USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 16 ASN : amide:sc= -1.66 K(o=-4,f=-5.1!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -1.35 K(o=-4,f=-4.5) USER MOD Set 1.3: A 21 LYS NZ :NH3+ -142:sc= -0.813 (180deg=-2.29!) USER MOD Set 1.4: A 63 MET CE :methyl 170:sc= -0.156 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 10 SER OG : rot -36:sc=1.12e-05 USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= 0.0729 (180deg=-0.246) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.823 F(o=-3.1,f=-0.82) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.0442 (180deg=-0.351) USER MOD Single : A 26 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0417 F(o=-0.65,f=-0.042) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.692 F(o=-1.4!,f=-0.69) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0419 F(o=-0.62,f=-0.042) USER MOD Single : A 39 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.62) USER MOD Single : A 40 ASN : amide:sc= -0.993 X(o=-0.99,f=-0.77) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc=-0.00451 X(o=-0.0045,f=-0.0018) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.544) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.32 K(o=-0.32,f=-3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0615 X(o=-0.062,f=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.433 -2.894 8.537 1.00 0.00 N ATOM 41 CA HIS A 3 -10.594 -3.688 9.427 1.00 0.00 C ATOM 42 C HIS A 3 -9.317 -4.129 8.721 1.00 0.00 C ATOM 43 O HIS A 3 -8.229 -4.071 9.292 1.00 0.00 O ATOM 44 CB HIS A 3 -11.359 -4.915 9.930 1.00 0.00 C ATOM 45 CG HIS A 3 -12.788 -4.632 10.280 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.180 -3.532 11.013 1.00 0.00 N ATOM 47 CD2 HIS A 3 -13.923 -5.313 9.992 1.00 0.00 C ATOM 48 CE1 HIS A 3 -14.492 -3.548 11.161 1.00 0.00 C ATOM 49 NE2 HIS A 3 -14.966 -4.618 10.550 1.00 0.00 N ATOM 0 HA HIS A 3 -10.323 -3.064 10.278 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.328 -5.690 9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.851 -5.314 10.808 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.994 -6.232 9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.077 -2.811 11.691 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.949 -4.885 10.501 1.00 0.00 H new ATOM 58 N GLU A 4 -9.461 -4.568 7.477 1.00 0.00 N ATOM 59 CA GLU A 4 -8.323 -5.022 6.686 1.00 0.00 C ATOM 60 C GLU A 4 -7.504 -3.843 6.155 1.00 0.00 C ATOM 61 O GLU A 4 -6.454 -4.024 5.543 1.00 0.00 O ATOM 62 CB GLU A 4 -8.801 -5.889 5.520 1.00 0.00 C ATOM 63 CG GLU A 4 -9.682 -7.051 5.948 1.00 0.00 C ATOM 64 CD GLU A 4 -10.429 -7.675 4.786 1.00 0.00 C ATOM 65 OE1 GLU A 4 -9.770 -8.267 3.906 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.674 -7.572 4.756 1.00 0.00 O ATOM 0 H GLU A 4 -10.357 -4.620 6.992 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.681 -5.614 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.353 -5.265 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.933 -6.279 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.066 -7.811 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.399 -6.704 6.692 1.00 0.00 H new ATOM 73 N PHE A 5 -7.985 -2.636 6.390 1.00 0.00 N ATOM 74 CA PHE A 5 -7.290 -1.445 5.942 1.00 0.00 C ATOM 75 C PHE A 5 -6.338 -0.946 7.015 1.00 0.00 C ATOM 76 O PHE A 5 -5.401 -0.202 6.740 1.00 0.00 O ATOM 77 CB PHE A 5 -8.285 -0.358 5.574 1.00 0.00 C ATOM 78 CG PHE A 5 -7.703 0.740 4.732 1.00 0.00 C ATOM 79 CD1 PHE A 5 -6.980 1.769 5.314 1.00 0.00 C ATOM 80 CD2 PHE A 5 -7.878 0.743 3.358 1.00 0.00 C ATOM 81 CE1 PHE A 5 -6.442 2.781 4.541 1.00 0.00 C ATOM 82 CE2 PHE A 5 -7.343 1.752 2.580 1.00 0.00 C ATOM 83 CZ PHE A 5 -6.625 2.773 3.171 1.00 0.00 C ATOM 0 H PHE A 5 -8.856 -2.455 6.889 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.708 -1.700 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.120 -0.810 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.690 0.075 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.835 1.780 6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.439 -0.052 2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.880 3.577 5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.486 1.742 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.208 3.563 2.564 1.00 0.00 H new ATOM 93 N ARG A 6 -6.583 -1.372 8.242 1.00 0.00 N ATOM 94 CA ARG A 6 -5.743 -0.994 9.360 1.00 0.00 C ATOM 95 C ARG A 6 -5.105 -2.239 9.949 1.00 0.00 C ATOM 96 O ARG A 6 -3.982 -2.200 10.451 1.00 0.00 O ATOM 97 CB ARG A 6 -6.556 -0.250 10.424 1.00 0.00 C ATOM 98 CG ARG A 6 -5.764 0.079 11.680 1.00 0.00 C ATOM 99 CD ARG A 6 -5.945 -0.988 12.748 1.00 0.00 C ATOM 100 NE ARG A 6 -5.141 -0.714 13.936 1.00 0.00 N ATOM 101 CZ ARG A 6 -5.113 -1.501 15.010 1.00 0.00 C ATOM 102 NH1 ARG A 6 -5.843 -2.608 15.048 1.00 0.00 N ATOM 103 NH2 ARG A 6 -4.353 -1.179 16.048 1.00 0.00 N ATOM 0 H ARG A 6 -7.362 -1.983 8.488 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.962 -0.320 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.939 0.675 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.420 -0.856 10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.707 0.171 11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.084 1.045 12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.997 -1.046 13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.669 -1.960 12.340 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.567 0.129 13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.429 -2.860 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.818 -3.207 15.873 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.790 -0.329 16.024 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.331 -1.782 16.871 1.00 0.00 H new ATOM 117 N ASP A 7 -5.827 -3.352 9.864 1.00 0.00 N ATOM 118 CA ASP A 7 -5.325 -4.612 10.367 1.00 0.00 C ATOM 119 C ASP A 7 -4.573 -5.350 9.276 1.00 0.00 C ATOM 120 O ASP A 7 -3.588 -6.032 9.552 1.00 0.00 O ATOM 121 CB ASP A 7 -6.463 -5.479 10.909 1.00 0.00 C ATOM 122 CG ASP A 7 -7.328 -4.745 11.918 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.209 -3.505 12.013 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.124 -5.410 12.612 1.00 0.00 O ATOM 0 H ASP A 7 -6.759 -3.400 9.451 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.640 -4.402 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.085 -5.815 10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.045 -6.371 11.376 1.00 0.00 H new ATOM 129 N GLU A 8 -5.008 -5.193 8.027 1.00 0.00 N ATOM 130 CA GLU A 8 -4.308 -5.844 6.931 1.00 0.00 C ATOM 131 C GLU A 8 -3.239 -4.910 6.389 1.00 0.00 C ATOM 132 O GLU A 8 -2.240 -5.358 5.832 1.00 0.00 O ATOM 133 CB GLU A 8 -5.263 -6.299 5.825 1.00 0.00 C ATOM 134 CG GLU A 8 -5.266 -7.804 5.608 1.00 0.00 C ATOM 135 CD GLU A 8 -5.677 -8.189 4.200 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.750 -7.735 3.751 1.00 0.00 O ATOM 137 OE2 GLU A 8 -4.924 -8.943 3.548 1.00 0.00 O ATOM 0 H GLU A 8 -5.819 -4.636 7.757 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.834 -6.747 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.274 -5.973 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.988 -5.806 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.271 -8.199 5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.947 -8.269 6.321 1.00 0.00 H new ATOM 144 N ILE A 9 -3.430 -3.604 6.569 1.00 0.00 N ATOM 145 CA ILE A 9 -2.432 -2.655 6.100 1.00 0.00 C ATOM 146 C ILE A 9 -1.314 -2.494 7.120 1.00 0.00 C ATOM 147 O ILE A 9 -0.173 -2.220 6.755 1.00 0.00 O ATOM 148 CB ILE A 9 -3.033 -1.271 5.798 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.123 -1.386 4.730 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.940 -0.307 5.357 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.569 -0.057 4.158 1.00 0.00 C ATOM 0 H ILE A 9 -4.244 -3.191 7.024 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.034 -3.066 5.172 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.488 -0.879 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.757 -2.014 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.987 -1.893 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.378 0.668 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.200 -0.208 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.458 -0.690 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.342 -0.225 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.968 0.568 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.718 0.444 3.696 1.00 0.00 H new ATOM 163 N SER A 10 -1.639 -2.638 8.399 1.00 0.00 N ATOM 164 CA SER A 10 -0.630 -2.477 9.434 1.00 0.00 C ATOM 165 C SER A 10 0.054 -3.790 9.804 1.00 0.00 C ATOM 166 O SER A 10 1.148 -3.782 10.364 1.00 0.00 O ATOM 167 CB SER A 10 -1.243 -1.836 10.680 1.00 0.00 C ATOM 168 OG SER A 10 -0.242 -1.262 11.503 1.00 0.00 O ATOM 0 H SER A 10 -2.575 -2.862 8.738 1.00 0.00 H new ATOM 0 HA SER A 10 0.138 -1.821 9.