 2.777 13.874 -3.566 1.00 0.00 C ATOM 385 C CYS A 26 4.095 13.325 -4.070 1.00 0.00 C ATOM 386 O CYS A 26 4.876 12.746 -3.315 1.00 0.00 O ATOM 387 CB CYS A 26 2.847 14.103 -2.055 1.00 0.00 C ATOM 388 SG CYS A 26 4.115 15.344 -1.695 1.00 0.00 S ATOM 0 H CYS A 26 1.685 12.106 -3.274 1.00 0.00 H new ATOM 0 HA CYS A 26 2.560 14.831 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.879 14.437 -1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.081 13.169 -1.545 1.00 0.00 H new ATOM 0 HG CYS A 26 4.176 15.543 -0.412 1.00 0.00 H new ATOM 394 N ARG A 27 4.323 13.502 -5.361 1.00 0.00 N ATOM 395 CA ARG A 27 5.536 13.017 -5.995 1.00 0.00 C ATOM 396 C ARG A 27 6.631 14.073 -5.839 1.00 0.00 C ATOM 397 O ARG A 27 7.309 14.460 -6.788 1.00 0.00 O ATOM 398 CB ARG A 27 5.213 12.705 -7.470 1.00 0.00 C ATOM 399 CG ARG A 27 6.428 12.095 -8.204 1.00 0.00 C ATOM 400 CD ARG A 27 6.533 10.595 -7.905 1.00 0.00 C ATOM 401 NE ARG A 27 7.633 10.012 -8.667 1.00 0.00 N ATOM 402 CZ ARG A 27 8.882 10.046 -8.211 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.143 10.610 -7.062 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.846 9.519 -8.911 1.00 0.00 N ATOM 0 H ARG A 27 3.680 13.980 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 27 5.902 12.102 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.372 12.013 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.903 13.619 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.329 12.252 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.342 12.600 -7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.695 10.438 -6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.598 10.098 -8.162 1.00 0.00 H new ATOM 0 HE ARG A 27 7.440 9.570 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.389 11.024 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.101 10.636 -6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.643 9.080 -9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.804 9.545 -8.561 1.00 0.00 H new ATOM 418 N ASN A 28 6.778 14.551 -4.610 1.00 0.00 N ATOM 419 CA ASN A 28 7.778 15.562 -4.310 1.00 0.00 C ATOM 420 C ASN A 28 9.179 14.986 -4.473 1.00 0.00 C ATOM 421 O ASN A 28 10.078 15.658 -4.978 1.00 0.00 O ATOM 422 CB ASN A 28 7.596 16.063 -2.878 1.00 0.00 C ATOM 423 CG ASN A 28 8.645 17.123 -2.564 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.484 16.930 -1.684 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.647 18.241 -3.239 1.00 0.00 N ATOM 0 H ASN A 28 6.219 14.255 -3.810 1.00 0.00 H new ATOM 0 HA ASN A 28 7.653 16.393 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.596 16.479 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.685 15.232 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.345 18.957 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.951 18.398 -3.968 1.00 0.00 H new ATOM 432 N ALA A 29 9.339 13.741 -4.011 1.00 0.00 N ATOM 433 CA ALA A 29 10.618 13.019 -4.052 1.00 0.00 C ATOM 434 C ALA A 29 11.335 13.159 -2.714 1.00 0.00 C ATOM 435 O ALA A 29 11.860 12.187 -2.170 1.00 0.00 O ATOM 436 CB ALA A 29 11.524 13.535 -5.179 1.00 0.00 C ATOM 0 H ALA A 29 8.580 13.201 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 29 10.401 11.969 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.460 12.977 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.024 13.402 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.732 14.593 -5.023 1.00 0.00 H new ATOM 442 N ASN A 30 11.352 14.384 -2.194 1.00 0.00 N ATOM 443 CA ASN A 30 12.004 14.669 -0.920 1.00 0.00 C ATOM 444 C ASN A 30 10.993 14.624 0.222 1.00 0.00 C ATOM 445 O ASN A 30 11.271 15.109 1.319 1.00 0.00 O ATOM 446 CB ASN A 30 12.645 16.056 -0.970 1.00 0.00 C ATOM 447 CG ASN A 30 13.796 16.063 -1.969 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.397 15.021 -2.232 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.137 17.180 -2.550 1.00 0.00 N ATOM 0 H ASN A 30 10.921 15.196 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 30 12.769 13.912 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.901 16.799 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.010 16.333 0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.903 17.191 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.638 18.042 -2.331 1.00 0.00 H new ATOM 456 N CYS A 31 9.813 14.053 -0.052 1.00 0.00 N ATOM 457 CA CYS A 31 8.744 13.955 0.951 1.00 0.00 C ATOM 458 C CYS A 31 9.319 13.799 2.362 1.00 0.00 C ATOM 459 O CYS A 31 10.274 13.051 2.568 1.00 0.00 O ATOM 460 CB CYS A 31 7.845 12.762 0.626 1.00 0.00 C ATOM 461 SG CYS A 31 6.340 12.847 1.629 1.00 0.00 S ATOM 0 H CYS A 31 9.574 13.652 -0.959 1.00 0.00 H new ATOM 0 HA CYS A 31 8.162 14.876 0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.589 12.764 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.374 11.830 0.824 1.00 0.00 H new ATOM 0 HG CYS A 31 5.474 11.984 1.187 1.00 0.00 H new ATOM 467 N SER A 32 8.753 14.529 3.325 1.00 0.00 N ATOM 468 CA SER A 32 9.241 14.481 4.703 1.00 0.00 C ATOM 469 C SER A 32 8.517 13.440 5.540 1.00 0.00 C ATOM 470 O SER A 32 8.716 13.376 6.751 1.00 0.00 O ATOM 471 CB SER A 32 9.079 15.841 5.365 1.00 0.00 C ATOM 472 OG SER A 32 7.731 16.273 5.245 1.00 0.00 O ATOM 0 H SER A 32 7.962 15.156 3.177 1.00 0.00 H new ATOM 0 HA SER A 32 10.294 14.203 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.360 15.780 6.417 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.746 16.565 4.898 1.00 0.00 H new ATOM 0 HG SER A 32 7.629 17.148 5.674 1.00 0.00 H new ATOM 478 N LEU A 33 7.692 12.617 4.906 1.00 0.00 N ATOM 479 CA LEU A 33 6.975 11.572 5.624 1.00 0.00 C ATOM 480 C LEU A 33 7.699 10.245 5.403 1.00 0.00 C ATOM 481 O LEU A 33 7.635 9.681 4.312 1.00 0.00 O ATOM 482 CB LEU A 33 5.522 11.499 5.122 1.00 0.00 C ATOM 483 CG LEU A 33 4.727 12.752 5.613 1.00 0.00 C ATOM 484 CD1 LEU A 33 3.899 13.358 4.471 1.00 0.00 C ATOM 485 CD2 LEU A 33 3.764 12.370 6.753 1.00 0.00 C ATOM 0 H LEU A 33 7.504 12.652 3.904 1.00 0.00 H new ATOM 0 HA LEU A 33 6.951 11.792 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.506 11.451 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.047 10.589 5.488 1.00 0.00 H new ATOM 0 HG LEU A 33 5.457 13.481 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.355 14.228 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.563 13.660 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.190 12.616 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.220 13.255 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.057 11.621 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.333 11.963 7.589 1.00 0.00 H new ATOM 497 N PRO A 34 8.417 9.735 6.384 1.00 0.00 N ATOM 498 CA PRO A 34 9.167 8.467 6.210 1.00 0.00 C ATOM 499 C PRO A 34 8.325 7.411 5.514 1.00 0.00 C ATOM 500 O PRO A 34 8.837 6.608 4.736 1.00 0.00 O ATOM 501 CB PRO A 34 9.525 8.053 7.641 1.00 0.00 C ATOM 502 CG PRO A 34 9.617 9.338 8.397 1.00 0.00 C ATOM 503 CD PRO A 34 8.601 10.286 7.747 1.00 0.00 C ATOM 0 HA PRO A 34 10.047 8.585 5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.764 7.398 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.468 7.508 7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.390 9.187 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.625 9.750 8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.662 10.305 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.973 11.310 7.717 1.00 0.00 H new ATOM 511 N SER A 35 7.028 7.433 5.781 1.00 0.00 N ATOM 512 CA SER A 35 6.124 6.485 5.155 1.00 0.00 C ATOM 513 C SER A 35 6.099 6.702 3.647 1.00 0.00 C ATOM 514 O SER A 35 5.980 5.749 2.881 1.00 0.00 O ATOM 515 CB SER A 35 4.715 6.635 5.729 1.00 0.00 C ATOM 516 OG SER A 35 4.692 6.122 7.056 1.00 0.00 O ATOM 0 H SER A 35 6.583 8.091 6.421 1.00 0.00 H new ATOM 0 HA SER A 35 6.480 5.476 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.419 7.684 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.997 6.100 5.107 1.00 0.00 H new ATOM 0 HG SER A 35 3.791 6.218 7.428 1.00 0.00 H new ATOM 522 N CYS A 36 6.204 7.958 3.219 1.00 0.00 N ATOM 523 CA CYS A 36 6.188 8.248 1.786 1.00 0.00 C ATOM 524 C CYS A 36 7.461 7.748 1.108 1.00 0.00 C ATOM 525 O CYS A 36 7.400 7.013 0.122 1.00 0.00 O ATOM 526 CB CYS A 36 6.039 9.754 1.560 1.00 0.00 C ATOM 527 SG CYS A 36 4.286 10.195 1.558 1.00 0.00 S ATOM 0 H CYS A 36 6.299 8.773 3.825 1.00 0.00 H new ATOM 0 HA CYS A 36 5.338 7.727 1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.562 10.303 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.497 10.037 0.612 1.00 0.00 H new ATOM 0 HG CYS A 36 4.063 11.082 0.634 1.00 0.00 H new ATOM 533 N GLN A 37 8.605 8.165 1.629 1.00 0.00 N ATOM 534 CA GLN A 37 9.880 7.774 1.059 1.00 0.00 C ATOM 535 C GLN A 37 9.979 6.280 0.919 1.00 0.00 C ATOM 536 O GLN A 37 10.539 5.768 -0.052 1.00 0.00 O ATOM 537 CB GLN A 37 11.011 8.226 1.968 1.00 0.00 C ATOM 538 CG GLN A 37 11.013 9.752 2.064 1.00 0.00 C ATOM 539 CD GLN A 37 12.221 10.236 2.862 1.00 0.00 C ATOM 540 OE1 GLN A 37 12.326 9.962 4.058 1.00 0.00 O ATOM 541 NE2 GLN A 37 13.142 10.946 2.270 1.00 0.00 N ATOM 0 H GLN A 37 8.674 8.773 2.445 1.00 0.00 H new ATOM 0 HA GLN A 37 9.956 8.240 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.891 7.789 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.967 7.875 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.033 10.185 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.094 10.093 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.054 11.172 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.950 11.275 2.798 1.00 0.00 H new ATOM 550 N LYS A 38 9.440 5.578 1.895 1.00 0.00 N ATOM 551 CA LYS A 38 9.477 4.145 1.881 1.00 0.00 C ATOM 552 C LYS A 38 8.451 3.631 0.877 1.00 0.00 C ATOM 553 O LYS A 38 8.661 2.602 0.237 1.00 0.00 O ATOM 554 CB LYS A 38 9.288 3.617 3.335 1.00 0.00 C ATOM 555 CG LYS A 38 8.399 2.359 3.409 1.00 0.00 C ATOM 556 CD LYS A 38 6.946 2.809 3.516 1.00 0.00 C ATOM 557 CE LYS A 38 6.005 1.616 3.335 1.00 0.00 C ATOM 558 