USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 909 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 26 TYR OH : rot 95:sc= -0.663! USER MOD Set 1.2: A 87 LYS NZ :NH3+ -146:sc= -1.9 (180deg=-2.88!) USER MOD Set 1.3: A 88 TYR OH : rot 180:sc= -3.3! USER MOD Set 2.1: A 59 THR OG1 : rot -174:sc= 1.1 USER MOD Set 2.2: A 61 ASN :FLIP amide:sc= -8.18! C(o=-8.6!,f=-7.1!) USER MOD Set 3.1: A 37 SER OG : rot -99:sc= -2.18 USER MOD Set 3.2: A 44 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0674) USER MOD Set 4.1: A 10 ASN : amide:sc= -3.7! C(o=-7.8!,f=-9.1!) USER MOD Set 4.2: A 46 HIS : no HD1:sc= -0.29 K(o=-7.8,f=-9.1) USER MOD Set 4.3: A 62 GLN : amide:sc= -3.78! C(o=-7.8!,f=-9.6!) USER MOD Single : A 1 GLU N :NH3+ 164:sc= -0.0779 (180deg=-0.39) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 45:sc= 0.081 USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -0.147 (180deg=-1.12) USER MOD Single : A 8 TYR OH : rot -94:sc= -3.17 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 19 ASN : amide:sc= -8.77! C(o=-8.8!,f=-9.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.272 K(o=-0.27,f=-3!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00484) USER MOD Single : A 48 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.34! C(o=-5!,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.893 (180deg=-1.98!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 123:sc= -1.37 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -7.73! C(o=-8.5!,f=-7.7!) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.275) USER MOD Single : A 76 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.113 USER MOD Single : A 93 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -28.603 9.768 1.113 1.00 0.00 N ATOM 2 CA GLU A 1 -27.606 8.709 1.379 1.00 0.00 C ATOM 3 C GLU A 1 -28.270 7.454 1.956 1.00 0.00 C ATOM 4 O GLU A 1 -29.325 7.541 2.598 1.00 0.00 O ATOM 5 CB GLU A 1 -26.568 9.242 2.366 1.00 0.00 C ATOM 6 CG GLU A 1 -27.174 9.938 3.577 1.00 0.00 C ATOM 7 CD GLU A 1 -27.243 11.443 3.401 1.00 0.00 C ATOM 8 OE1 GLU A 1 -26.189 12.095 3.491 1.00 0.00 O ATOM 9 OE2 GLU A 1 -28.358 11.969 3.195 1.00 0.00 O ATOM 0 H1 GLU A 1 -28.117 10.679 0.986 1.00 0.00 H new ATOM 0 H2 GLU A 1 -29.134 9.536 0.250 1.00 0.00 H new ATOM 0 H3 GLU A 1 -29.260 9.836 1.916 1.00 0.00 H new ATOM 0 HA GLU A 1 -27.128 8.434 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -25.946 8.414 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -25.912 9.941 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -28.177 9.549 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -26.582 9.705 4.462 1.00 0.00 H new ATOM 18 N ASP A 2 -27.658 6.301 1.727 1.00 0.00 N ATOM 19 CA ASP A 2 -28.198 5.043 2.221 1.00 0.00 C ATOM 20 C ASP A 2 -27.089 4.178 2.825 1.00 0.00 C ATOM 21 O ASP A 2 -25.938 4.609 2.922 1.00 0.00 O ATOM 22 CB ASP A 2 -28.890 4.278 1.090 1.00 0.00 C ATOM 23 CG ASP A 2 -27.939 3.932 0.000 1.00 0.00 C ATOM 24 OD1 ASP A 2 -27.007 4.728 -0.218 1.00 0.00 O ATOM 25 OD2 ASP A 2 -28.128 2.865 -0.579 1.00 0.00 O ATOM 0 H ASP A 2 -26.788 6.211 1.203 1.00 0.00 H new ATOM 0 HA ASP A 2 -28.929 5.271 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -29.336 3.366 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -29.703 4.881 0.686 1.00 0.00 H new ATOM 30 N LYS A 3 -27.442 2.967 3.226 1.00 0.00 N ATOM 31 CA LYS A 3 -26.482 2.042 3.819 1.00 0.00 C ATOM 32 C LYS A 3 -25.636 1.368 2.741 1.00 0.00 C ATOM 33 O LYS A 3 -26.074 1.215 1.603 1.00 0.00 O ATOM 34 CB LYS A 3 -27.201 0.992 4.656 1.00 0.00 C ATOM 35 CG LYS A 3 -27.533 1.448 6.067 1.00 0.00 C ATOM 36 CD LYS A 3 -27.430 0.330 7.063 1.00 0.00 C ATOM 37 CE LYS A 3 -26.103 0.360 7.813 1.00 0.00 C ATOM 38 NZ LYS A 3 -24.987 -0.091 6.970 1.00 0.00 N ATOM 0 H LYS A 3 -28.390 2.598 3.152 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.818 2.614 