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.959 -1.069 10.384 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.796 -2.587 11.244 1.00 0.00 H new ATOM 0 HG SER A 10 0.566 -1.816 11.470 1.00 0.00 H new ATOM 174 N VAL A 11 -0.590 -4.916 9.528 1.00 0.00 N ATOM 175 CA VAL A 11 -0.010 -6.208 9.883 1.00 0.00 C ATOM 176 C VAL A 11 0.846 -6.800 8.767 1.00 0.00 C ATOM 177 O VAL A 11 1.822 -7.497 9.036 1.00 0.00 O ATOM 178 CB VAL A 11 -1.098 -7.223 10.291 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.488 -8.585 10.593 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.874 -6.710 11.494 1.00 0.00 C ATOM 0 H VAL A 11 -1.499 -4.964 9.067 1.00 0.00 H new ATOM 0 HA VAL A 11 0.641 -6.015 10.736 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.786 -7.339 9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.276 -9.282 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.024 -8.959 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.226 -8.491 11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.638 -7.436 11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.192 -6.564 12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.349 -5.761 11.243 1.00 0.00 H new ATOM 190 N LEU A 12 0.477 -6.543 7.523 1.00 0.00 N ATOM 191 CA LEU A 12 1.223 -7.080 6.390 1.00 0.00 C ATOM 192 C LEU A 12 2.320 -6.131 5.946 1.00 0.00 C ATOM 193 O LEU A 12 3.426 -6.557 5.615 1.00 0.00 O ATOM 194 CB LEU A 12 0.288 -7.361 5.217 1.00 0.00 C ATOM 195 CG LEU A 12 -1.117 -7.793 5.615 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.070 -7.671 4.436 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.107 -9.214 6.159 1.00 0.00 C ATOM 0 H LEU A 12 -0.328 -5.970 7.270 1.00 0.00 H new ATOM 0 HA LEU A 12 1.684 -8.012 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.217 -6.463 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.731 -8.139 4.595 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.469 -7.130 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.068 -7.984 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.102 -6.635 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.724 -8.306 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.120 -9.504 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.732 -9.894 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.461 -9.263 7.036 1.00 0.00 H new ATOM 209 N LYS A 13 2.005 -4.847 5.923 1.00 0.00 N ATOM 210 CA LYS A 13 2.977 -3.847 5.494 1.00 0.00 C ATOM 211 C LYS A 13 3.969 -3.523 6.607 1.00 0.00 C ATOM 212 O LYS A 13 5.146 -3.282 6.343 1.00 0.00 O ATOM 213 CB LYS A 13 2.261 -2.583 4.997 1.00 0.00 C ATOM 214 CG LYS A 13 2.879 -1.271 5.464 1.00 0.00 C ATOM 215 CD LYS A 13 2.396 -0.891 6.855 1.00 0.00 C ATOM 216 CE LYS A 13 1.301 0.162 6.794 1.00 0.00 C ATOM 217 NZ LYS A 13 1.859 1.542 6.760 1.00 0.00 N ATOM 0 H LYS A 13 1.095 -4.472 6.192 1.00 0.00 H new ATOM 0 HA LYS A 13 3.549 -4.262 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.249 -2.595 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.223 -2.617 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.965 -1.360 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.626 -0.478 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.022 -1.778 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.233 -0.514 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.687 -0.003 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.647 0.056 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.462 2.096 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.894 1.500 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.611 1.995 5.857 1.00 0.00 H new ATOM 231 N ALA A 14 3.496 -3.515 7.845 1.00 0.00 N ATOM 232 CA ALA A 14 4.363 -3.216 8.979 1.00 0.00 C ATOM 233 C ALA A 14 5.158 -4.442 9.423 1.00 0.00 C ATOM 234 O ALA A 14 5.989 -4.352 10.327 1.00 0.00 O ATOM 235 CB ALA A 14 3.551 -2.663 10.140 1.00 0.00 C ATOM 0 H ALA A 14 2.525 -3.710 8.090 1.00 0.00 H new ATOM 0 HA ALA A 14 5.077 -2.459 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.214 -2.446 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.048 -1.748 9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.808 -3.399 10.447 1.00 0.00 H new ATOM 241 N ASN A 15 4.897 -5.592 8.800 1.00 0.00 N ATOM 242 CA ASN A 15 5.597 -6.822 9.167 1.00 0.00 C ATOM 243 C ASN A 15 6.208 -7.530 7.966 1.00 0.00 C ATOM 244 O ASN A 15 6.850 -8.569 8.121 1.00 0.00 O ATOM 245 CB ASN A 15 4.655 -7.772 9.906 1.00 0.00 C ATOM 246 CG ASN A 15 4.001 -7.122 11.110 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.091 -6.188 10.859 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.312 -7.455 12.253 1.00 0.00 N flip ATOM 0 H ASN A 15 4.215 -5.697 8.049 1.00 0.00 H new ATOM 0 HA ASN A 15 6.417 -6.532 9.824 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.882 -8.119 9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.212 -8.651 10.230 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.017 -8.178 12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.865 -7.008 13.054 1.00 0.00 H new ATOM 255 N ASN A 16 6.025 -6.980 6.774 1.00 0.00 N ATOM 256 CA ASN A 16 6.591 -7.599 5.588 1.00 0.00 C ATOM 257 C ASN A 16 8.064 -7.227 5.442 1.00 0.00 C ATOM 258 O ASN A 16 8.495 -6.186 5.930 1.00 0.00 O ATOM 259 CB ASN A 16 5.814 -7.189 4.335 1.00 0.00 C ATOM 260 CG ASN A 16 4.781 -8.221 3.929 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.134 -8.836 4.776 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.620 -8.417 2.624 1.00 0.00 N ATOM 0 H ASN A 16 5.499 -6.123 6.605 1.00 0.00 H new ATOM 0 HA ASN A 16 6.513 -8.680 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.319 -6.235 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.512 -7.036 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.939 -9.099 2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.178 -7.885 1.956 1.00 0.00 H new ATOM 269 N PRO A 17 8.861 -8.073 4.768 1.00 0.00 N ATOM 270 CA PRO A 17 10.290 -7.811 4.570 1.00 0.00 C ATOM 271 C PRO A 17 10.527 -6.632 3.648 1.00 0.00 C ATOM 272 O PRO A 17 11.399 -5.798 3.893 1.00 0.00 O ATOM 273 CB PRO A 17 10.812 -9.106 3.944 1.00 0.00 C ATOM 274 CG PRO A 17 9.619 -9.725 3.299 1.00 0.00 C ATOM 275 CD PRO A 17 8.440 -9.344 4.151 1.00 0.00 C ATOM 0 HA PRO A 17 10.793 -7.550 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.596 -8.905 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.241 -9.766 4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.496 -9.363 2.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.725 -10.808 3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.536 -9.221 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.225 -10.104 4.902 1.00 0.00 H new ATOM 283 N HIS A 18 9.733 -6.562 2.600 1.00 0.00 N ATOM 284 CA HIS A 18 9.830 -5.478 1.641 1.00 0.00 C ATOM 285 C HIS A 18 9.542 -4.141 2.316 1.00 0.00 C ATOM 286 O HIS A 18 9.917 -3.085 1.805 1.00 0.00 O ATOM 287 CB HIS A 18 8.842 -5.727 0.511 1.00 0.00 C ATOM 288 CG HIS A 18 9.447 -5.618 -0.855 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.140 -6.482 -1.885 1.00 0.00 N ATOM 290 CD2 HIS A 18 10.347 -4.740 -1.358 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.824 -6.139 -2.963 1.00 0.00 C ATOM 292 NE2 HIS A 18 10.563 -5.086 -2.669 1.00 0.00 N ATOM 0 H HIS A 18 9.008 -7.248 2.389 1.00 0.00 H new ATOM 0 HA HIS A 18 10.842 -5.440 1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.412 -6.721 0.629 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.022 -5.013 0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.809 -3.921 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 18 9.785 -6.636 -3.921 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.193 -4.606 -3.312 1.00 0.00 H new ATOM 301 N PHE A 19 8.879 -4.190 3.472 1.00 0.00 N ATOM 302 CA PHE A 19 8.551 -2.978 4.214 1.00 0.00 C ATOM 303 C PHE A 19 9.786 -2.103 4.380 1.00 0.00 C ATOM 304 O PHE A 19 9.701 -0.879 4.368 1.00 0.00 O ATOM 305 CB PHE A 19 7.939 -3.330 5.580 1.00 0.00 C ATOM 306 CG PHE A 19 8.905 -3.288 6.736 1.00 0.00 C ATOM 307 CD1 PHE A 19 10.015 -4.117 6.766 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.698 -2.416 7.793 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.900 -4.077 7.828 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.579 -2.371 8.858 1.00 0.00 C ATOM 311 CZ PHE A 19 10.681 -3.203 8.875 1.00 0.00 C ATOM 0 H PHE A 19 8.561 -5.054 3.911 1.00 0.00 H new ATOM 0 HA PHE A 19 7.810 -2.415 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.120 -2.640 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.507 -4.329 5.522 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.191 -4.803 5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.838 -1.763 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.761 -4.728 7.839 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.405 -1.686 9.675 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.371 -3.170 9.706 1.00 0.00 H new ATOM 321 N ASP A 20 10.941 -2.732 4.519 1.00 0.00 N ATOM 322 CA ASP A 20 12.185 -1.993 4.670 1.00 0.00 C ATOM 323 C ASP A 20 12.228 -0.823 3.697 1.00 0.00 C ATOM 324 O ASP A 20 12.471 0.315 4.083 1.00 0.00 O ATOM 325 CB ASP A 20 13.375 -2.906 4.418 1.00 0.00 C ATOM 326 CG ASP A 20 13.815 -3.647 5.666 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.550 -3.146 6.778 1.00 0.00 O ATOM 328 OD2 ASP A 20 14.423 -4.729 5.530 1.00 0.00 O ATOM 0 H ASP A 20 11.044 -3.747 4.531 1.00 0.00 H new ATOM 0 HA ASP A 20 12.235 -1.612 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.117 -3.628 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.208 -2.315 4.038 1.00 0.00 H new ATOM 333 N LYS A 21 11.986 -1.126 2.432 1.00 0.00 N ATOM 334 CA LYS A 21 11.984 -0.116 1.386 1.00 0.00 C ATOM 335 C LYS A 21 10.591 0.467 1.168 1.00 0.00 C