NZ LYS A 38 4.604 2.040 3.626 1.00 0.00 N ATOM 0 H LYS A 38 8.973 5.985 2.705 1.00 0.00 H new ATOM 0 HA LYS A 38 10.442 3.764 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.265 3.391 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.846 4.404 3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.541 1.740 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.673 1.750 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.773 3.273 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.736 3.565 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.077 1.234 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.297 0.804 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.233 1.488 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.590 3.051 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.011 1.876 2.788 1.00 0.00 H new ATOM 572 N MET A 39 7.344 4.364 0.716 1.00 0.00 N ATOM 573 CA MET A 39 6.323 3.959 -0.239 1.00 0.00 C ATOM 574 C MET A 39 6.810 4.251 -1.642 1.00 0.00 C ATOM 575 O MET A 39 6.529 3.510 -2.577 1.00 0.00 O ATOM 576 CB MET A 39 4.970 4.647 0.031 1.00 0.00 C ATOM 577 CG MET A 39 4.126 3.874 1.075 1.00 0.00 C ATOM 578 SD MET A 39 3.885 2.136 0.592 1.00 0.00 S ATOM 579 CE MET A 39 3.119 2.439 -1.016 1.00 0.00 C ATOM 0 H MET A 39 7.140 5.223 1.226 1.00 0.00 H new ATOM 0 HA MET A 39 6.153 2.888 -0.127 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.144 5.663 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.411 4.726 -0.901 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.620 3.917 2.046 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.156 4.358 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.433 1.626 -1.251 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.570 3.380 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.892 2.494 -1.783 1.00 0.00 H new ATOM 589 N LYS A 40 7.572 5.315 -1.795 1.00 0.00 N ATOM 590 CA LYS A 40 8.092 5.604 -3.104 1.00 0.00 C ATOM 591 C LYS A 40 9.028 4.486 -3.453 1.00 0.00 C ATOM 592 O LYS A 40 9.021 3.967 -4.552 1.00 0.00 O ATOM 593 CB LYS A 40 8.802 6.946 -3.149 1.00 0.00 C ATOM 594 CG LYS A 40 7.758 8.050 -2.968 1.00 0.00 C ATOM 595 CD LYS A 40 8.428 9.420 -3.010 1.00 0.00 C ATOM 596 CE LYS A 40 7.381 10.500 -2.739 1.00 0.00 C ATOM 597 NZ LYS A 40 8.046 11.830 -2.699 1.00 0.00 N ATOM 0 H LYS A 40 7.834 5.968 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 40 7.278 5.674 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.555 7.003 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.323 7.068 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.005 7.981 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.240 7.919 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.223 9.472 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.891 9.582 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.617 10.486 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.876 10.304 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.370 12.546 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.858 11.793 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.376 12.082 -3.653 1.00 0.00 H new ATOM 611 N ARG A 41 9.792 4.088 -2.468 1.00 0.00 N ATOM 612 CA ARG A 41 10.709 2.996 -2.632 1.00 0.00 C ATOM 613 C ARG A 41 9.938 1.811 -3.179 1.00 0.00 C ATOM 614 O ARG A 41 10.424 1.111 -4.037 1.00 0.00 O ATOM 615 CB ARG A 41 11.325 2.655 -1.271 1.00 0.00 C ATOM 616 CG ARG A 41 12.724 2.051 -1.453 1.00 0.00 C ATOM 617 CD ARG A 41 13.355 1.840 -0.081 1.00 0.00 C ATOM 618 NE ARG A 41 13.696 3.128 0.516 1.00 0.00 N ATOM 619 CZ ARG A 41 14.080 3.221 1.786 1.00 0.00 C ATOM 620 NH1 ARG A 41 14.138 2.151 2.532 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.396 4.383 2.288 1.00 0.00 N ATOM 0 H ARG A 41 9.795 4.509 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 41 11.511 3.258 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.387 3.554 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.684 1.951 -0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.658 1.103 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.345 2.714 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.664 1.301 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.250 1.225 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 41 13.639 3.973 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.889 1.243 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.433 2.224 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.348 5.220 1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.691 4.455 3.262 1.00 0.00 H new ATOM 635 N VAL A 42 8.727 1.632 -2.653 1.00 0.00 N ATOM 636 CA VAL A 42 7.833 0.551 -3.061 1.00 0.00 C ATOM 637 C VAL A 42 7.260 0.792 -4.467 1.00 0.00 C ATOM 638 O VAL A 42 7.259 -0.110 -5.303 1.00 0.00 O ATOM 639 CB VAL A 42 6.688 0.416 -2.035 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.664 -0.604 -2.539 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.262 -0.049 -0.683 1.00 0.00 C ATOM 0 H VAL A 42 8.338 2.236 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 42 8.408 -0.374 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 42 6.199 1.382 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.856 -0.698 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.257 -0.270 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.148 -1.572 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.454 -0.144 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.753 -1.014 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.986 0.682 -0.324 1.00 0.00 H new ATOM 651 N VAL A 43 6.777 2.010 -4.715 1.00 0.00 N ATOM 652 CA VAL A 43 6.206 2.355 -6.018 1.00 0.00 C ATOM 653 C VAL A 43 7.311 2.508 -7.061 1.00 0.00 C ATOM 654 O VAL A 43 7.267 1.896 -8.130 1.00 0.00 O ATOM 655 CB VAL A 43 5.412 3.656 -5.912 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.864 4.027 -7.289 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.248 3.459 -4.940 1.00 0.00 C ATOM 0 H VAL A 43 6.769 2.770 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 43 5.539 1.551 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 43 6.061 4.453 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.297 4.955 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.691 4.161 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.212 3.230 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.679 4.385 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.599 2.664 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.636 3.187 -3.958 1.00 0.00 H new ATOM 667 N GLN A 44 8.306 3.320 -6.719 1.00 0.00 N ATOM 668 CA GLN A 44 9.443 3.560 -7.589 1.00 0.00 C ATOM 669 C GLN A 44 10.089 2.224 -7.960 1.00 0.00 C ATOM 670 O GLN A 44 10.530 2.043 -9.093 1.00 0.00 O ATOM 671 CB GLN A 44 10.460 4.488 -6.890 1.00 0.00 C ATOM 672 CG GLN A 44 9.818 5.852 -6.621 1.00 0.00 C ATOM 673 CD GLN A 44 9.539 6.567 -7.940 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.430 6.689 -8.780 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.350 7.052 -8.172 1.00 0.00 N ATOM 0 H GLN A 44 8.344 3.826 -5.834 1.00 0.00 H new ATOM 0 HA GLN A 44 9.107 4.053 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.790 4.040 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.345 4.609 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.890 5.723 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.479 6.458 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.613 6.950 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.158 7.533 -9.051 1.00 0.00 H new ATOM 684 N HIS A 45 10.121 1.279 -7.016 1.00 0.00 N ATOM 685 CA HIS A 45 10.688 -0.032 -7.294 1.00 0.00 C ATOM 686 C HIS A 45 9.683 -0.894 -8.046 1.00 0.00 C ATOM 687 O HIS A 45 10.058 -1.740 -8.857 1.00 0.00 O ATOM 688 CB HIS A 45 11.039 -0.696 -5.965 1.00 0.00 C ATOM 689 CG HIS A 45 10.979 -2.184 -6.068 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.710 -2.926 -6.984 1.00 0.00 N ATOM 691 CD2 HIS A 45 10.214 -3.075 -5.380 1.00 0.00 C ATOM 692 CE1 HIS A 45 11.359 -4.209 -6.817 1.00 0.00 C ATOM 693 NE2 HIS A 45 10.452 -4.344 -5.850 1.00 0.00 N ATOM 0 H HIS A 45 9.765 1.399 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 45 11.580 0.077 -7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.039 -0.391 -5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.350 -0.355 -5.193 1.00 0.00 H new ATOM 0 HD1 HIS A 45 12.386 -2.564 -7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.526 -2.823 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.760 -5.029 -7.393 1.00 0.00 H new ATOM 701 N THR A 46 8.418 -0.720 -7.727 1.00 0.00 N ATOM 702 CA THR A 46 7.405 -1.547 -8.345 1.00 0.00 C ATOM 703 C THR A 46 7.441 -1.443 -9.861 1.00 0.00 C ATOM 704 O THR A 46 7.360 -2.454 -10.559 1.00 0.00 O ATOM 705 CB THR A 46 6.014 -1.139 -7.824 1.00 0.00 C ATOM 706 OG1 THR A 46 5.843 -1.635 -6.504 1.00 0.00 O ATOM 707 CG2 THR A 46 4.891 -1.688 -8.723 1.00 0.00 C ATOM 0 H THR A 46 8.072 -0.030 -7.060 1.00 0.00 H new ATOM 0 HA THR A 46 7.610 -2.584 -8.079 1.00 0.00 H new ATOM 0 HB THR A 46 5.954 -0.051 -7.832 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.561 -1.294 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.924 -1.381 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.009 -1.296 -9.733 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.944 -2.776 -8.748 1.00 0.00 H new ATOM 715 N LYS A 47 7.533 -0.236 -10.371 1.00 0.00 N ATOM 716 CA LYS A 47 7.540 -0.060 -11.811 1.00 0.00 C ATOM 717 C LYS A 47 8.823 -0.587 -12.441 1.00 0.00 C ATOM 718 O LYS A 47 8.790 -1.197 -13.510 1.00 0.00 O ATOM 719 CB LYS A 47 7.360 1.411 -12.170 1.00 0.00 C ATOM 720 CG LYS A 47 5.992 1.896 -11.688 1.00 0.00 C ATOM 721 CD LYS A 47 5.697 3.269 -12.291 1.00 0.00 C ATOM 722 CE LYS A 47 6.663 4.312 -11.722 1.00 0.00 C ATOM 723 NZ LYS A 47 6.155 5.679 -12.027 1.00 0.00 N ATOM 0 H LYS A 47 7.603 0.624 -9.827 1.00 0.00 H new ATOM 0 HA LYS A 47 6.706 -0.637 