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.124 0.708 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.580 0.098 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.857 2.253 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.543 1.858 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -28.252 0.401 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.535 -0.625 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.907 1.373 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.171 -0.275 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -24.103 -0.056 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.161 -1.067 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.906 0.530 6.140 1.00 0.00 H new ATOM 52 N TYR A 4 -24.429 0.966 3.113 1.00 0.00 N ATOM 53 CA TYR A 4 -23.517 0.322 2.189 1.00 0.00 C ATOM 54 C TYR A 4 -22.226 -0.006 2.893 1.00 0.00 C ATOM 55 O TYR A 4 -21.920 0.434 3.975 1.00 0.00 O ATOM 56 CB TYR A 4 -23.211 1.219 0.995 1.00 0.00 C ATOM 57 CG TYR A 4 -22.445 0.530 -0.035 1.00 0.00 C ATOM 58 CD1 TYR A 4 -22.993 -0.453 -0.733 1.00 0.00 C ATOM 59 CD2 TYR A 4 -21.159 0.940 -0.362 1.00 0.00 C ATOM 60 CE1 TYR A 4 -22.294 -1.090 -1.737 1.00 0.00 C ATOM 61 CE2 TYR A 4 -20.451 0.315 -1.371 1.00 0.00 C ATOM 62 CZ TYR A 4 -21.026 -0.656 -2.057 1.00 0.00 C ATOM 63 OH TYR A 4 -20.326 -1.286 -3.067 1.00 0.00 O ATOM 0 H TYR A 4 -24.060 1.078 4.057 1.00 0.00 H new ATOM 0 HA TYR A 4 -23.996 -0.589 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -24.146 1.582 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -22.655 2.093 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -24.004 -0.761 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -20.706 1.758 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -22.736 -1.921 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -19.439 0.617 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 4 -19.449 -0.862 -3.171 1.00 0.00 H new ATOM 73 N THR A 5 -21.479 -0.887 2.268 1.00 0.00 N ATOM 74 CA THR A 5 -20.210 -1.353 2.819 1.00 0.00 C ATOM 75 C THR A 5 -19.169 -0.230 2.811 1.00 0.00 C ATOM 76 O THR A 5 -19.473 0.833 2.469 1.00 0.00 O ATOM 77 CB THR A 5 -19.688 -2.550 2.026 1.00 0.00 C ATOM 78 OG1 THR A 5 -18.528 -3.088 2.629 1.00 0.00 O ATOM 79 CG2 THR A 5 -19.348 -2.216 0.592 1.00 0.00 C ATOM 0 H THR A 5 -21.724 -1.303 1.370 1.00 0.00 H new ATOM 0 HA THR A 5 -20.384 -1.661 3.850 1.00 0.00 H new ATOM 0 HB THR A 5 -20.504 -3.273 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.665 -3.158 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 5 -18.984 -3.110 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.239 -1.849 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.576 -1.447 0.571 1.00 0.00 H new ATOM 87 N ASP A 6 -17.942 -0.571 3.190 1.00 0.00 N ATOM 88 CA ASP A 6 -16.858 0.335 3.229 1.00 0.00 C ATOM 89 C ASP A 6 -16.093 0.349 1.912 1.00 0.00 C ATOM 90 O ASP A 6 -14.946 -0.045 1.846 1.00 0.00 O ATOM 91 CB ASP A 6 -15.903 0.050 4.383 1.00 0.00 C ATOM 92 CG ASP A 6 -16.322 0.695 5.676 1.00 0.00 C ATOM 93 OD1 ASP A 6 -16.487 1.933 5.664 1.00 0.00 O ATOM 94 OD2 ASP A 6 -16.476 0.034 6.692 1.00 0.00 O ATOM 0 H ASP A 6 -17.693 -1.516 3.482 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.293 1.321 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.832 -1.028 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.906 0.402 4.116 1.00 0.00 H new ATOM 99 N LYS A 7 -16.732 0.863 0.864 1.00 0.00 N ATOM 100 CA LYS A 7 -16.129 0.948 -0.371 1.00 0.00 C ATOM 101 C LYS A 7 -15.294 -0.217 -0.706 1.00 0.00 C ATOM 102 O LYS A 7 -15.854 -1.277 -0.999 1.00 0.00 O ATOM 103 CB LYS A 7 -15.284 2.222 -0.457 1.00 0.00 C ATOM 104 CG LYS A 7 -16.091 3.496 -0.358 1.00 0.00 C ATOM 105 CD LYS A 7 -15.380 4.662 -1.009 1.00 0.00 C ATOM 106 CE LYS A 7 -15.568 4.654 -2.522 1.00 0.00 C ATOM 107 NZ LYS A 7 -14.401 4.044 -3.222 1.00 0.00 