ATOM 336 O LYS A 21 10.404 1.684 1.176 1.00 0.00 O ATOM 337 CB LYS A 21 12.511 -0.715 0.081 1.00 0.00 C ATOM 338 CG LYS A 21 14.004 -0.511 -0.122 1.00 0.00 C ATOM 339 CD LYS A 21 14.763 -1.827 -0.061 1.00 0.00 C ATOM 340 CE LYS A 21 14.521 -2.667 -1.305 1.00 0.00 C ATOM 341 NZ LYS A 21 13.361 -3.586 -1.140 1.00 0.00 N ATOM 0 H LYS A 21 11.787 -2.071 2.103 1.00 0.00 H new ATOM 0 HA LYS A 21 12.638 0.696 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.293 -1.783 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.974 -0.269 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.179 -0.034 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.386 0.166 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.830 -1.629 0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.454 -2.386 0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.345 -2.011 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.415 -3.248 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.569 -4.494 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.185 -3.744 -0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.517 -3.162 -1.576 1.00 0.00 H new ATOM 355 N ILE A 22 9.625 -0.415 0.949 1.00 0.00 N ATOM 356 CA ILE A 22 8.244 -0.007 0.696 1.00 0.00 C ATOM 357 C ILE A 22 7.621 0.699 1.894 1.00 0.00 C ATOM 358 O ILE A 22 6.796 1.599 1.732 1.00 0.00 O ATOM 359 CB ILE A 22 7.354 -1.212 0.329 1.00 0.00 C ATOM 360 CG1 ILE A 22 8.086 -2.161 -0.625 1.00 0.00 C ATOM 361 CG2 ILE A 22 6.048 -0.732 -0.288 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.214 -3.282 -1.150 1.00 0.00 C ATOM 0 H ILE A 22 9.771 -1.424 0.941 1.00 0.00 H new ATOM 0 HA ILE A 22 8.292 0.687 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 22 7.127 -1.763 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.474 -1.588 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.945 -2.591 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.428 -1.592 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.518 -0.102 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.261 -0.158 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.798 -3.914 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.847 -3.879 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.369 -2.861 -1.694 1.00 0.00 H new ATOM 374 N PHE A 23 8.003 0.283 3.094 1.00 0.00 N ATOM 375 CA PHE A 23 7.454 0.879 4.309 1.00 0.00 C ATOM 376 C PHE A 23 8.287 2.067 4.777 1.00 0.00 C ATOM 377 O PHE A 23 7.754 2.995 5.384 1.00 0.00 O ATOM 378 CB PHE A 23 7.333 -0.170 5.420 1.00 0.00 C ATOM 379 CG PHE A 23 6.845 0.379 6.729 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.490 0.536 6.970 1.00 0.00 C ATOM 381 CD2 PHE A 23 7.745 0.727 7.722 1.00 0.00 C ATOM 382 CE1 PHE A 23 5.042 1.035 8.177 1.00 0.00 C ATOM 383 CE2 PHE A 23 7.303 1.228 8.931 1.00 0.00 C ATOM 384 CZ PHE A 23 5.949 1.382 9.160 1.00 0.00 C ATOM 0 H PHE A 23 8.685 -0.458 3.254 1.00 0.00 H new ATOM 0 HA PHE A 23 6.457 1.249 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.653 -0.955 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.307 -0.635 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.776 0.265 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.804 0.605 7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.983 1.154 8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.015 1.499 9.697 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.601 1.773 10.105 1.00 0.00 H new ATOM 394 N GLU A 24 9.589 2.054 4.491 1.00 0.00 N ATOM 395 CA GLU A 24 10.443 3.166 4.897 1.00 0.00 C ATOM 396 C GLU A 24 10.166 4.384 4.029 1.00 0.00 C ATOM 397 O GLU A 24 10.146 5.513 4.515 1.00 0.00 O ATOM 398 CB GLU A 24 11.919 2.785 4.815 1.00 0.00 C ATOM 399 CG GLU A 24 12.864 3.913 5.201 1.00 0.00 C ATOM 400 CD GLU A 24 13.475 3.717 6.574 1.00 0.00 C ATOM 401 OE1 GLU A 24 12.847 3.036 7.413 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.584 4.242 6.812 1.00 0.00 O ATOM 0 H GLU A 24 10.066 1.303 3.991 1.00 0.00 H new ATOM 0 HA GLU A 24 10.213 3.408 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.101 1.931 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.146 2.464 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.660 3.985 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.323 4.859 5.180 1.00 0.00 H new ATOM 409 N LYS A 25 9.940 4.144 2.744 1.00 0.00 N ATOM 410 CA LYS A 25 9.648 5.219 1.808 1.00 0.00 C ATOM 411 C LYS A 25 8.236 5.739 2.031 1.00 0.00 C ATOM 412 O LYS A 25 7.982 6.940 1.955 1.00 0.00 O ATOM 413 CB LYS A 25 9.807 4.730 0.367 1.00 0.00 C ATOM 414 CG LYS A 25 11.132 5.117 -0.266 1.00 0.00 C ATOM 415 CD LYS A 25 12.280 4.289 0.290 1.00 0.00 C ATOM 416 CE LYS A 25 13.462 4.263 -0.667 1.00 0.00 C ATOM 417 NZ LYS A 25 13.155 3.502 -1.910 1.00 0.00 N ATOM 0 H LYS A 25 9.954 3.213 2.327 1.00 0.00 H new ATOM 0 HA LYS A 25 10.355 6.031 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.709 3.645 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.994 5.134 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.074 4.981 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.326 6.175 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.596 4.700 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.939 3.271 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.741 5.284 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.322 3.814 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.042 3.187 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.572 2.674 -1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.636 4.114 -2.572 1.00 0.00 H new ATOM 431 N HIS A 26 7.321 4.821 2.317 1.00 0.00 N ATOM 432 CA HIS A 26 5.933 5.181 2.564 1.00 0.00 C ATOM 433 C HIS A 26 5.798 5.855 3.922 1.00 0.00 C ATOM 434 O HIS A 26 5.074 6.838 4.071 1.00 0.00 O ATOM 435 CB HIS A 26 5.038 3.941 2.499 1.00 0.00 C ATOM 436 CG HIS A 26 3.592 4.231 2.764 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.935 5.328 2.246 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.675 3.561 3.500 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.679 5.319 2.652 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.495 4.257 3.413 1.00 0.00 N ATOM 0 H HIS A 26 7.516 3.822 2.383 1.00 0.00 H new ATOM 0 HA HIS A 26 5.614 5.880 1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.134 3.485 1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.392 3.209 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.841 2.648 4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.929 6.056 2.403 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.618 3.996 3.864 1.00 0.00 H new ATOM 449 N ASN A 27 6.506 5.317 4.909 1.00 0.00 N ATOM 450 CA ASN A 27 6.469 5.869 6.259 1.00 0.00 C ATOM 451 C ASN A 27 7.129 7.244 6.309 1.00 0.00 C ATOM 452 O ASN A 27 6.731 8.101 7.097 1.00 0.00 O ATOM 453 CB ASN A 27 7.157 4.921 7.242 1.00 0.00 C ATOM 454 CG ASN A 27 7.004 5.370 8.683 1.00 0.00 C ATOM 455 OD1 ASN A 27 7.907 6.235 9.132 1.00 0.00 O flip ATOM 456 ND2 ASN A 27 6.085 4.945 9.383 1.00 0.00 N flip ATOM 0 H ASN A 27 7.110 4.502 4.801 1.00 0.00 H new ATOM 0 HA ASN A 27 5.424 5.981 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.739 3.920 7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.217 4.854 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.414 4.281 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.994 5.257 10.350 1.00 0.00 H new ATOM 463 N GLN A 28 8.133 7.454 5.461 1.00 0.00 N ATOM 464 CA GLN A 28 8.829 8.735 5.417 1.00 0.00 C ATOM 465 C GLN A 28 7.933 9.795 4.794 1.00 0.00 C ATOM 466 O GLN A 28 7.934 10.952 5.213 1.00 0.00 O ATOM 467 CB GLN A 28 10.136 8.616 4.630 1.00 0.00 C ATOM 468 CG GLN A 28 11.378 8.777 5.493 1.00 0.00 C ATOM 469 CD GLN A 28 11.412 10.105 6.223 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.855 10.133 7.429 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 11.932 11.095 5.709 1.00 0.00 N flip ATOM 0 H GLN A 28 8.480 6.759 4.800 1.00 0.00 H new ATOM 0 HA GLN A 28 9.071 9.031 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.168 7.644 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.148 9.371 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.419 7.966 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.265 8.688 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.348 11.028 4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.947 11.982 6.212 1.00 0.00 H new ATOM 480 N LEU A 29 7.153 9.382 3.801 1.00 0.00 N ATOM 481 CA LEU A 29 6.235 10.287 3.132 1.00 0.00 C ATOM 482 C LEU A 29 5.157 10.731 4.103 1.00 0.00 C ATOM 483 O LEU A 29 4.936 11.925 4.299 1.00 0.00 O ATOM 484 CB LEU A 29 5.604 9.610 1.915 1.00 0.00 C ATOM 485 CG LEU A 29 6.547 9.411 0.729 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.902 8.516 -0.317 1.00 0.00 C ATOM 487 CD2 LEU A 29 6.932 10.752 0.124 1.00 0.00 C ATOM 0 H LEU A 29 7.140 8.427 3.444 1.00 0.00 H new ATOM 0 HA LEU A 29 6.790 11.160 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.216 8.638 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.752 10.205 1.587 1.00 0.00 H new ATOM 0 HG LEU A 29 7.454 8.924 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.586 8.384 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.677 7.545 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.980 8.976 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.604 10.591 