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.150 2.006 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.445 1.545 -13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.219 1.185 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.978 1.954 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.793 3.227 -13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.669 3.557 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.762 4.182 -10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.655 4.177 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.811 6.387 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.082 5.800 -13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.217 5.805 -11.596 1.00 0.00 H new ATOM 737 N GLY A 48 9.950 -0.341 -11.786 1.00 0.00 N ATOM 738 CA GLY A 48 11.231 -0.791 -12.315 1.00 0.00 C ATOM 739 C GLY A 48 11.147 -2.240 -12.772 1.00 0.00 C ATOM 740 O GLY A 48 11.939 -2.692 -13.599 1.00 0.00 O ATOM 0 H GLY A 48 10.004 0.161 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.527 -0.158 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.001 -0.690 -11.550 1.00 0.00 H new ATOM 744 N CYS A 49 10.176 -2.964 -12.226 1.00 0.00 N ATOM 745 CA CYS A 49 9.973 -4.372 -12.575 1.00 0.00 C ATOM 746 C CYS A 49 8.647 -4.573 -13.321 1.00 0.00 C ATOM 747 O CYS A 49 7.578 -4.251 -12.801 1.00 0.00 O ATOM 748 CB CYS A 49 9.997 -5.193 -11.298 1.00 0.00 C ATOM 749 SG CYS A 49 10.095 -6.950 -11.723 1.00 0.00 S ATOM 0 H CYS A 49 9.515 -2.602 -11.539 1.00 0.00 H new ATOM 0 HA CYS A 49 10.771 -4.698 -13.242 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.851 -4.907 -10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.101 -4.998 -10.709 1.00 0.00 H new ATOM 0 HG CYS A 49 10.118 -7.659 -10.634 1.00 0.00 H new ATOM 755 N LYS A 50 8.720 -5.115 -14.543 1.00 0.00 N ATOM 756 CA LYS A 50 7.520 -5.353 -15.347 1.00 0.00 C ATOM 757 C LYS A 50 6.838 -6.666 -14.963 1.00 0.00 C ATOM 758 O LYS A 50 5.612 -6.768 -15.007 1.00 0.00 O ATOM 759 CB LYS A 50 7.885 -5.362 -16.841 1.00 0.00 C ATOM 760 CG LYS A 50 8.400 -3.978 -17.281 1.00 0.00 C ATOM 761 CD LYS A 50 7.234 -2.989 -17.456 1.00 0.00 C ATOM 762 CE LYS A 50 7.773 -1.647 -17.951 1.00 0.00 C ATOM 763 NZ LYS A 50 6.643 -0.683 -18.071 1.00 0.00 N ATOM 0 H LYS A 50 9.592 -5.395 -14.992 1.00 0.00 H new ATOM 0 HA LYS A 50 6.816 -4.544 -15.150 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.648 -6.117 -17.030 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.012 -5.636 -17.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.100 -3.593 -16.540 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.948 -4.071 -18.219 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.510 -3.387 -18.167 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.711 -2.856 -16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.522 -1.264 -17.258 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.265 -1.772 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.002 0.233 -18.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.944 -1.050 -18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.193 -0.558 -17.142 1.00 0.00 H new ATOM 777 N ARG A 51 7.625 -7.661 -14.570 1.00 0.00 N ATOM 778 CA ARG A 51 7.061 -8.939 -14.167 1.00 0.00 C ATOM 779 C ARG A 51 6.253 -8.759 -12.897 1.00 0.00 C ATOM 780 O ARG A 51 5.151 -9.285 -12.758 1.00 0.00 O ATOM 781 CB ARG A 51 8.178 -9.961 -13.928 1.00 0.00 C ATOM 782 CG ARG A 51 7.595 -11.272 -13.337 1.00 0.00 C ATOM 783 CD ARG A 51 7.843 -11.338 -11.820 1.00 0.00 C ATOM 784 NE ARG A 51 9.275 -11.417 -11.552 1.00 0.00 N ATOM 785 CZ ARG A 51 9.921 -12.575 -11.625 1.00 0.00 C ATOM 786 NH1 ARG A 51 9.278 -13.663 -11.952 1.00 0.00 N ATOM 787 NH2 ARG A 51 11.201 -12.626 -11.378 1.00 0.00 N ATOM 0 H ARG A 51 8.642 -7.607 -14.523 1.00 0.00 H new ATOM 0 HA ARG A 51 6.413 -9.307 -14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.691 -10.174 -14.866 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.920 -9.546 -13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.525 -11.324 -13.539 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.054 -12.133 -13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.422 -10.457 -11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.337 -12.206 -11.398 1.00 0.00 H new ATOM 0 HE ARG A 51 9.787 -10.570 -11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.279 -13.624 -12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.775 -14.552 -12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.707 -11.776 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.696 -13.516 -11.434 1.00 0.00 H new ATOM 801 N LYS A 52 6.818 -7.991 -11.983 1.00 0.00 N ATOM 802 CA LYS A 52 6.177 -7.706 -10.723 1.00 0.00 C ATOM 803 C LYS A 52 4.922 -6.881 -10.948 1.00 0.00 C ATOM 804 O LYS A 52 3.918 -7.059 -10.261 1.00 0.00 O ATOM 805 CB LYS A 52 7.187 -6.986 -9.810 1.00 0.00 C ATOM 806 CG LYS A 52 6.494 -5.985 -8.890 1.00 0.00 C ATOM 807 CD LYS A 52 7.439 -5.496 -7.795 1.00 0.00 C ATOM 808 CE LYS A 52 6.617 -4.729 -6.760 1.00 0.00 C ATOM 809 NZ LYS A 52 7.521 -4.145 -5.731 1.00 0.00 N ATOM 0 H LYS A 52 7.731 -7.551 -12.098 1.00 0.00 H new ATOM 0 HA LYS A 52 5.866 -8.630 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.725 -7.720 -9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.927 -6.469 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.139 -5.136 -9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.618 -6.449 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.947 -6.339 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.211 -4.854 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.047 -3.938 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.896 -5.396 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.250 -4.497 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.503 -4.422 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.443 -3.108 -5.748 1.00 0.00 H new ATOM 823 N THR A 53 4.985 -5.968 -11.903 1.00 0.00 N ATOM 824 CA THR A 53 3.836 -5.124 -12.171 1.00 0.00 C ATOM 825 C THR A 53 2.664 -5.979 -12.625 1.00 0.00 C ATOM 826 O THR A 53 1.507 -5.572 -12.519 1.00 0.00 O ATOM 827 CB THR A 53 4.187 -4.057 -13.232 1.00 0.00 C ATOM 828 OG1 THR A 53 4.902 -2.998 -12.611 1.00 0.00 O ATOM 829 CG2 THR A 53 2.923 -3.492 -13.913 1.00 0.00 C ATOM 0 H THR A 53 5.799 -5.795 -12.492 1.00 0.00 H new ATOM 0 HA THR A 53 3.552 -4.605 -11.255 1.00 0.00 H new ATOM 0 HB THR A 53 4.798 -4.531 -14.000 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.854 -3.225 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.211 -2.745 -14.652 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.383 -4.301 -14.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.281 -3.031 -13.163 1.00 0.00 H new ATOM 837 N ASN A 54 2.968 -7.170 -13.112 1.00 0.00 N ATOM 838 CA ASN A 54 1.931 -8.078 -13.559 1.00 0.00 C ATOM 839 C ASN A 54 1.278 -8.744 -12.355 1.00 0.00 C ATOM 840 O ASN A 54 0.345 -9.531 -12.504 1.00 0.00 O ATOM 841 CB ASN A 54 2.527 -9.151 -14.475 1.00 0.00 C ATOM 842 CG ASN A 54 1.409 -9.959 -15.129 1.00 0.00 C ATOM 843 OD1 ASN A 54 0.230 -9.697 -14.888 1.00 0.00 O ATOM 844 ND2 ASN A 54 1.710 -10.935 -15.941 1.00 0.00 N ATOM 0 H ASN A 54 3.919 -7.527 -13.207 1.00 0.00 H new ATOM 0 HA ASN A 54 1.183 -7.512 -14.114 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.146 -8.684 -15.241 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.176 -9.812 -13.900 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.968 -11.482 -16.377 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.687 -11.150 -16.139 1.00 0.00 H new ATOM 851 N GLY A 55 1.788 -8.439 -11.154 1.00 0.00 N ATOM 852 CA GLY A 55 1.248 -9.041 -9.931 1.00 0.00 C ATOM 853 C GLY A 55 2.200 -10.105 -9.405 1.00 0.00 C ATOM 854 O GLY A 55 1.946 -10.733 -8.376 1.00 0.00 O ATOM 0 H GLY A 55 2.561 -7.790 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.097 -8.271 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.273 -9.484 -10.135 1.00 0.00 H new ATOM 858 N GLY A 56 3.286 -10.319 -10.136 1.00 0.00 N ATOM 859 CA GLY A 56 4.262 -11.330 -9.762 1.00 0.00 C ATOM 860 C GLY A 56 4.652 -11.220 -8.291 1.00 0.00 C ATOM 861 O GLY A 56 4.758 -12.231 -7.598 1.00 0.00 O ATOM 0 H GLY A 56 3.512 -9.807 -10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.852 -12.321 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.151 -11.225 -10.383 1.00 0.00 H new ATOM 865 N CYS A 57 4.890 -10.000 -7.823 1.00 0.00 N ATOM 866 CA CYS A 57 5.298 -9.785 -6.454 1.00 0.00 C ATOM 867 C CYS A 57 4.109 -9.638 -5.508 1.00 0.00 C ATOM 868 O CYS A 57 3.194 -8.867 -5.791 1.00 0.00 O ATOM 869 CB CYS A 57 6.091 -8.496 -6.368 1.00 0.00 C ATOM 870 SG CYS A 57 6.918 -8.425 -4.765 1.00 0.00 S ATOM 0 H CYS A 57 4.805 -9.149 -8.378 1.00 0.00 H new ATOM 0 HA CYS A 57 5.885 -10.655 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.824 -8.450 -7.173 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.430 -7.638 -6.490 1.00 0.00 H new ATOM 0 HG CYS A 57 7.584 -9.524 -4.571 1.00 0.00 H new ATOM 876 N PRO A 58 4.121 -10.273 -4.363 1.00 0.00 N ATOM 877 CA PRO A 58 3.035 -10.078 -3.373 1.00 0.00 C ATOM 878 C PRO A 58 2.811 -8.584 -3.154 1.00 0.00 C ATOM 879 O PRO A 58 1.700 -8.145 -2.862 1.00 0.00 O ATOM 880 CB PRO A 58 3.568 -10.761 -2.105 1.00 0.00 C ATOM 881 CG PRO A 58 4.517 -11.802 -2.603 1.00 0.00 C ATOM 882 CD PRO A 58 5.130 -11.241 -3.889 1.00 0.00 C ATOM 0 HA PRO A 58 2.075 -10.492 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.071 -10.047 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.759 -11.207 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.289 -12.011 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.998 -12.741 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.089 -10.759 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.308 -12.026 -4.624 1.00 0.00 H new ATOM 890 N ILE A 59 3.885 -7.806 -3.333 1.00 0.00 N ATOM 891 CA ILE A 59 3.796 -6.364 -3.190 1.00 0.00 C ATOM 892 