N ATOM 0 H LYS A 7 -17.686 1.221 0.895 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.939 0.973 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.542 2.210 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.737 2.221 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.061 3.350 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.281 3.725 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.761 5.597 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.317 4.620 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.473 4.100 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.711 5.675 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.958 4.753 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.707 3.716 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.722 3.237 -3.794 1.00 0.00 H new ATOM 121 N TYR A 8 -13.978 -0.087 -0.666 1.00 0.00 N ATOM 122 CA TYR A 8 -13.086 -1.198 -0.967 1.00 0.00 C ATOM 123 C TYR A 8 -13.485 -2.453 -0.209 1.00 0.00 C ATOM 124 O TYR A 8 -13.112 -2.647 0.865 1.00 0.00 O ATOM 125 CB TYR A 8 -11.630 -0.817 -0.618 1.00 0.00 C ATOM 126 CG TYR A 8 -11.501 0.016 0.519 1.00 0.00 C ATOM 127 CD1 TYR A 8 -11.453 -0.475 1.793 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.413 1.365 0.392 1.00 0.00 C ATOM 129 CE1 TYR A 8 -11.329 0.272 2.907 1.00 0.00 C ATOM 130 CE2 TYR A 8 -11.287 2.179 1.489 1.00 0.00 C ATOM 131 CZ TYR A 8 -11.244 1.619 2.749 1.00 0.00 C ATOM 132 OH TYR A 8 -11.124 2.430 3.860 1.00 0.00 O ATOM 0 H TYR A 8 -13.500 0.782 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.163 -1.408 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.058 -1.730 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.184 -0.313 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -11.520 -1.546 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.443 1.806 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.298 -0.182 3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.222 3.250 1.367 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.011 2.742 4.134 1.00 0.00 H new ATOM 142 N ASP A 9 -14.261 -3.311 -0.867 1.00 0.00 N ATOM 143 CA ASP A 9 -14.725 -4.554 -0.258 1.00 0.00 C ATOM 144 C ASP A 9 -13.625 -5.610 -0.283 1.00 0.00 C ATOM 145 O ASP A 9 -13.617 -6.483 -1.146 1.00 0.00 O ATOM 146 CB ASP A 9 -15.967 -5.070 -0.985 1.00 0.00 C ATOM 147 CG ASP A 9 -16.974 -5.698 -0.035 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.533 -6.296 0.891 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.183 -5.595 -0.303 1.00 0.00 O ATOM 0 H ASP A 9 -14.582 -3.167 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.984 -4.350 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.440 -4.247 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.668 -5.805 -1.732 1.00 0.00 H new ATOM 154 N ASN A 10 -12.701 -5.523 0.596 1.00 0.00 N ATOM 155 CA ASN A 10 -11.601 -6.478 0.673 1.00 0.00 C ATOM 156 C ASN A 10 -11.002 -6.497 2.070 1.00 0.00 C ATOM 157 O ASN A 10 -11.123 -7.492 2.788 1.00 0.00 O ATOM 158 CB ASN A 10 -10.515 -6.121 -0.275 1.00 0.00 C ATOM 159 CG ASN A 10 -9.648 -7.312 -0.623 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.581 -7.520 -0.041 1.00 0.00 O ATOM 161 ND2 ASN A 10 -10.098 -8.120 -1.584 1.00 0.00 N ATOM 0 H ASN A 10 -12.663 -4.788 1.302 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.012 -7.455 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.950 -5.711 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.896 -5.338 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.555 -8.939 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.985 -7.919 -2.045 1.00 0.00 H new ATOM 168 N ILE A 11 -10.372 -5.399 2.450 1.00 0.00 N ATOM 169 CA ILE A 11 -9.761 -5.284 3.768 1.00 0.00 C ATOM 170 C ILE A 11 -10.052 -3.918 4.374 1.00 0.00 C ATOM 171 O ILE A 11 -10.444 -2.992 3.664 1.00 0.00 O ATOM 172 CB ILE A 11 -8.237 -5.504 3.696 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.628 -5.560 5.101 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.570 -4.402 2.880 1.00 0.00 C ATOM 175 CD1 ILE A 11 -6.314 -6.315 5.165 1.00 0.00 C ATOM 0 H ILE A 11 -10.269 -4.570 1.864 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.194 -6.058 4.402 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.060 -6.459 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.471 -4.543 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.341 -6.031 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.495 -4.577 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.974 -4.404 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.764 -3.436 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.943 -6.313 6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.469 -7.343 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.585 -5.832 4.514 1.00 0.00 H new ATOM 187 N ASN A 12 -9.879 -3.800 5.683 1.00 0.00 N ATOM 188 CA ASN A 12 -10.138 -2.540 6.378 1.00 0.00 C ATOM 189 C ASN A 12 -9.097 -1.487 5.994 1.00 0.00 C ATOM 190 O ASN A 12 -8.282 -1.081 6.814 1.00 0.00 O ATOM 191 CB ASN A 12 -10.128 -2.761 7.890 1.00 0.00 C ATOM 192 CG ASN A 12 -11.358 -3.493 8.378 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.586 -4.652 8.011 1.00 0.00 O ATOM 194 ND2 ASN A 12 -12.164 -2.837 9.198 1.00 0.00 N ATOM 0 H ASN A 12 -9.561 -4.558 6.287 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.122 -2.178 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.239 -3.329 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.059 -1.797 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.009 -3.287 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.940 -1.882 9.477 1.00 0.00 H new ATOM 201 N LEU A 13 -9.134 -1.048 4.741 1.00 0.00 N ATOM 202 CA LEU A 13 -8.202 -0.044 4.242 1.00 0.00 C ATOM 203 C LEU A 13 -8.660 1.283 4.611 1.00 0.00 C ATOM 204 O LEU A 13 -8.612 2.197 3.797 1.00 0.00 O ATOM 205 CB LEU A 13 -8.056 -0.179 2.726 1.00 0.00 C ATOM 206 CG LEU A 13 -6.628 -0.401 2.243 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.447 -1.824 1.717 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.268 0.526 1.159 1.00 0.00 C ATOM 0 H LEU A 13 -9.806 -1.375 4.047 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.222 -0.201 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.673 -1.011 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.449 0.722 2.255 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.982 -0.226 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.420 -1.959 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.663 -2.536 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.129 -1.994 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.242 0.335 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.942 0.378 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.353 1.553 1.515 1.00 0.00 H new ATOM 220 N ASP A 14 -9.056 1.439 5.858 1.00 0.00 N ATOM 221 CA ASP A 14 -9.489 2.724 6.381 1.00 0.00 C ATOM 222 C ASP A 14 -8.772 2.974 7.692 1.00 0.00 C ATOM 223 O ASP A 14 -8.104 3.994 7.872 1.00 0.00 O ATOM 224 CB ASP A 14 -11.004 2.747 6.582 1.00 0.00 C ATOM 225 CG ASP A 14 -11.633 4.050 6.131 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.067 5.121 6.444 1.00 0.00 O ATOM 227 OD2 ASP A 14 -12.680 3.999 5.458 1.00 0.00 O ATOM 0 H ASP A 14 -9.088 0.680 6.539 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.243 3.511 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.452 1.921 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.229 2.585 7.636 1.00 0.00 H new ATOM 232 N GLU A 15 -8.890 2.011 8.588 1.00 0.00 N ATOM 233 CA GLU A 15 -8.234 2.085 9.880 1.00 0.00 C ATOM 234 C GLU A 15 -6.718 2.122 9.707 1.00 0.00 C ATOM 235 O GLU A 15 -6.003 2.619 10.573 1.00 0.00 O ATOM 236 CB GLU A 15 -8.632 0.894 