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.035 11.267 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.434 11.360 0.877 1.00 0.00 H new ATOM 499 N ASP A 30 4.508 9.758 4.734 1.00 0.00 N ATOM 500 CA ASP A 30 3.470 10.053 5.712 1.00 0.00 C ATOM 501 C ASP A 30 4.052 10.891 6.842 1.00 0.00 C ATOM 502 O ASP A 30 3.347 11.672 7.479 1.00 0.00 O ATOM 503 CB ASP A 30 2.866 8.760 6.266 1.00 0.00 C ATOM 504 CG ASP A 30 1.702 9.018 7.203 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.269 10.186 7.306 1.00 0.00 O ATOM 506 OD2 ASP A 30 1.225 8.053 7.836 1.00 0.00 O ATOM 0 H ASP A 30 4.682 8.764 4.586 1.00 0.00 H new ATOM 0 HA ASP A 30 2.676 10.616 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.530 8.136 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.637 8.200 6.795 1.00 0.00 H new ATOM 511 N ASP A 31 5.354 10.744 7.070 1.00 0.00 N ATOM 512 CA ASP A 31 6.029 11.517 8.099 1.00 0.00 C ATOM 513 C ASP A 31 6.232 12.945 7.607 1.00 0.00 C ATOM 514 O ASP A 31 6.303 13.886 8.396 1.00 0.00 O ATOM 515 CB ASP A 31 7.373 10.880 8.462 1.00 0.00 C ATOM 516 CG ASP A 31 7.312 10.106 9.764 1.00 0.00 C ATOM 517 OD1 ASP A 31 7.041 10.728 10.812 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.532 8.877 9.734 1.00 0.00 O ATOM 0 H ASP A 31 5.957 10.100 6.558 1.00 0.00 H new ATOM 0 HA ASP A 31 5.411 11.529 8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.684 10.212 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.132 11.659 8.540 1.00 0.00 H new ATOM 523 N ASP A 32 6.302 13.092 6.285 1.00 0.00 N ATOM 524 CA ASP A 32 6.470 14.396 5.664 1.00 0.00 C ATOM 525 C ASP A 32 5.108 15.045 5.437 1.00 0.00 C ATOM 526 O ASP A 32 4.983 16.270 5.431 1.00 0.00 O ATOM 527 CB ASP A 32 7.216 14.263 4.334 1.00 0.00 C ATOM 528 CG ASP A 32 8.721 14.309 4.509 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.208 13.877 5.576 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.413 14.776 3.580 1.00 0.00 O ATOM 0 H ASP A 32 6.244 12.317 5.624 1.00 0.00 H new ATOM 0 HA ASP A 32 7.058 15.026 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.937 13.324 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.906 15.066 3.665 1.00 0.00 H new ATOM 535 N ILE A 33 4.086 14.210 5.255 1.00 0.00 N ATOM 536 CA ILE A 33 2.735 14.691 5.036 1.00 0.00 C ATOM 537 C ILE A 33 2.106 15.129 6.354 1.00 0.00 C ATOM 538 O ILE A 33 1.312 16.069 6.394 1.00 0.00 O ATOM 539 CB ILE A 33 1.852 13.612 4.366 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.277 12.642 5.402 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.636 12.853 3.303 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.054 13.086 5.969 1.00 0.00 C ATOM 0 H ILE A 33 4.175 13.194 5.256 1.00 0.00 H new ATOM 0 HA ILE A 33 2.795 15.547 4.364 1.00 0.00 H new ATOM 0 HB ILE A 33 1.019 14.122 3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.158 11.660 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.991 12.528 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.994 12.100 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.980 13.549 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.496 12.366 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.403 12.353 6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.063 14.054 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.782 13.172 5.163 1.00 0.00 H new ATOM 554 N LYS A 34 2.476 14.446 7.435 1.00 0.00 N ATOM 555 CA LYS A 34 1.954 14.776 8.753 1.00 0.00 C ATOM 556 C LYS A 34 2.680 15.988 9.314 1.00 0.00 C ATOM 557 O LYS A 34 2.068 16.868 9.917 1.00 0.00 O ATOM 558 CB LYS A 34 2.099 13.591 9.704 1.00 0.00 C ATOM 559 CG LYS A 34 3.543 13.224 10.008 1.00 0.00 C ATOM 560 CD LYS A 34 3.632 11.975 10.871 1.00 0.00 C ATOM 561 CE LYS A 34 3.310 12.279 12.325 1.00 0.00 C ATOM 562 NZ LYS A 34 4.543 12.433 13.146 1.00 0.00 N ATOM 0 H LYS A 34 3.132 13.665 7.422 1.00 0.00 H new ATOM 0 HA LYS A 34 0.894 15.010 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.588 13.822 10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.597 12.726 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.082 13.062 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.031 14.055 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.941 11.221 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.634 11.553 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.719 13.193 12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.697 11.477 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.281 12.639 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.095 11.552 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.116 13.215 12.769 1.00 0.00 H new ATOM 576 N THR A 35 3.991 16.035 9.096 1.00 0.00 N ATOM 577 CA THR A 35 4.789 17.156 9.567 1.00 0.00 C ATOM 578 C THR A 35 4.411 18.413 8.794 1.00 0.00 C ATOM 579 O THR A 35 4.548 19.530 9.294 1.00 0.00 O ATOM 580 CB THR A 35 6.285 16.862 9.413 1.00 0.00 C ATOM 581 OG1 THR A 35 7.059 17.835 10.091 1.00 0.00 O ATOM 582 CG2 THR A 35 6.749 16.829 7.974 1.00 0.00 C ATOM 0 H THR A 35 4.517 15.315 8.600 1.00 0.00 H new ATOM 0 HA THR A 35 4.585 17.312 10.626 1.00 0.00 H new ATOM 0 HB THR A 35 6.427 15.871 9.844 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.011 17.629 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.817 16.616 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.207 16.052 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.557 17.795 7.508 1.00 0.00 H new ATOM 590 N ALA A 36 3.920 18.216 7.573 1.00 0.00 N ATOM 591 CA ALA A 36 3.501 19.323 6.728 1.00 0.00 C ATOM 592 C ALA A 36 2.029 19.651 6.956 1.00 0.00 C ATOM 593 O ALA A 36 1.584 20.766 6.688 1.00 0.00 O ATOM 594 CB ALA A 36 3.752 18.995 5.264 1.00 0.00 C ATOM 0 H ALA A 36 3.804 17.296 7.149 1.00 0.00 H new ATOM 0 HA ALA A 36 4.090 20.200 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.433 19.833 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.815 18.813 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.187 18.104 4.989 1.00 0.00 H new ATOM 600 N GLU A 37 1.274 18.672 7.457 1.00 0.00 N ATOM 601 CA GLU A 37 -0.147 18.866 7.722 1.00 0.00 C ATOM 602 C GLU A 37 -0.365 19.487 9.100 1.00 0.00 C ATOM 603 O GLU A 37 -1.406 20.091 9.361 1.00 0.00 O ATOM 604 CB GLU A 37 -0.892 17.532 7.629 1.00 0.00 C ATOM 605 CG GLU A 37 -1.456 17.247 6.246 1.00 0.00 C ATOM 606 CD GLU A 37 -2.503 16.151 6.260 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.162 15.009 6.635 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.664 16.433 5.896 1.00 0.00 O ATOM 0 H GLU A 37 1.624 17.741 7.686 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.541 19.548 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.214 16.726 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.707 17.529 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.895 18.159 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.644 16.960 5.578 1.00 0.00 H new ATOM 615 N GLN A 38 0.622 19.332 9.979 1.00 0.00 N ATOM 616 CA GLN A 38 0.537 19.875 11.329 1.00 0.00 C ATOM 617 C GLN A 38 0.286 21.380 11.306 1.00 0.00 C ATOM 618 O GLN A 38 -0.513 21.896 12.086 1.00 0.00 O ATOM 619 CB GLN A 38 1.824 19.576 12.101 1.00 0.00 C ATOM 620 CG GLN A 38 1.796 18.245 12.835 1.00 0.00 C ATOM 621 CD GLN A 38 3.099 17.949 13.551 1.00 0.00 C ATOM 622 OE1 GLN A 38 3.874 17.016 13.009 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 3.408 18.552 14.579 1.00 0.00 N flip ATOM 0 H GLN A 38 1.490 18.834 9.779 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.305 19.396 11.829 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.664 19.581 11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.000 20.375 12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.981 18.250 13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.586 17.446 12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.783 19.262 14.961 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.289 18.342 15.048 1.00 0.00 H new ATOM 632 N GLN A 39 0.976 22.081 10.411 1.00 0.00 N ATOM 633 CA GLN A 39 0.825 23.527 10.297 1.00 0.00 C ATOM 634 C GLN A 39 0.312 23.924 8.915 1.00 0.00 C ATOM 635 O GLN A 39 -0.291 24.984 8.751 1.00 0.00 O ATOM 636 CB GLN A 39 2.161 24.222 10.575 1.00 0.00 C ATOM 637 CG GLN A 39 3.170 24.086 9.443 1.00 0.00 C ATOM 638 CD GLN A 39 4.050 22.859 9.589 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.606 22.604 10.658 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.180 22.093 8.512 1.00 0.00 N ATOM 0 H GLN A 39 1.643 21.672 9.756 1.00 0.00 H new ATOM 0 HA GLN A 39 0.091 23.845 11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.978 25.280 10.761 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.593 23.808 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.639 24.037 8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.797 24.977 9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.700 22.343 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.759 21.254 8.550 1.00 0.00 H new ATOM 649 N ASN A 40 0.571 23.076 7.922 1.00 0.00 N ATOM 650 CA ASN A 40 0.148 23.350 6.554 1.00 0.00 C ATOM 651 C ASN A 40 0.884 24.566 6.008 1.00 0.00 C ATOM 652 O ASN A 40 0.270 25.501 5.494 1.00 0.00 O ATOM 653 CB ASN A 40 -1.363 23.580 6.499 1.00 0.00 C ATOM 654 CG ASN A 40 -2.138 22.289 6.323 1.00 0.00 C ATOM 655 OD1 ASN A 40 -2.574 21.957 5.221 1.00 0.00 O ATOM 656 ND2 ASN