C ILE A 59 2.894 -5.808 -4.275 1.00 0.00 C ATOM 893 O ILE A 59 2.036 -4.978 -3.998 1.00 0.00 O ATOM 894 CB ILE A 59 5.194 -5.709 -3.263 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.981 -6.071 -2.006 1.00 0.00 C ATOM 896 CG2 ILE A 59 5.080 -4.183 -3.373 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.442 -5.600 -2.141 1.00 0.00 C ATOM 0 H ILE A 59 4.813 -8.154 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 59 3.374 -6.134 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 59 5.708 -6.079 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.521 -5.608 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.952 -7.149 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.077 -3.746 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.525 -3.924 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.557 -3.793 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.994 -5.863 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.902 -6.084 -3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.465 -4.519 -2.277 1.00 0.00 H new ATOM 909 N CYS A 60 3.064 -6.282 -5.513 1.00 0.00 N ATOM 910 CA CYS A 60 2.219 -5.805 -6.595 1.00 0.00 C ATOM 911 C CYS A 60 0.851 -6.454 -6.506 1.00 0.00 C ATOM 912 O CYS A 60 -0.171 -5.804 -6.717 1.00 0.00 O ATOM 913 CB CYS A 60 2.851 -6.066 -7.977 1.00 0.00 C ATOM 914 SG CYS A 60 3.769 -4.601 -8.498 1.00 0.00 S ATOM 0 H CYS A 60 3.761 -6.977 -5.780 1.00 0.00 H new ATOM 0 HA CYS A 60 2.115 -4.725 -6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.516 -6.928 -7.929 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.076 -6.302 -8.706 1.00 0.00 H new ATOM 0 HG CYS A 60 2.983 -3.812 -9.169 1.00 0.00 H new ATOM 920 N LYS A 61 0.832 -7.732 -6.197 1.00 0.00 N ATOM 921 CA LYS A 61 -0.440 -8.428 -6.103 1.00 0.00 C ATOM 922 C LYS A 61 -1.322 -7.754 -5.057 1.00 0.00 C ATOM 923 O LYS A 61 -2.490 -7.453 -5.312 1.00 0.00 O ATOM 924 CB LYS A 61 -0.209 -9.890 -5.729 1.00 0.00 C ATOM 925 CG LYS A 61 -1.439 -10.712 -6.120 1.00 0.00 C ATOM 926 CD LYS A 61 -1.313 -12.124 -5.558 1.00 0.00 C ATOM 927 CE LYS A 61 -0.156 -12.862 -6.242 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.293 -14.326 -6.004 1.00 0.00 N ATOM 0 H LYS A 61 1.657 -8.302 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.941 -8.387 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.675 -10.272 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.023 -9.979 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.342 -10.237 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.534 -10.749 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.142 -12.082 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.244 -12.669 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.160 -12.654 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.798 -12.507 -5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.491 -14.828 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.269 -14.515 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.197 -14.658 -6.397 1.00 0.00 H new ATOM 942 N GLN A 62 -0.748 -7.510 -3.886 1.00 0.00 N ATOM 943 CA GLN A 62 -1.478 -6.857 -2.809 1.00 0.00 C ATOM 944 C GLN A 62 -1.752 -5.388 -3.133 1.00 0.00 C ATOM 945 O GLN A 62 -2.843 -4.882 -2.867 1.00 0.00 O ATOM 946 CB GLN A 62 -0.683 -6.960 -1.508 1.00 0.00 C ATOM 947 CG GLN A 62 -0.649 -8.419 -1.046 1.00 0.00 C ATOM 948 CD GLN A 62 0.236 -8.553 0.188 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.752 -7.556 0.695 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.445 -9.732 0.706 1.00 0.00 N ATOM 0 H GLN A 62 0.216 -7.753 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.437 -7.363 -2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.332 -6.591 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.139 -6.335 -0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.659 -8.761 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.270 -9.054 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.017 -10.557 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.036 -9.829 1.532 1.00 0.00 H new ATOM 959 N LEU A 63 -0.752 -4.701 -3.695 1.00 0.00 N ATOM 960 CA LEU A 63 -0.907 -3.284 -4.029 1.00 0.00 C ATOM 961 C LEU A 63 -1.989 -3.100 -5.088 1.00 0.00 C ATOM 962 O LEU A 63 -2.817 -2.196 -4.987 1.00 0.00 O ATOM 963 CB LEU A 63 0.422 -2.697 -4.516 1.00 0.00 C ATOM 964 CG LEU A 63 0.295 -1.185 -4.753 1.00 0.00 C ATOM 965 CD1 LEU A 63 0.020 -0.446 -3.425 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.608 -0.676 -5.359 1.00 0.00 C ATOM 0 H LEU A 63 0.160 -5.097 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.210 -2.751 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.202 -2.890 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.726 -3.190 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.538 -0.995 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.067 0.624 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.909 -0.814 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.842 -0.626 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.536 0.397 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.429 -0.877 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.794 -1.186 -6.304 1.00 0.00 H new ATOM 978 N ILE A 64 -1.992 -3.970 -6.093 1.00 0.00 N ATOM 979 CA ILE A 64 -3.001 -3.888 -7.141 1.00 0.00 C ATOM 980 C ILE A 64 -4.389 -4.099 -6.539 1.00 0.00 C ATOM 981 O ILE A 64 -5.338 -3.393 -6.875 1.00 0.00 O ATOM 982 CB ILE A 64 -2.717 -4.935 -8.226 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.463 -4.524 -9.001 1.00 0.00 C ATOM 984 CG2 ILE A 64 -3.900 -5.033 -9.195 1.00 0.00 C ATOM 985 CD1 ILE A 64 -0.976 -5.697 -9.856 1.00 0.00 C ATOM 0 H ILE A 64 -1.318 -4.728 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.966 -2.899 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.566 -5.906 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.681 -3.665 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.680 -4.217 -8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.684 -5.780 -9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.796 -5.324 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.063 -4.065 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.083 -5.400 -10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.740 -6.544 -9.211 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.757 -5.983 -10.560 1.00 0.00 H new ATOM 997 N ALA A 65 -4.496 -5.067 -5.637 1.00 0.00 N ATOM 998 CA ALA A 65 -5.766 -5.345 -4.984 1.00 0.00 C ATOM 999 C ALA A 65 -6.146 -4.185 -4.076 1.00 0.00 C ATOM 1000 O ALA A 65 -7.290 -3.733 -4.072 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.665 -6.632 -4.162 1.00 0.00 C ATOM 0 H ALA A 65 -3.725 -5.667 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.534 -5.471 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.621 -6.830 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.411 -7.464 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.890 -6.519 -3.403 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.167 -3.677 -3.335 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.411 -2.538 -2.462 1.00 0.00 C ATOM 1009 C LEU A 66 -5.843 -1.377 -3.333 1.00 0.00 C ATOM 1010 O LEU A 66 -6.787 -0.648 -3.020 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.137 -2.187 -1.679 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.309 -0.859 -0.932 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.554 -0.908 -0.046 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.076 -0.625 -0.056 1.00 0.00 C ATOM 0 H LEU A 66 -4.210 -4.031 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.189 -2.771 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.910 -2.982 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.291 -2.118 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.421 -0.050 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.665 0.041 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.434 -1.085 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.452 -1.715 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.185 0.317 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.978 -1.442 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.186 -0.583 -0.684 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.155 -1.251 -4.456 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.461 -0.224 -5.425 1.00 0.00 C ATOM 1028 C ALA A 67 -6.861 -0.451 -5.968 1.00 0.00 C ATOM 1029 O ALA A 67 -7.579 0.496 -6.276 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.458 -0.281 -6.572 1.00 0.00 C ATOM 0 H ALA A 67 -4.375 -1.855 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.404 0.754 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.693 0.495 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.452 -0.122 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.511 -1.258 -7.053 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.245 -1.722 -6.091 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.570 -2.047 -6.603 1.00 0.00 C ATOM 1038 C ALA A 68 -9.641 -1.402 -5.732 1.00 0.00 C ATOM 1039 O ALA A 68 -10.561 -0.763 -6.237 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.777 -3.562 -6.638 1.00 0.00 C ATOM 0 H ALA A 68 -6.668 -2.527 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.650 -1.659 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.772 -3.784 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.027 -4.017 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.679 -3.966 -5.630 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.513 -1.564 -4.419 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.480 -0.976 -3.500 1.00 0.00 C ATOM 1048 C TYR A 69 -10.487 0.547 -3.623 1.00 0.00 C ATOM 1049 O TYR A 69 -11.550 1.167 -3.663 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.150 -1.375 -2.059 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.483 -2.834 -1.848 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.809 -3.223 -1.621 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.468 -3.796 -1.874 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.119 -4.573 -1.424 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.776 -5.147 -1.678 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.103 -5.536 -1.452 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.409 -6.868 -1.256 1.00 0.00 O ATOM 0 H TYR A 69 -8.761 -2.089 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.469 -1.353 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.094 -1.200 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.716 -0.758 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.593 -2.480 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.445 -3.496 -2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.142 -4.872 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.992 -5.889 -1.701 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.590 -7.403 -1.308 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.298 1.152 -3.684 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.202 2.608 -3.800 1.00 0.00 C ATOM 1069 C HIS A 70 -9.691 3.104 -5.160 1.00 0.00 C ATOM 1070 O HIS A 70 -10.475 4.051 -5.242 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.756 3.056 -3.590 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.676 4.551 -3.717 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.602 5.395 -3.125 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.789 5.368 -4.372 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.257 6.658 -3.436 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.158 6.697 -4.194 1.00 0.00 N ATOM 0 H HIS A 70 -8.402 0.665 -3.656 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.843 3.039 -3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.406 2.744 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.106 2.582 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.934 5.030 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.802 7.533 -3.112 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.690 7.524 -4.563 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.217 2.468 -6.223 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.605 2.862 -7.577 1.00 0.00 C ATOM 1086 C ALA A 71 -11.110 2.715 -7.766 1.00 0.00 C ATOM 1087 O ALA A 71 -11.710 3.392 -8.601 1.00 0.00 O ATOM 1088 CB ALA A 71 -8.865 2.011 -8.612 1.00 0.00 C ATOM 0 H ALA A 71 -8.568 1.682 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.334 3.908 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.164 2.316 -9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.790 2.150 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.113 0.960 -8.463 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.718 1.843 -6.970 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.159 1.636 -7.042 1.00 0.00 C ATOM 1096 C LYS A 72 -13.883 2.796 -6.370 1.00 0.00 C ATOM 1097 O LYS A 72 -14.751 3.426 -6.973 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.533 0.308 -6.366 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.293 -0.856 -7.347 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.418 -2.210 -6.627 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.081 -3.332 -7.610 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.107 -4.639 -6.893 1.00 0.00 N ATOM 0 H LYS A 72 -11.240 1.272 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.463 1.592 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.937 0.166 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.578 0.327 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.014 -0.805 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.302 -0.765 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.744 -2.245 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.429 -2.339 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.798 -3.340 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.097 -3.164 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.878 -5.405 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.406 -4.627 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.055 -4.798 -6.495 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.518 3.086 -5.124 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.148 4.181 -4.415 1.00 0.00 C ATOM 1118 C HIS A 73 -13.938 5.476 -5.179 1.00 0.00 C ATOM 1119 O HIS A 73 -14.862 6.275 -5.322 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.588 4.291 -2.994 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.288 5.399 -2.254 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -15.657 5.396 -2.043 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -13.817 6.545 -1.662 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -15.961 6.510 -1.351 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -14.876 7.245 -1.093 1.00 0.00 N ATOM 0 H HIS A 73 -12.802 2.585 -4.598 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.218 3.988 -4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.723 3.347 -2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.516 4.486 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -12.783 6.855 -1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.961 6.777 -1.042 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -14.833 8.130 -0.587 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.736 5.666 -5.711 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.467 6.853 -6.497 1.00 0.00 C ATOM 1135 C CYS A 74 -13.115 6.662 -7.860 1.00 0.00 C ATOM 1136 O CYS A 74 -12.624 5.898 -8.690 1.00 0.00 O ATOM 1137 CB CYS A 74 -10.961 7.062 -6.649 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.651 8.659 -7.439 1.00 0.00 S ATOM 0 H CYS A 74 -11.949 5.024 -5.613 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.875 7.735 -6.003 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.478 7.027 -5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.530 6.259 -7.247 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.994 8.598 -8.691 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.241 7.333 -8.072 1.00 0.00 N ATOM 1145 CA GLN A 75 -14.975 7.200 -9.324 1.00 0.00 C ATOM 1146 C GLN A 75 -14.349 8.086 -10.392 1.00 0.00 C ATOM 1147 O GLN A 75 -14.793 8.133 -11.538 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.448 7.590 -9.089 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.333 7.165 -10.270 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.348 5.645 -10.399 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.437 4.937 -9.397 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.266 5.099 -11.582 1.00 0.00 N ATOM 0 H GLN A 75 -14.663 7.971 -7.397 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.930 6.167 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.809 7.121 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.523 8.668 -8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.348 7.535 -10.124 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.960 7.612 -11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.192 5.688 -12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.276 4.083 -11.677 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.300 8.790 -9.993 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.590 9.697 -10.895 1.00 0.00 C ATOM 1163 C GLU A 76 -11.161 9.249 -11.102 1.00 0.00 C ATOM 1164 O GLU A 76 -10.535 8.680 -10.207 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.610 11.117 -10.325 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.900 12.073 -11.288 1.00 0.00 C ATOM 1167 CD GLU A 76 -12.043 13.508 -10.797 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.457 13.688 -9.664 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.738 14.408 -11.563 1.00 0.00 O ATOM 0 H GLU A 76 -12.917 8.753 -9.048 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.096 9.684 -11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.639 11.441 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.119 11.135 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.845 11.809 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.325 11.978 -12.287 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.642 9.523 -12.293 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.283 9.159 -12.607 1.00 0.00 C ATOM 1178 C ASN A 77 -8.368 10.227 -12.043 1.00 0.00 C ATOM 1179 O ASN A 77 -8.083 11.224 -12.709 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.102 9.064 -14.123 1.00 0.00 C ATOM 1181 CG ASN A 77 -9.884 7.873 -14.668 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -9.345 6.770 -14.772 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -11.132 8.028 -15.014 1.00 0.00 N ATOM 0 H ASN A 77 -11.144 9.993 -13.046 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.044 8.188 -12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.446 9.983 -14.597 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.045 8.957 -14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.664 7.235 -15.372 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.576 8.942 -14.927 1.00 0.00 H new ATOM 1190 N LYS A 78 -7.938 10.042 -10.799 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.087 11.036 -10.152 1.00 0.00 C ATOM 1192 C LYS A 78 -6.030 11.550 -11.134 1.00 0.00 C ATOM 1193 O LYS A 78 -5.983 12.750 -11.393 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.425 10.445 -8.896 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.445 10.297 -7.753 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.667 11.659 -7.061 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.582 11.498 -5.846 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.910 12.846 -5.306 1.00 0.00 N ATOM 0 H LYS A 78 -8.160 9.228 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.707 11.878 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.994 9.472 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.605 11.088 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.390 