A 40 -2.315 21.552 7.414 1.00 0.00 N ATOM 0 H ASN A 40 1.071 22.195 8.041 1.00 0.00 H new ATOM 0 HA ASN A 40 0.392 22.486 5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.686 24.073 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.595 24.255 5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.830 20.673 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.936 21.865 8.308 1.00 0.00 H new ATOM 663 N ALA A 41 2.209 24.543 6.129 1.00 0.00 N ATOM 664 CA ALA A 41 3.049 25.640 5.653 1.00 0.00 C ATOM 665 C ALA A 41 2.609 26.124 4.274 1.00 0.00 C ATOM 666 O ALA A 41 2.769 27.297 3.937 1.00 0.00 O ATOM 667 CB ALA A 41 4.507 25.207 5.621 1.00 0.00 C ATOM 0 H ALA A 41 2.726 23.774 6.554 1.00 0.00 H new ATOM 0 HA ALA A 41 2.938 26.473 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.124 26.032 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.824 24.923 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.619 24.355 4.951 1.00 0.00 H new ATOM 673 N SER A 42 2.054 25.214 3.480 1.00 0.00 N ATOM 674 CA SER A 42 1.589 25.554 2.140 1.00 0.00 C ATOM 675 C SER A 42 0.734 24.432 1.557 1.00 0.00 C ATOM 676 O SER A 42 1.166 23.281 1.487 1.00 0.00 O ATOM 677 CB SER A 42 2.781 25.837 1.221 1.00 0.00 C ATOM 678 OG SER A 42 2.693 27.135 0.657 1.00 0.00 O ATOM 0 H SER A 42 1.915 24.238 3.740 1.00 0.00 H new ATOM 0 HA SER A 42 0.974 26.451 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.709 25.744 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.816 25.093 0.425 1.00 0.00 H new ATOM 0 HG SER A 42 3.466 27.292 0.076 1.00 0.00 H new ATOM 684 N ASP A 43 -0.479 24.778 1.135 1.00 0.00 N ATOM 685 CA ASP A 43 -1.396 23.804 0.550 1.00 0.00 C ATOM 686 C ASP A 43 -0.709 23.029 -0.564 1.00 0.00 C ATOM 687 O ASP A 43 -0.770 21.800 -0.612 1.00 0.00 O ATOM 688 CB ASP A 43 -2.645 24.506 0.011 1.00 0.00 C ATOM 689 CG ASP A 43 -3.827 24.387 0.953 1.00 0.00 C ATOM 690 OD1 ASP A 43 -4.320 23.256 1.148 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.260 25.426 1.497 1.00 0.00 O ATOM 0 H ASP A 43 -0.850 25.727 1.187 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.696 23.103 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.422 25.560 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.910 24.078 -0.956 1.00 0.00 H new ATOM 696 N ALA A 44 -0.039 23.758 -1.446 1.00 0.00 N ATOM 697 CA ALA A 44 0.682 23.142 -2.550 1.00 0.00 C ATOM 698 C ALA A 44 1.779 22.230 -2.017 1.00 0.00 C ATOM 699 O ALA A 44 2.152 21.246 -2.655 1.00 0.00 O ATOM 700 CB ALA A 44 1.270 24.209 -3.461 1.00 0.00 C ATOM 0 H ALA A 44 0.020 24.776 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.017 22.541 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.806 23.732 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.467 24.827 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.959 24.834 -2.892 1.00 0.00 H new ATOM 706 N GLU A 45 2.286 22.563 -0.833 1.00 0.00 N ATOM 707 CA GLU A 45 3.333 21.776 -0.196 1.00 0.00 C ATOM 708 C GLU A 45 2.743 20.534 0.453 1.00 0.00 C ATOM 709 O GLU A 45 3.306 19.443 0.357 1.00 0.00 O ATOM 710 CB GLU A 45 4.064 22.614 0.855 1.00 0.00 C ATOM 711 CG GLU A 45 5.465 22.112 1.166 1.00 0.00 C ATOM 712 CD GLU A 45 6.426 22.317 0.012 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.309 21.589 -0.995 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.297 23.207 0.116 1.00 0.00 O ATOM 0 H GLU A 45 1.986 23.376 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 45 4.045 21.469 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.125 23.645 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.477 22.622 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.845 22.629 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.421 21.051 1.413 1.00 0.00 H new ATOM 721 N VAL A 46 1.603 20.706 1.109 1.00 0.00 N ATOM 722 CA VAL A 46 0.933 19.593 1.770 1.00 0.00 C ATOM 723 C VAL A 46 0.215 18.711 0.755 1.00 0.00 C ATOM 724 O VAL A 46 0.003 17.521 0.992 1.00 0.00 O ATOM 725 CB VAL A 46 -0.081 20.081 2.821 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.521 18.928 3.710 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.507 21.214 3.652 1.00 0.00 C ATOM 0 H VAL A 46 1.124 21.602 1.198 1.00 0.00 H new ATOM 0 HA VAL A 46 1.706 19.014 2.274 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.958 20.466 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.238 19.290 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.988 18.155 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.347 18.511 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.226 21.544 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.403 20.863 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.766 22.048 2.999 1.00 0.00 H new ATOM 737 N SER A 47 -0.153 19.300 -0.379 1.00 0.00 N ATOM 738 CA SER A 47 -0.842 18.563 -1.431 1.00 0.00 C ATOM 739 C SER A 47 0.149 17.825 -2.323 1.00 0.00 C ATOM 740 O SER A 47 -0.218 16.888 -3.033 1.00 0.00 O ATOM 741 CB SER A 47 -1.700 19.509 -2.272 1.00 0.00 C ATOM 742 OG SER A 47 -2.790 18.822 -2.862 1.00 0.00 O ATOM 0 H SER A 47 0.014 20.283 -0.592 1.00 0.00 H new ATOM 0 HA SER A 47 -1.489 17.826 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.073 20.320 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.088 19.964 -3.051 1.00 0.00 H new ATOM 0 HG SER A 47 -3.323 19.450 -3.393 1.00 0.00 H new ATOM 748 N HIS A 48 1.405 18.248 -2.280 1.00 0.00 N ATOM 749 CA HIS A 48 2.445 17.625 -3.080 1.00 0.00 C ATOM 750 C HIS A 48 3.001 16.392 -2.378 1.00 0.00 C ATOM 751 O HIS A 48 3.410 15.428 -3.025 1.00 0.00 O ATOM 752 CB HIS A 48 3.560 18.628 -3.342 1.00 0.00 C ATOM 753 CG HIS A 48 4.567 18.161 -4.348 1.00 0.00 C ATOM 754 ND1 HIS A 48 5.926 18.335 -4.191 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.407 17.520 -5.530 1.00 0.00 C ATOM 756 CE1 HIS A 48 6.557 17.824 -5.233 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.658 17.322 -6.058 1.00 0.00 N ATOM 0 H HIS A 48 1.727 19.021 -1.698 1.00 0.00 H new ATOM 0 HA HIS A 48 2.014 17.310 -4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.121 19.564 -3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.070 18.844 -2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.469 17.220 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.626 17.818 -5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.860 16.861 -6.945 1.00 0.00 H new ATOM 766 N MET A 49 3.006 16.427 -1.049 1.00 0.00 N ATOM 767 CA MET A 49 3.504 15.307 -0.262 1.00 0.00 C ATOM 768 C MET A 49 2.497 14.168 -0.255 1.00 0.00 C ATOM 769 O MET A 49 2.870 12.996 -0.312 1.00 0.00 O ATOM 770 CB MET A 49 3.808 15.750 1.170 1.00 0.00 C ATOM 771 CG MET A 49 4.886 16.818 1.263 1.00 0.00 C ATOM 772 SD MET A 49 6.538 16.166 0.950 1.00 0.00 S ATOM 773 CE MET A 49 7.327 17.590 0.201 1.00 0.00 C ATOM 0 H MET A 49 2.672 17.217 -0.497 1.00 0.00 H new ATOM 0 HA MET A 49 4.427 14.953 -0.721 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.893 16.129 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.118 14.882 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.670 17.610 0.546 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.860 17.270 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.359 17.344 -0.050 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.789 17.869 -0.705 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.313 18.424 0.902 1.00 0.00 H new ATOM 783 N LYS A 50 1.217 14.517 -0.200 1.00 0.00 N ATOM 784 CA LYS A 50 0.166 13.511 -0.205 1.00 0.00 C ATOM 785 C LYS A 50 0.131 12.800 -1.546 1.00 0.00 C ATOM 786 O LYS A 50 -0.173 11.610 -1.619 1.00 0.00 O ATOM 787 CB LYS A 50 -1.193 14.136 0.080 1.00 0.00 C ATOM 788 CG LYS A 50 -1.354 14.628 1.509 1.00 0.00 C ATOM 789 CD LYS A 50 -2.804 14.959 1.824 1.00 0.00 C ATOM 790 CE LYS A 50 -3.229 16.270 1.180 1.00 0.00 C ATOM 791 NZ LYS A 50 -3.840 16.060 -0.161 1.00 0.00 N ATOM 0 H LYS A 50 0.885 15.480 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 50 0.386 12.790 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.348 14.972 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.971 13.403 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.995 13.865 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.736 15.513 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.447 14.153 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.937 15.023 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.943 16.778 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.363 16.925 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.427 16.731 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.654 15.087 -0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.867 16.215 -0.103 1.00 0.00 H new ATOM 805 N LYS A 51 0.463 13.529 -2.608 1.00 0.00 N ATOM 806 CA LYS A 51 0.487 12.948 -3.943 1.00 0.00 C ATOM 807 C LYS A 51 1.369 11.709 -3.940 1.00 0.00 C ATOM 808 O LYS A 51 1.095 10.732 -4.636 1.00 0.00 O ATOM 809 CB LYS A 51 1.004 13.964 -4.965 1.00 0.00 C ATOM 810 CG LYS A 51 0.819 13.520 -6.408 1.00 0.00 C ATOM 811 CD LYS A 51 2.131 13.557 -7.177 1.00 0.00 C ATOM 812 CE LYS A 51 2.761 12.176 -7.272 1.00 0.00 C ATOM 813 NZ LYS A 51 3.325 11.915 -8.626 1.00 0.00 N ATOM 0 H LYS A 51 0.717 14.516 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.528 12.669 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.488 14.912 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.063 14.145 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.412 12.509 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.091 14.167 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.955 13.948 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.823 14.241 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.551 12.085 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.013 11.419 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.745 10.964 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.567 11.977 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.057 12.622 -8.839 1.00 0.00 H new ATOM 827 N GLN A 52 2.418 11.755 -3.123 1.00 0.00 N ATOM 828 CA GLN A 52 3.333 10.631 -2.996 1.00 0.00 C ATOM 829 C GLN A 52 2.752 9.583 -2.048 1.00 0.00 C ATOM 830 O GLN A 52 3.142 8.417 -2.084 1.00 0.00 O ATOM 831 CB GLN A 52 4.693 11.106 -2.485 1.00 0.00 C ATOM 832 CG GLN A 52 5.196 12.364 -3.174 1.00 0.00 C ATOM 833 CD GLN A 52 6.710 12.442 -3.215 1.00 0.00 C ATOM 834 OE1 GLN A 52 7.400 11.442 -3.017 1.00 0.00 O ATOM 835 NE2 GLN A 52 7.235 13.634 -3.472 1.00 0.00 N ATOM 0 H GLN A 52 2.653 12.559 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 52 3.468 10.181 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.625 11.291 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.423 10.309 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.807 12.397 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.805 13.239 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.625 14.436 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.248 13.747 -3.511 1.00 0.00 H new ATOM 844 N LYS A 53 1.808 10.007 -1.205 1.00 0.00 N ATOM 845 CA LYS A 53 1.166 9.106 -0.255 1.00 0.00 C ATOM 846 C LYS A 53 0.369 8.038 -0.985 1.00 0.00 C ATOM 847 O LYS A 53 0.645 6.846 -0.865 1.00 0.00 O ATOM 848 CB LYS A 53 0.237 9.892 0.660 1.00 0.00 C ATOM 849 CG LYS A 53 -0.035 9.210 1.991 1.00 0.00 C ATOM 850 CD LYS A 53 -1.383 9.618 2.561 1.00 0.00 C ATOM 851 CE LYS A 53 -1.908 8.584 3.545 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.634 7.482 2.857 1.00 0.00 N ATOM 0 H LYS A 53 1.473 10.970 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 53 1.943 8.624 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.672 10.874 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.710 10.056 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.007 8.128 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.753 9.465 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.291 10.583 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.099 9.746 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.076 8.170 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.575 9.068 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.976 6.798 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.443 7.873 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.991 7.003 2.194 1.00 0.00 H new ATOM 866 N LEU A 54 -0.620 8.484 -1.746 1.00 0.00 N ATOM 867 CA LEU A 54 -1.467 7.583 -2.514 1.00 0.00 C ATOM 868 C LEU A 54 -0.625 6.762 -3.479 1.00 0.00 C ATOM 869 O LEU A 54 -1.026 5.682 -3.910 1.00 0.00 O ATOM 870 CB LEU A 54 -2.527 8.375 -3.282 1.00 0.00 C ATOM 871 CG LEU A 54 -3.496 7.526 -4.111 1.00 0.00 C ATOM 872 CD1 LEU A 54 -4.938 7.855 -3.753 1.00 0.00 C ATOM 873 CD2 LEU A 54 -3.253 7.736 -5.599 1.00 0.00 C ATOM 0 H LEU A 54 -0.857 9.471 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.969 6.906 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.103 8.966 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.024 9.077 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.316 6.476 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.611 7.242 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.106 7.651 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.132 8.909 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.951 7.125 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.403 8.787 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.231 7.447 -5.845 1.00 0.00 H new ATOM 885 N LYS A 55 0.558 7.279 -3.803 1.00 0.00 N ATOM 886 CA LYS A 55 1.466 6.584 -4.703 1.00 0.00 C ATOM 887 C LYS A 55 2.217 5.513 -3.941 1.00 0.00 C ATOM 888 O LYS A 55 2.178 4.336 -4.300 1.00 0.00 O ATOM 889 CB LYS A 55 2.443 7.563 -5.357 1.00 0.00 C ATOM 890 CG LYS A 55 2.825 7.187 -6.779 1.00 0.00 C ATOM 891 CD LYS A 55 4.265 7.562 -7.087 1.00 0.00 C ATOM 892 CE LYS A 55 4.555 7.486 -8.577 1.00 0.00 C ATOM 893 NZ LYS A 55 4.491 6.087 -9.086 1.00 0.00 N ATOM 0 H LYS A 55 0.906 8.173 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 55 0.883 6.116 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.998 8.558 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.347 7.620 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.689 6.115 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.159 7.689 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.464 8.572 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.939 6.894 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.837 8.102 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.544 7.900 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.695 6.079 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.194 5.504 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.540 5.700 -8.920 1.00 0.00 H new ATOM 907 N LEU A 56 2.863 5.918 -2.858 1.00 0.00 N ATOM 908 CA LEU A 56 3.575 4.975 -2.021 1.00 0.00 C ATOM 909 C LEU A 56 2.567 4.105 -1.278 1.00 0.00 C ATOM 910 O LEU A 56 2.934 3.125 -0.629 1.00 0.00 O ATOM 911 CB LEU A 56 4.484 5.711 -1.031 1.00 0.00 C ATOM 912 CG LEU A 56 5.980 5.433 -1.196 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.310 4.014 -0.756 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.415 5.666 -2.637 1.00 0.00 C ATOM 0 H LEU A 56 2.907 6.887 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 56 4.205 4.343 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.316 6.783 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.189 5.438 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 56 6.531 6.126 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.378 3.834 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.040 3.886 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.749 3.305 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.482 5.463 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.858 5.001 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.217 6.701 -2.914 1.00 0.00 H new ATOM 926 N LYS A 57 1.282 4.461 -1.396 1.00 0.00 N ATOM 927 CA LYS A 57 0.224 3.696 -0.755 1.00 0.00 C ATOM 928 C LYS A 57 -0.238 2.582 -1.680 1.00 0.00 C ATOM 929 O LYS A 57 -0.702 1.540 -1.227 1.00 0.00 O ATOM 930 CB LYS A 57 -0.958 4.597 -0.392 1.00 0.00 C ATOM 931 CG LYS A 57 -2.152 3.836 0.169 1.00 0.00 C ATOM 932 CD LYS A 57 -3.442 4.625 0.004 1.00 0.00 C ATOM 933 CE LYS A 57 -4.594 3.729 -0.421 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.702 4.506 -1.042 1.00 0.00 N ATOM 0 H LYS A 57 0.959 5.269 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 57 0.619 3.264 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.631 5.335 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.272 5.146 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.244 2.876 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.986 3.624 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.691 5.118 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.297 5.410 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.232 2.984 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.972 3.188 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.468 3.859 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.065 5.200 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.348 5.003 -1.885 1.00 0.00 H new ATOM 948 N ASP A 58 -0.101 2.808 -2.981 1.00 0.00 N ATOM 949 CA ASP A 58 -0.500 1.815 -3.964 1.00 0.00 C ATOM 950 C ASP A 58 0.353 0.566 -3.821 1.00 0.00 C ATOM 951 O ASP A 58 -0.132 -0.550 -3.991 1.00 0.00 O ATOM 952 CB ASP A 58 -0.377 2.381 -5.380 1.00 0.00 C ATOM 953 CG ASP A 58 -1.689 2.935 -5.899 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.511 3.385 -5.073 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.895 2.920 -7.131 1.00 0.00 O ATOM 0 H ASP A 58 0.282 3.667 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.543 1.552 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.376 3.169 -5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.026 1.598 -6.052 1.00 0.00 H new ATOM 960 N GLU A 59 1.628 0.761 -3.498 1.00 0.00 N ATOM 961 CA GLU A 59 2.546 -0.360 -3.322 1.00 0.00 C ATOM 962 C GLU A 59 2.295 -1.060 -1.990 1.00 0.00 C ATOM 963 O GLU A 59 2.337 -2.288 -1.904 1.00 0.00 O ATOM 964 CB GLU A 59 3.995 0.120 -3.399 1.00 0.00 C ATOM 965 CG GLU A 59 4.345 1.188 -2.378 1.00 0.00 C ATOM 966 CD GLU A 59 5.685 1.838 -2.660 1.00 0.00 C ATOM 967 OE1 GLU A 59 5.738 2.736 -3.527 1.00 0.00 O ATOM 968 OE2 GLU A 59 6.681 1.451 -2.015 1.00 0.00 O ATOM 0 H GLU A 59 2.048 1.679 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 59 2.369 -1.074 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.658 -0.734 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.185 0.511 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.567 1.952 