9.921 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.087 9.566 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.709 12.076 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.108 12.364 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.495 10.973 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.091 10.895 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.532 12.747 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.034 13.330 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.393 13.405 -6.038 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.230 10.620 -11.700 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.189 10.933 -12.710 1.00 0.00 C ATOM 1214 C CYS A 79 -2.772 10.484 -12.300 1.00 0.00 C ATOM 1215 O CYS A 79 -2.116 9.792 -13.080 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.175 12.414 -13.132 1.00 0.00 C ATOM 1217 SG CYS A 79 -2.908 12.663 -14.404 1.00 0.00 S ATOM 0 H CYS A 79 -5.286 9.628 -11.470 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.481 10.341 -13.577 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.153 12.704 -13.515 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.970 13.048 -12.269 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.894 13.912 -14.764 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.257 10.843 -11.140 1.00 0.00 N ATOM 1224 CA PRO A 80 -0.879 10.431 -10.737 1.00 0.00 C ATOM 1225 C PRO A 80 -0.809 8.941 -10.400 1.00 0.00 C ATOM 1226 O PRO A 80 0.223 8.314 -10.599 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.602 11.280 -9.494 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.942 11.441 -8.888 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.886 11.644 -10.077 1.00 0.00 C ATOM 0 HA PRO A 80 -0.151 10.581 -11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.090 10.784 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.160 12.242 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.221 10.563 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.970 12.294 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.895 11.298 -9.855 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.964 12.695 -10.356 1.00 0.00 H new ATOM 1237 N VAL A 81 -1.916 8.389 -9.878 1.00 0.00 N ATOM 1238 CA VAL A 81 -1.964 6.971 -9.501 1.00 0.00 C ATOM 1239 C VAL A 81 -1.904 6.083 -10.756 1.00 0.00 C ATOM 1240 O VAL A 81 -2.862 6.065 -11.526 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.264 6.682 -8.733 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.130 5.360 -7.969 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.541 7.815 -7.737 1.00 0.00 C ATOM 0 H VAL A 81 -2.782 8.900 -9.709 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.106 6.749 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.088 6.612 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.053 5.158 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.939 4.550 -8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.302 5.430 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.463 7.606 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.714 7.889 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.643 8.757 -8.276 1.00 0.00 H new ATOM 1253 N PRO A 82 -0.819 5.362 -11.009 1.00 0.00 N ATOM 1254 CA PRO A 82 -0.712 4.501 -12.239 1.00 0.00 C ATOM 1255 C PRO A 82 -1.829 3.461 -12.374 1.00 0.00 C ATOM 1256 O PRO A 82 -2.451 3.328 -13.430 1.00 0.00 O ATOM 1257 CB PRO A 82 0.642 3.786 -12.072 1.00 0.00 C ATOM 1258 CG PRO A 82 1.432 4.642 -11.139 1.00 0.00 C ATOM 1259 CD PRO A 82 0.414 5.264 -10.185 1.00 0.00 C ATOM 0 HA PRO A 82 -0.797 5.113 -13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.509 2.783 -11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.150 3.678 -13.030 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.168 4.051 -10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.980 5.412 -11.683 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.259 4.643 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.740 6.243 -9.832 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.028 2.699 -11.313 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.018 1.624 -11.320 1.00 0.00 C ATOM 1269 C PHE A 83 -4.428 2.129 -11.612 1.00 0.00 C ATOM 1270 O PHE A 83 -5.154 1.532 -12.406 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.022 0.905 -9.966 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.624 0.873 -9.393 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.551 0.426 -10.173 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.403 1.291 -8.073 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.741 0.389 -9.631 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.114 1.255 -7.533 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.959 0.807 -8.313 1.00 0.00 C ATOM 0 H PHE A 83 -1.520 2.800 -10.434 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.732 0.939 -12.118 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.695 1.415 -9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.398 -0.111 -10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.719 0.110 -11.192 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.230 1.641 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.568 0.038 -10.230 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.054 1.573 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.956 0.784 -7.897 1.00 0.00 H new ATOM 1287 N CYS A 84 -4.827 3.208 -10.954 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.171 3.732 -11.160 1.00 0.00 C ATOM 1289 C CYS A 84 -6.426 3.937 -12.648 1.00 0.00 C ATOM 1290 O CYS A 84 -7.456 3.522 -13.173 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.369 5.044 -10.377 1.00 0.00 C ATOM 1292 SG CYS A 84 -5.881 6.474 -11.383 1.00 0.00 S ATOM 0 H CYS A 84 -4.256 3.728 -10.288 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.894 3.009 -10.783 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.413 5.142 -10.080 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.778 5.019 -9.461 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.592 6.466 -11.551 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.472 4.555 -13.328 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.601 4.784 -14.761 1.00 0.00 C ATOM 1300 C LEU A 85 -5.649 3.453 -15.511 1.00 0.00 C ATOM 1301 O LEU A 85 -6.358 3.307 -16.499 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.414 5.611 -15.281 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.507 7.075 -14.798 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.139 7.759 -14.947 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.529 7.852 -15.645 1.00 0.00 C ATOM 0 H LEU A 85 -4.607 4.905 -12.916 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.528 5.331 -14.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.479 5.169 -14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.397 5.584 -16.371 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.818 7.072 -13.753 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.209 8.792 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.399 7.228 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.836 7.743 -15.994 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.584 8.882 -15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.219 7.841 -16.690 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.509 7.384 -15.553 1.00 0.00 H new ATOM 1317 N ASN A 86 -4.881 2.487 -15.044 1.00 0.00 N ATOM 1318 CA ASN A 86 -4.828 1.190 -15.693 1.00 0.00 C ATOM 1319 C ASN A 86 -6.175 0.488 -15.631 1.00 0.00 C ATOM 1320 O ASN A 86 -6.538 -0.249 -16.545 1.00 0.00 O ATOM 1321 CB ASN A 86 -3.764 0.322 -15.032 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.383 0.921 -15.281 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.154 1.547 -16.316 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.448 0.771 -14.385 1.00 0.00 N ATOM 0 H ASN A 86 -4.287 2.575 -14.220 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.573 1.347 -16.741 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.953 0.252 -13.961 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.809 -0.691 -15.431 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.523 1.173 -14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.641 0.252 -13.529 1.00 0.00 H new ATOM 1331 N ILE A 87 -6.903 0.707 -14.540 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.210 0.083 -14.355 1.00 0.00 C ATOM 1333 C ILE A 87 -9.346 1.005 -14.800 1.00 0.00 C ATOM 1334 O ILE A 87 -10.228 0.592 -15.554 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.386 -0.283 -12.881 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.320 -1.309 -12.500 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -9.772 -0.889 -12.665 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.283 -1.473 -10.982 1.00 0.00 C ATOM 0 H ILE A 87 -6.611 1.311 -13.772 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.252 -0.813 -14.974 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.285 0.610 -12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.537 -2.266 -12.974 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.345 -0.987 -12.865 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.896 -1.149 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.534 -0.165 -12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.876 -1.786 -13.275 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.522 -2.205 -10.714 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.045 -0.516 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.256 -1.815 -10.629 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.336 2.247 -14.318 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.401 3.200 -14.670 1.00 0.00 C ATOM 1352 C LYS A 88 -10.288 3.724 -16.106 1.00 0.00 C ATOM 1353 O LYS A 88 -11.301 3.856 -16.796 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.447 4.382 -13.674 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.119 