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.362 0.744 -1.383 1.00 0.00 H new ATOM 975 N ILE A 60 2.015 -0.272 -0.958 1.00 0.00 N ATOM 976 CA ILE A 60 1.736 -0.811 0.366 1.00 0.00 C ATOM 977 C ILE A 60 0.338 -1.412 0.392 1.00 0.00 C ATOM 978 O ILE A 60 0.101 -2.435 1.034 1.00 0.00 O ATOM 979 CB ILE A 60 1.853 0.279 1.458 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.325 0.596 1.738 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.145 -0.145 2.742 1.00 0.00 C ATOM 982 CD1 ILE A 60 4.069 -0.518 2.447 1.00 0.00 C ATOM 0 H ILE A 60 1.975 0.746 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 60 2.476 -1.583 0.578 1.00 0.00 H new ATOM 0 HB ILE A 60 1.363 1.180 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.826 0.811 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.383 1.501 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.245 0.642 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.089 -0.317 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.595 -1.063 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.104 -0.218 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.594 -0.719 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.044 -1.419 1.835 1.00 0.00 H new ATOM 994 N HIS A 61 -0.578 -0.772 -0.328 1.00 0.00 N ATOM 995 CA HIS A 61 -1.955 -1.238 -0.412 1.00 0.00 C ATOM 996 C HIS A 61 -2.031 -2.443 -1.330 1.00 0.00 C ATOM 997 O HIS A 61 -2.764 -3.398 -1.068 1.00 0.00 O ATOM 998 CB HIS A 61 -2.867 -0.124 -0.930 1.00 0.00 C ATOM 999 CG HIS A 61 -4.324 -0.466 -0.869 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.059 -0.431 0.297 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.184 -0.851 -1.842 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.306 -0.781 0.040 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.408 -1.040 -1.251 1.00 0.00 N ATOM 0 H HIS A 61 -0.389 0.075 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.292 -1.523 0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.690 0.780 -0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.599 0.104 -1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.950 -0.984 -2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.106 -0.845 0.762 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.259 -1.333 -1.731 1.00 0.00 H new ATOM 1012 N SER A 62 -1.252 -2.397 -2.402 1.00 0.00 N ATOM 1013 CA SER A 62 -1.211 -3.492 -3.359 1.00 0.00 C ATOM 1014 C SER A 62 -0.615 -4.734 -2.711 1.00 0.00 C ATOM 1015 O SER A 62 -0.980 -5.859 -3.050 1.00 0.00 O ATOM 1016 CB SER A 62 -0.392 -3.106 -4.592 1.00 0.00 C ATOM 1017 OG SER A 62 -0.164 -4.228 -5.427 1.00 0.00 O ATOM 0 H SER A 62 -0.640 -1.613 -2.630 1.00 0.00 H new ATOM 0 HA SER A 62 -2.232 -3.707 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.917 -2.333 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.562 -2.682 -4.280 1.00 0.00 H new ATOM 0 HG SER A 62 0.360 -3.953 -6.208 1.00 0.00 H new ATOM 1023 N MET A 63 0.306 -4.525 -1.770 1.00 0.00 N ATOM 1024 CA MET A 63 0.942 -5.639 -1.078 1.00 0.00 C ATOM 1025 C MET A 63 -0.092 -6.468 -0.326 1.00 0.00 C ATOM 1026 O MET A 63 -0.006 -7.695 -0.286 1.00 0.00 O ATOM 1027 CB MET A 63 2.012 -5.129 -0.112 1.00 0.00 C ATOM 1028 CG MET A 63 3.261 -5.994 -0.075 1.00 0.00 C ATOM 1029 SD MET A 63 4.490 -5.492 -1.295 1.00 0.00 S ATOM 1030 CE MET A 63 5.761 -6.723 -1.022 1.00 0.00 C ATOM 0 H MET A 63 0.624 -3.602 -1.474 1.00 0.00 H new ATOM 0 HA MET A 63 1.418 -6.275 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.291 -4.114 -0.395 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.588 -5.075 0.891 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.702 -5.946 0.921 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.984 -7.033 -0.251 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.506 -6.658 -1.815 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.239 -6.545 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.312 -7.716 -1.026 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.075 -5.793 0.261 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.128 -6.479 1.000 1.00 0.00 C ATOM 1042 C ILE A 64 -2.918 -7.388 0.079 1.00 0.00 C ATOM 1043 O ILE A 64 -3.183 -8.539 0.411 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.089 -5.482 1.669 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.341 -4.651 2.705 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.266 -6.208 2.311 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.423 -3.168 2.444 1.00 0.00 C ATOM 0 H ILE A 64 -1.164 -4.777 0.240 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.644 -7.072 1.776 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.485 -4.815 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.747 -4.863 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.294 -4.954 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.931 -5.481 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.812 -6.762 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.897 -6.900 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.871 -2.632 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.991 -2.946 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.466 -2.853 2.459 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.284 -6.870 -1.086 1.00 0.00 N ATOM 1060 CA ILE A 65 -4.034 -7.651 -2.058 1.00 0.00 C ATOM 1061 C ILE A 65 -3.327 -8.971 -2.326 1.00 0.00 C ATOM 1062 O ILE A 65 -3.944 -10.036 -2.305 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.198 -6.890 -3.383 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.788 -5.499 -3.134 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -5.071 -7.678 -4.348 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -6.080 -5.522 -2.343 1.00 0.00 C ATOM 0 H ILE A 65 -3.074 -5.916 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.023 -7.837 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.213 -6.769 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.056 -4.893 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.967 -5.012 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.175 -7.123 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.609 -8.644 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.055 -7.832 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.440 -4.503 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.828 -6.101 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.903 -5.979 -1.370 1.00 0.00 H new ATOM 1078 N GLU A 66 -2.019 -8.893 -2.556 1.00 0.00 N ATOM 1079 CA GLU A 66 -1.226 -10.085 -2.799 1.00 0.00 C ATOM 1080 C GLU A 66 -1.153 -10.925 -1.531 1.00 0.00 C ATOM 1081 O GLU A 66 -0.928 -12.134 -1.585 1.00 0.00 O ATOM 1082 CB GLU A 66 0.182 -9.708 -3.268 1.00 0.00 C ATOM 1083 CG GLU A 66 0.227 -9.171 -4.688 1.00 0.00 C ATOM 1084 CD GLU A 66 0.030 -10.256 -5.729 1.00 0.00 C ATOM 1085 OE1 GLU A 66 0.659 -11.327 -5.596 1.00 0.00 O ATOM 1086 OE2 GLU A 66 -0.755 -10.036 -6.675 1.00 0.00 O ATOM 0 H GLU A 66 -1.492 -8.020 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.704 -10.669 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.592 -8.958 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.826 -10.585 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.545 -8.411 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.186 -8.681 -4.857 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.362 -10.275 -0.387 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.337 -10.967 0.896 1.00 0.00 C ATOM 1095 C TYR A 67 -2.712 -11.545 1.213 1.00 0.00 C ATOM 1096 O TYR A 67 -2.832 -12.557 1.903 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.905 -10.013 2.008 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.355 -10.720 3.227 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -1.191 -11.443 4.068 1.00 0.00 C ATOM 1100 CD2 TYR A 67 0.998 -10.665 3.534 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.693 -12.094 5.181 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.503 -11.313 4.646 1.00 0.00 C ATOM 1103 CZ TYR A 67 0.654 -12.025 5.465 1.00 0.00 C ATOM 1104 OH TYR A 67 1.153 -12.671 6.573 1.00 0.00 O ATOM 0 H TYR A 67 -1.550 -9.274 -0.325 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.617 -11.783 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.147 -9.333 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.758 -9.403 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.247 -11.497 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.666 -10.107 2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.356 -12.654 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.558 -11.261 4.872 1.00 0.00 H new ATOM 0 HH TYR A 67 2.120 -12.524 6.629 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.745 -10.889 0.697 1.00 0.00 N ATOM 1115 CA ARG A 68 -5.118 -11.319 0.908 1.00 0.00 C ATOM 1116 C ARG A 68 -5.433 -12.531 0.039 1.00 0.00 C ATOM 1117 O ARG A 68 -6.175 -13.426 0.446 1.00 0.00 O ATOM 1118 CB ARG A 68 -6.077 -10.167 0.588 1.00 0.00 C ATOM 1119 CG ARG A 68 -7.187 -9.986 1.610 1.00 0.00 C ATOM 1120 CD ARG A 68 -8.119 -11.188 1.653 1.00 0.00 C ATOM 1121 NE ARG A 68 -9.455 -10.864 1.157 1.00 0.00 N ATOM 1122 CZ ARG A 68 -9.822 -10.967 -0.119 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.955 -11.374 -1.040 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -11.060 -10.658 -0.478 1.00 0.00 N ATOM 0 H ARG A 68 -3.653 -10.050 0.125 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.244 -11.604 1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.506 -9.241 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.523 -10.340 -0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.750 -9.829 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.760 -9.091 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.697 -11.996 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.192 -11.554 2.677 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.149 -10.539 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.000 -11.610 -0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.245 -11.450 -2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.730 -10.342 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.342 -10.736 -1.455 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.852 -12.560 -1.157 1.00 0.00 N ATOM 1139 CA GLU A 69 -5.062 -13.669 -2.079 1.00 0.00 C ATOM 1140 C GLU A 69 -4.258 -14.895 -1.647 1.00 0.00 C ATOM 1141 O GLU A 69 -4.519 -16.007 -2.098 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.675 -13.260 -3.503 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.787 -13.469 -4.517 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.850 -12.361 -5.550 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.879 -12.211 -6.320 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -6.870 -11.642 -5.587 1.00 0.00 O ATOM 0 H GLU A 69 -4.233 -11.829 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.121 -13.928 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.385 -12.209 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.800 -13.832 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.638 -14.423 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.742 -13.529 -3.996 1.00 0.00 H new ATOM 1153 N LYS A 70 -3.294 -14.683 -0.758 1.00 0.00 N ATOM 1154 CA LYS A 70 -2.468 -15.758 -0.243 1.00 0.00 C ATOM 1155 C LYS A 70 -3.113 -16.321 1.010 1.00 0.00 C ATOM 1156 O LYS A 70 -3.239 -17.531 1.168 1.00 0.00 O ATOM 1157 CB LYS A 70 -1.058 -15.246 0.066 1.00 0.00 C ATOM 1158 CG LYS A 70 -0.183 -16.256 0.793 1.00 0.00 C ATOM 1159 CD LYS A 70 1.193 -15.682 1.102 1.00 0.00 C ATOM 1160 CE LYS A 70 2.301 -16.498 0.453 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.049 -17.312 1.451 1.00 0.00 N ATOM 0 H LYS A 70 -3.067 -13.764 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.385 -16.544 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.572 -14.964 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.134 -14.343 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.669 -16.559 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.076 -17.152 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.245 -14.652 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.343 -15.658 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.872 -17.155 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.991 -15.829 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.795 -17.853 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.480 -16.683 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.395 -17.969 1.923 1.00 0.00 H new ATOM 1175 N GLN A 71 -3.536 -15.423 1.892 1.00 0.00 N ATOM 1176 CA GLN A 71 -4.187 -15.818 3.130 1.00 0.00 C ATOM 1177 C GLN A 71 -5.598 -16.314 2.852 1.00 0.00 C ATOM 1178 O GLN A 71 -6.118 -17.157 3.574 1.00 0.00 O ATOM 1179 CB GLN A 71 -4.222 -14.647 4.113 1.00 0.00 C ATOM 1180 CG GLN A 71 -4.523 -15.063 5.544 1.00 0.00 C ATOM 1181 CD GLN A 71 -5.410 -14.068 6.265 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -6.364 -14.447 6.945 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -5.098 -12.784 6.121 1.00 0.00 N ATOM 0 H GLN A 71 -3.438 -14.415 1.770 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.613 -16.630 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.261 -14.133 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.976 -13.931 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.007 -16.040 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.587 -15.173 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.298 -12.515 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.658 -12.068 6.584 1.00 0.00 H new ATOM 1192 N LYS A 72 -6.215 -15.800 1.796 1.00 0.00 N ATOM 1193 CA LYS A 72 -7.560 -16.226 1.445 1.00 0.00 C ATOM 1194 C LYS A 72 -7.507 -17.480 0.587 1.00 0.00 C ATOM 1195 O LYS A 72 -8.436 -18.286 0.584 1.00 0.00 O ATOM 1196 CB LYS A 72 -8.317 -15.109 0.724 1.00 0.00 C ATOM 1197 CG LYS A 72 -9.815 -15.351 0.630 1.00 0.00 C ATOM 1198 CD LYS A 72 -10.225 -15.780 -0.771 1.00 0.00 C ATOM 1199 CE LYS A 72 -10.651 -14.589 -1.615 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.818 -14.956 -3.048 1.00 0.00 N ATOM 0 H LYS A 72 -5.811 -15.097 1.176 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.099 -16.456 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.142 -14.168 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.912 -14.997 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.106 -16.119 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.349 -14.441 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.393 -16.291 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.045 -16.495 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.589 -14.189 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.907 -13.797 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.109 -14.117 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.916 -15.314 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.546 -15.694 -3.135 1.00 0.00 H new ATOM 1214 N SER A 73 -6.403 -17.658 -0.119 1.00 0.00 N ATOM 1215 CA SER A 73 -6.220 -18.837 -0.943 1.00 0.00 C ATOM 1216 C SER A 73 -5.621 -19.939 -0.090 1.00 0.00 C ATOM 1217 O SER A 73 -5.958 -21.113 -0.236 1.00 0.00 O ATOM 1218 CB SER A 73 -5.306 -18.533 -2.120 1.00 0.00 C ATOM 1219 OG SER A 73 -5.099 -19.685 -2.921 1.00 0.00 O ATOM 0 H SER A 73 -5.622 -17.002 -0.137 1.00 0.00 H new ATOM 0 HA SER A 73 -7.185 -19.155 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.742 -17.739 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.348 -18.165 -1.754 1.00 0.00 H new ATOM 0 HG SER A 73 -4.509 -19.460 -3.671 1.00 0.00 H new ATOM 1225 N GLU A 74 -4.730 -19.540 0.815 1.00 0.00 N ATOM 1226 CA GLU A 74 -4.086 -20.490 1.710 1.00 0.00 C ATOM 1227 C GLU A 74 -4.945 -20.749 2.946 1.00 0.00 C ATOM 1228 O GLU A 74 -5.102 -21.894 3.366 1.00 0.00 O ATOM 1229 CB GLU A 74 -2.703 -19.991 2.133 1.00 0.00 C ATOM 1230 CG GLU A 74 -1.749 -19.780 0.968 1.00 0.00 C ATOM 1231 CD GLU A 74 -1.055 -21.060 0.544 1.00 0.00 C ATOM 1232 OE1 GLU A 74 -0.821 -21.924 1.414 1.00 0.00 O ATOM 1233 OE2 GLU A 74 -0.746 -21.197 -0.657 1.00 0.00 O ATOM 0 H GLU A 74 -4.441 -18.571 0.945 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.969 -21.427 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.815 -19.052 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.264 -20.708 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.300 -19.372 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.999 -19.040 1.247 1.00 0.00 H new ATOM 1240 N ARG A 75 -5.510 -19.687 3.527 1.00 0.00 N ATOM 1241 CA ARG A 75 -6.351 -19.842 4.708 1.00 0.00 C ATOM 1242 C ARG A 75 -7.809 -20.018 4.312 1.00 0.00 C ATOM 1243 O ARG A 75 -8.548 -20.766 4.952 1.00 0.00 O ATOM 1244 CB ARG A 75 -6.200 -18.646 5.652 1.00 0.00 C ATOM 1245 CG ARG A 75 -6.226 -19.027 7.124 1.00 0.00 C ATOM 1246 CD ARG A 75 -7.026 -18.029 7.949 1.00 0.00 C ATOM 1247 NE ARG A 75 -6.177 -17.285 8.878 1.00 0.00 N ATOM 1248 CZ ARG A 75 -6.578 -16.203 9.542 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -7.810 -15.735 9.383 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -5.744 -15.586 10.368 1.00 0.00 N ATOM 0 H ARG A 75 -5.401 -18.726 3.202 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.022 -20.738 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.261 -18.137 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.002 -17.934 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.659 -20.021 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.206 -19.079 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.533 -17.331 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.799 -18.557 8.507 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.223 -17.614 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.456 -16.205 8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.110 -14.906 9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.796 -15.940 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.051 -14.757 10.877 1.00 0.00 H new ATOM 1264 N ALA A 76 -8.221 -19.322 3.253 1.00 0.00 N ATOM 1265 CA ALA A 76 -9.600 -19.400 2.773 1.00 0.00 C ATOM 1266 C ALA A 76 -10.600 -19.343 3.926 1.00 0.00 C ATOM 1267 O ALA A 76 -11.759 -19.761 3.724 1.00 0.00 O ATOM 1268 CB ALA A 76 -9.803 -20.671 1.960 1.00 0.00 C ATOM 1269 OXT ALA A 76 -10.214 -18.882 5.021 1.00 0.00 O ATOM 0 H ALA A 76 -7.621 -18.699 2.712 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.780 -18.535 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.834 -20.717 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.128 -20.667 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.593 -21.540 2.584 1.00 0.00 H new