3.966 -12.347 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.649 3.892 -12.504 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.283 3.574 -11.150 1.00 0.00 C ATOM 1358 NZ LYS A 88 -14.753 3.403 -11.326 1.00 0.00 N ATOM 0 H LYS A 88 -8.619 2.617 -13.694 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.335 2.642 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.435 4.735 -13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.994 5.214 -14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.735 2.997 -12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.864 4.682 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.033 4.839 -12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.914 3.125 -13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.846 2.666 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.080 4.378 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.247 3.752 -10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.068 3.942 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.971 2.395 -11.463 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.077 4.040 -16.560 1.00 0.00 N ATOM 1373 CA GLN A 89 -8.908 4.566 -17.920 1.00 0.00 C ATOM 1374 C GLN A 89 -8.896 3.428 -18.936 1.00 0.00 C ATOM 1375 O GLN A 89 -9.251 3.626 -20.098 1.00 0.00 O ATOM 1376 CB GLN A 89 -7.599 5.361 -18.027 1.00 0.00 C ATOM 1377 CG GLN A 89 -7.682 6.355 -19.189 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.356 7.090 -19.330 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.324 6.468 -19.577 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.318 8.386 -19.182 1.00 0.00 N ATOM 0 H GLN A 89 -8.214 3.946 -16.024 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.748 5.227 -18.135 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.411 5.894 -17.095 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.762 4.680 -18.180 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.918 5.829 -20.114 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.487 7.068 -19.014 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.174 8.901 -18.977 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.432 8.884 -19.271 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.461 2.249 -18.477 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.366 1.046 -19.328 1.00 0.00 C ATOM 1391 C LYS A 90 -9.276 1.137 -20.561 1.00 0.00 C ATOM 1392 O LYS A 90 -8.754 1.067 -21.661 1.00 0.00 O ATOM 1393 CB LYS A 90 -8.738 -0.208 -18.500 1.00 0.00 C ATOM 1394 CG LYS A 90 -7.823 -1.392 -18.864 1.00 0.00 C ATOM 1395 CD LYS A 90 -8.111 -2.573 -17.936 1.00 0.00 C ATOM 1396 CE LYS A 90 -7.182 -3.735 -18.292 1.00 0.00 C ATOM 1397 NZ LYS A 90 -7.446 -4.881 -17.378 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.473 1.277 -20.379 1.00 0.00 O ATOM 0 H LYS A 90 -8.166 2.097 -17.513 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.337 0.973 -19.681 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.649 0.013 -17.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.778 -0.476 -18.684 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.986 -1.684 -19.901 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.778 -1.096 -18.777 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.962 -2.279 -16.897 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.152 -2.882 -18.034 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.341 -4.038 -19.327 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.141 -3.421 -18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.814 -5.671 -17.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.273 -4.588 -16.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.435 -5.185 -17.480 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.915 -11.334 14.512 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.505 -10.296 15.512 1.00 0.00 C ATOM 1574 C PRO B 12 -1.787 -9.103 14.868 1.00 0.00 C ATOM 1575 O PRO B 12 -0.607 -9.201 14.535 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.562 -11.071 16.436 1.00 0.00 C ATOM 1577 CG PRO B 12 -2.118 -12.456 16.446 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.651 -12.699 15.028 1.00 0.00 C ATOM 0 HA PRO B 12 -3.360 -9.852 16.022 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.538 -11.055 16.064 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.544 -10.642 17.438 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.350 -13.184 16.706 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.913 -12.554 17.185 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -1.923 -13.226 14.412 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.557 -13.305 15.039 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.456 -7.981 14.686 1.00 0.00 N ATOM 1587 CA PRO B 13 -1.823 -6.774 14.069 1.00 0.00 C ATOM 1588 C PRO B 13 -0.550 -6.360 14.806 1.00 0.00 C ATOM 1589 O PRO B 13 -0.538 -6.245 16.032 1.00 0.00 O ATOM 1590 CB PRO B 13 -2.912 -5.690 14.175 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.197 -6.445 14.279 1.00 0.00 C ATOM 1592 CD PRO B 13 -3.867 -7.729 15.035 1.00 0.00 C ATOM 0 HA PRO B 13 -1.506 -6.953 13.042 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -2.755 -5.056 15.047 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.907 -5.038 13.302 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -4.951 -5.862 14.809 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.601 -6.666 13.291 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.999 -7.607 16.110 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.510 -8.553 14.726 1.00 0.00 H new ATOM 1600 N LEU B 14 0.519 -6.139 14.045 1.00 0.00 N ATOM 1601 CA LEU B 14 1.805 -5.742 14.615 1.00 0.00 C ATOM 1602 C LEU B 14 2.077 -4.269 14.331 1.00 0.00 C ATOM 1603 O LEU B 14 3.176 -3.777 14.584 1.00 0.00 O ATOM 1604 CB LEU B 14 2.916 -6.601 14.005 1.00 0.00 C ATOM 1605 CG LEU B 14 2.594 -8.087 14.214 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.638 -8.937 13.490 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.611 -8.429 15.714 1.00 0.00 C ATOM 0 H LEU B 14 0.520 -6.228 13.029 1.00 0.00 H new ATOM 0 HA LEU B 14 1.778 -5.890 15.695 1.00 0.00 H new ATOM 0 HB2 LEU B 14 3.012 -6.386 12.941 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.873 -6.358 14.467 1.00 0.00 H new ATOM 0 HG LEU B 14 1.602 -8.295 13.813 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.412 -9.993 13.636 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.620 -8.706 12.425 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.627 -8.718 13.892 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.381 -9.486 15.849 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.598 -8.217 16.124 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.866 -7.826 16.233 1.00 0.00 H new ATOM 1619 N SER B 15 1.069 -3.580 13.787 1.00 0.00 N ATOM 1620 CA SER B 15 1.189 -2.159 13.443 1.00 0.00 C ATOM 1621 C SER B 15 1.750 -2.002 12.031 1.00 0.00 C ATOM 1622 O SER B 15 1.412 -1.057 11.318 1.00 0.00 O ATOM 1623 CB SER B 15 2.087 -1.421 14.450 1.00 0.00 C ATOM 1624 OG SER B 15 1.699 -0.055 14.508 1.00 0.00 O ATOM 0 H SER B 15 0.157 -3.985 13.575 1.00 0.00 H new ATOM 0 HA SER B 15 0.193 -1.717 13.483 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.001 -1.878 15.436 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.132 -1.502 14.151 1.00 0.00 H new ATOM 0 HG SER B 15 2.268 0.420 15.150 1.00 0.00 H new ATOM 1630 N GLN B 16 2.608 -2.942 11.635 1.00 0.00 N ATOM 1631 CA GLN B 16 3.217 -2.922 10.309 1.00 0.00 C ATOM 1632 C GLN B 16 2.684 -4.093 9.507 1.00 0.00 C ATOM 1633 O GLN B 16 3.374 -4.648 8.652 1.00 0.00 O ATOM 1634 CB GLN B 16 4.738 -3.037 10.428 1.00 0.00 C ATOM 1635 CG GLN B 16 5.295 -1.781 11.102 1.00 0.00 C ATOM 1636 CD GLN B 16 6.807 -1.903 11.262 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.292 -2.832 11.907 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.584 -1.012 10.710 1.00 0.00 N ATOM 0 H GLN B 16 2.896 -3.728 12.217 1.00 0.00 H new ATOM 0 HA GLN B 16 2.972 -1.984 9.811 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.002 -3.921 11.008 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.182 -3.160 9.440 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.054 -0.901 10.506 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.828 -1.644 12.077 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.179 -0.243 10.176 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.596 -1.084 10.813 1.00 0.00 H new ATOM 1647 N GLU B 17 1.450 -4.475 9.810 1.00 0.00 N ATOM 1648 CA GLU B 17 0.825 -5.598 9.136 1.00 0.00 C ATOM 1649 C GLU B 17 1.105 -5.551 7.636 1.00 0.00 C ATOM 1650 O GLU B 17 1.753 -6.444 7.090 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.687 -5.580 9.387 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.333 -6.810 8.744 1.00 0.00 C ATOM 1653 CD GLU B 17 -2.816 -6.866 9.101 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.320 -5.878 9.609 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.423 -7.898 8.864 1.00 0.00 O ATOM 0 H GLU B 17 0.867 -4.024 10.515 1.00 0.00 H new ATOM 0 HA GLU B 17 1.246 -6.520 9.536 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.887 -5.571 10.458 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.123 -4.671 8.973 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.212 -6.771 7.661 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.833 -7.715 9.088 1.00 0.00 H new ATOM 1662 N THR B 18 0.622 -4.501 6.976 1.00 0.00 N ATOM 1663 CA THR B 18 0.842 -4.355 5.539 1.00 0.00 C ATOM 1664 C THR B 18 2.231 -3.830 5.239 1.00 0.00 C ATOM 1665 O THR B 18 2.963 -4.428 4.446 1.00 0.00 O ATOM 1666 CB THR B 18 -0.200 -3.413 4.939 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.494 -3.805 5.375 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.128 -3.478 3.411 1.00 0.00 C ATOM 0 H THR B 18 0.083 -3.749 7.405 1.00 0.00 H new ATOM 0 HA THR B 18 0.746 -5.343 5.089 1.00 0.00 H new ATOM 0 HB THR B 18 -0.002 -2.392 5.265 1.00 0.00 H new ATOM 0 HG1 THR B 18 -1.598 -3.591 6.326 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.872 -2.806 2.983 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.866 -3.177 3.080 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.327 -4.497 3.080 1.00 0.00 H new ATOM 1676 N PHE B 19 2.588 -2.707 5.865 1.00 0.00 N ATOM 1677 CA PHE B 19 3.896 -2.100 5.642 1.00 0.00 C ATOM 1678 C PHE B 19 4.953 -3.177 5.471 1.00 0.00 C ATOM 1679 O PHE B 19 5.679 -3.210 4.463 1.00 0.00 O ATOM 1680 CB PHE B 19 4.259 -1.203 6.832 1.00 0.00 C ATOM 1681 CG PHE B 19 3.414 0.051 6.799 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.096 0.020 7.267 1.00 0.00 C ATOM 1683 CD2 PHE B 19 3.946 1.240 6.283 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.313 1.180 7.232 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.163 2.400 6.248 1.00 0.00 C ATOM 1686 CZ PHE B 19 1.846 2.370 6.718 1.00 0.00 C ATOM 0 H PHE B 19 1.994 -2.205 6.525 1.00 0.00 H new ATOM 0 HA PHE B 19 3.856 -1.499 4.734 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.096 -1.739 7.767 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.317 -0.942 6.794 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.682 -0.899 7.655 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.960 1.262 5.912 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.298 1.158 7.601 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.576 3.318 5.858 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.240 3.263 6.685 1.00 0.00 H new ATOM 1696 N SER B 20 5.021 -4.059 6.477 1.00 0.00 N ATOM 1697 CA SER B 20 5.980 -5.156 6.490 1.00 0.00 C ATOM 1698 C SER B 20 6.262 -5.652 5.086 1.00 0.00 C ATOM 1699 O SER B 20 7.388 -5.583 4.605 1.00 0.00 O ATOM 1700 CB SER B 20 5.413 -6.312 7.318 1.00 0.00 C ATOM 1701 OG SER B 20 6.294 -7.425 7.235 1.00 0.00 O ATOM 0 H SER B 20 4.414 -4.027 7.296 1.00 0.00 H new ATOM 0 HA SER B 20 6.910 -4.792 6.926 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.292 -6.006 8.357 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.425 -6.588 6.950 1.00 0.00 H new ATOM 0 HG SER B 20 5.935 -8.167 7.765 1.00 0.00 H new ATOM 1707 N ASP B 21 5.228 -6.148 4.439 1.00 0.00 N ATOM 1708 CA ASP B 21 5.361 -6.672 3.095 1.00 0.00 C ATOM 1709 C ASP B 21 5.772 -5.603 2.078 1.00 0.00 C ATOM 1710 O ASP B 21 6.610 -5.854 1.217 1.00 0.00 O ATOM 1711 CB ASP B 21 4.032 -7.286 2.665 1.00 0.00 C ATOM 1712 CG ASP B 21 3.780 -8.575 3.437 1.00 0.00 C ATOM 1713 OD1 ASP B 21 4.679 -9.007 4.141 1.00 0.00 O ATOM 1714 OD2 ASP B 21 2.690 -9.108 3.319 1.00 0.00 O ATOM 0 H ASP B 21 4.284 -6.199 4.823 1.00 0.00 H new ATOM 0 HA ASP B 21 6.153 -7.421 3.116 1.00 0.00 H new ATOM 0 HB2 ASP B 21 3.221 -6.580 2.845 1.00 0.00 H new ATOM 0 HB3 ASP B 21 4.046 -7.490 1.594 1.00 0.00 H new ATOM 1719 N LEU B 22 5.151 -4.434 2.139 1.00 0.00 N ATOM 1720 CA LEU B 22 5.442 -3.389 1.162 1.00 0.00 C ATOM 1721 C LEU B 22 6.925 -3.265 0.831 1.00 0.00 C ATOM 1722 O LEU B 22 7.327 -3.517 -0.306 1.00 0.00 O ATOM 1723 CB LEU B 22 4.968 -2.030 1.667 1.00 0.00 C ATOM 1724 CG LEU B 22 3.497 -2.092 2.073 1.00 0.00 C ATOM 1725 CD1 LEU B 22 3.012 -0.686 2.493 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.635 -2.600 0.900 1.00 0.00 C ATOM 0 H LEU B 22 4.454 -4.185 2.841 1.00 0.00 H new ATOM 0 HA LEU B 22 4.908 -3.685 0.259 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.574 -1.721 2.519 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.105 -1.279 0.889 1.00 0.00 H new ATOM 0 HG LEU B 22 3.397 -2.781 2.911 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.962 -0.735 2.782 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.605 -0.334 3.337 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.127 0.003 1.656 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.590 -2.638 1.206 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.740 -1.924 0.052 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.965 -3.598 0.611 1.00 0.00 H new ATOM 1738 N TRP B 23 7.730 -2.803 1.793 1.00 0.00 N ATOM 1739 CA TRP B 23 9.164 -2.573 1.517 1.00 0.00 C ATOM 1740 C TRP B 23 10.079 -3.770 1.826 1.00 0.00 C ATOM 1741 O TRP B 23 11.222 -3.774 1.379 1.00 0.00 O ATOM 1742 CB TRP B 23 9.654 -1.298 2.260 1.00 0.00 C ATOM 1743 CG TRP B 23 10.299 -1.645 3.566 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.631 -1.687 3.798 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.657 -2.006 4.809 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.841 -2.059 5.116 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.649 -2.267 5.779 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.318 -2.129 5.175 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.312 -2.647 7.079 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.969 -2.510 6.474 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.964 -2.771 7.427 1.00 0.00 C ATOM 0 H TRP B 23 7.432 -2.585 2.744 1.00 0.00 H new ATOM 0 HA TRP B 23 9.239 -2.431 0.439 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.364 -0.759 1.633 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.811 -0.629 2.434 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.403 -1.467 3.075 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.761 -2.166 5.543 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.544 -1.928 4.449 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 11.084 -2.843 7.808 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.928 -2.604 6.745 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.689 -3.067 8.428 1.00 0.00 H new ATOM 1762 N LYS B 24 9.631 -4.764 2.599 1.00 0.00 N ATOM 1763 CA LYS B 24 10.530 -5.893 2.917 1.00 0.00 C ATOM 1764 C LYS B 24 10.431 -7.043 1.912 1.00 0.00 C ATOM 1765 O LYS B 24 11.272 -7.939 1.934 1.00 0.00 O ATOM 1766 CB LYS B 24 10.278 -6.433 4.328 1.00 0.00 C ATOM 1767 CG LYS B 24 10.509 -5.313 5.357 1.00 0.00 C ATOM 1768 CD LYS B 24 10.636 -5.896 6.780 1.00 0.00 C ATOM 1769 CE LYS B 24 9.250 -6.226 7.364 1.00 0.00 C ATOM 1770 NZ LYS B 24 9.365 -7.434 8.234 1.00 0.00 N ATOM 0 H LYS B 24 8.696 -4.818 3.003 1.00 0.00 H new ATOM 0 HA LYS B 24 11.538 -5.484 2.858 1.00 0.00 H new ATOM 0 HB2 LYS B 24 9.258 -6.809 4.408 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.944 -7.271 4.532 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.414 -4.760 5.103 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.682 -4.604 5.322 1.00 0.00 H new ATOM 0 HD2 LYS B 24 11.248 -6.797 6.755 1.00 0.00 H new ATOM 0 HD3 LYS B 24 11.147 -5.182 7.426 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.873 -5.381 7.941 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.536 -6.407 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.433 -7.664 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 9.708 -8.237 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 10.035 -7.243 9.006 1.00 0.00 H new ATOM 1784 N LEU B 25 9.428 -7.037 1.025 1.00 0.00 N ATOM 1785 CA LEU B 25 9.306 -8.126 0.037 1.00 0.00 C ATOM 1786 C LEU B 25 9.934 -7.762 -1.315 1.00 0.00 C ATOM 1787 O LEU B 25 9.909 -8.573 -2.237 1.00 0.00 O ATOM 1788 CB LEU B 25 7.831 -8.509 -0.158 1.00 0.00 C ATOM 1789 CG LEU B 25 7.344 -9.463 0.957 1.00 0.00 C ATOM 1790 CD1 LEU B 25 5.827 -9.726 0.789 1.00 0.00 C ATOM 1791 CD2 LEU B 25 8.126 -10.803 0.905 1.00 0.00 C ATOM 0 H LEU B 25 8.708 -6.317 0.967 1.00 0.00 H new ATOM 0 HA LEU B 25 9.856 -8.979 0.435 1.00 0.00 H new ATOM 0 HB2 LEU B 25 7.217 -7.608 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.703 -8.987 -1.129 1.00 0.00 H new ATOM 0 HG LEU B 25 7.524 -8.996 1.925 1.00 0.00 H new ATOM 0 HD11 LEU B 25 5.485 -10.399 1.576 1.00 0.00 H new ATOM 0 HD12 LEU B 25 5.285 -8.783 0.857 1.00 0.00 H new ATOM 0 HD13 LEU B 25 5.642 -10.182 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU B 25 7.771 -11.463 1.697 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.968 -11.279 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU B 25 9.190 -10.609 1.044 1.00 0.00 H new ATOM 1803 N LEU B 26 10.488 -6.553 -1.438 1.00 0.00 N ATOM 1804 CA LEU B 26 11.107 -6.118 -2.683 1.00 0.00 C ATOM 1805 C LEU B 26 11.829 -7.304 -3.380 1.00 0.00 C ATOM 1806 O LEU B 26 12.817 -7.833 -2.882 1.00 0.00 O ATOM 1807 CB LEU B 26 12.014 -4.881 -2.392 1.00 0.00 C ATOM 1808 CG LEU B 26 13.391 -5.244 -1.766 1.00 0.00 C ATOM 1809 CD1 LEU B 26 14.467 -4.350 -2.375 1.00 0.00 C ATOM 1810 CD2 LEU B 26 13.423 -5.015 -0.238 1.00 0.00 C ATOM 0 H LEU B 26 10.518 -5.862 -0.689 1.00 0.00 H new ATOM 0 HA LEU B 26 10.355 -5.791 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU B 26 12.180 -4.338 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU B 26 11.486 -4.206 -1.719 1.00 0.00 H new ATOM 0 HG LEU B 26 13.565 -6.300 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU B 26 15.435 -4.599 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU B 26 14.502 -4.506 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.233 -3.306 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.406 -5.283 0.150 1.00 0.00 H new ATOM 0 HD22 LEU B 26 13.222 -3.965 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.663 -5.635 0.239 1.00 0.00 H new ATOM 1822 N PRO B 27 11.346 -7.796 -4.499 1.00 0.00 N ATOM 1823 CA PRO B 27 12.024 -8.932 -5.147 1.00 0.00 C ATOM 1824 C PRO B 27 13.498 -8.614 -5.347 1.00 0.00 C ATOM 1825 O PRO B 27 14.374 -9.414 -5.017 1.00 0.00 O ATOM 1826 CB PRO B 27 11.296 -9.093 -6.497 1.00 0.00 C ATOM 1827 CG PRO B 27 9.959 -8.450 -6.311 1.00 0.00 C ATOM 1828 CD PRO B 27 10.155 -7.364 -5.250 1.00 0.00 C ATOM 0 HA PRO B 27 11.986 -9.846 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO B 27 11.853 -8.614 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.192 -10.145 -6.763 1.00 0.00 H new ATOM 0 HG2 PRO B 27 9.599 -8.021 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.217 -9.180 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.306 -6.386 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO B 27 9.284 -7.282 -4.600 1.00 0.00 H new