10.758 1.00 0.00 C ATOM 237 CG GLU A 15 -8.218 -0.370 10.176 1.00 0.00 C ATOM 238 CD GLU A 15 -8.821 -1.539 10.931 1.00 0.00 C ATOM 239 OE1 GLU A 15 -10.062 -1.617 11.012 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.045 -2.376 11.453 1.00 0.00 O ATOM 0 H GLU A 15 -9.438 1.163 8.443 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.555 3.003 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.182 1.004 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.713 0.892 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.524 -0.411 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.131 -0.443 10.193 1.00 0.00 H new ATOM 247 N ILE A 16 -6.233 1.594 8.579 1.00 0.00 N ATOM 248 CA ILE A 16 -4.803 1.587 8.324 1.00 0.00 C ATOM 249 C ILE A 16 -4.306 2.980 7.963 1.00 0.00 C ATOM 250 O ILE A 16 -3.122 3.276 8.099 1.00 0.00 O ATOM 251 CB ILE A 16 -4.418 0.617 7.191 1.00 0.00 C ATOM 252 CG1 ILE A 16 -5.043 -0.677 7.440 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.903 0.502 7.084 1.00 0.00 C ATOM 254 CD1 ILE A 16 -5.017 -1.588 6.233 1.00 0.00 C ATOM 0 H ILE A 16 -6.803 1.175 7.845 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.330 1.251 9.247 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.779 0.998 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.533 -1.167 8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.077 -0.522 7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.646 -0.187 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.478 1.483 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.499 0.127 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.497 -2.535 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.552 -1.116 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.984 -1.771 5.938 1.00 0.00 H new ATOM 266 N LEU A 17 -5.217 3.841 7.513 1.00 0.00 N ATOM 267 CA LEU A 17 -4.865 5.204 7.141 1.00 0.00 C ATOM 268 C LEU A 17 -5.405 6.202 8.172 1.00 0.00 C ATOM 269 O LEU A 17 -5.348 7.413 7.970 1.00 0.00 O ATOM 270 CB LEU A 17 -5.407 5.515 5.734 1.00 0.00 C ATOM 271 CG LEU A 17 -5.419 6.991 5.340 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.060 7.629 5.573 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.844 7.144 3.884 1.00 0.00 C ATOM 0 H LEU A 17 -6.205 3.615 7.398 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.779 5.299 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.809 4.968 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.425 5.131 5.664 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.142 7.508 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.097 8.679 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.798 7.552 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.309 7.114 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.849 8.200 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.143 6.609 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.844 6.732 3.752 1.00 0.00 H new ATOM 285 N ALA A 18 -5.926 5.675 9.277 1.00 0.00 N ATOM 286 CA ALA A 18 -6.474 6.517 10.335 1.00 0.00 C ATOM 287 C ALA A 18 -5.411 7.421 10.945 1.00 0.00 C ATOM 288 O ALA A 18 -5.699 8.558 11.321 1.00 0.00 O ATOM 289 CB ALA A 18 -7.115 5.647 11.414 1.00 0.00 C ATOM 0 H ALA A 18 -5.980 4.673 9.462 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.234 7.160 9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.522 6.283 12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.918 5.055 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.364 4.981 11.838 1.00 0.00 H new ATOM 295 N ASN A 19 -4.183 6.916 11.057 1.00 0.00 N ATOM 296 CA ASN A 19 -3.095 7.692 11.640 1.00 0.00 C ATOM 297 C ASN A 19 -1.729 7.090 11.333 1.00 0.00 C ATOM 298 O ASN A 19 -1.604 5.891 11.083 1.00 0.00 O ATOM 299 CB ASN A 19 -3.285 7.822 13.157 1.00 0.00 C ATOM 300 CG ASN A 19 -4.073 6.658 13.750 1.00 0.00 C ATOM 301 OD1 ASN A 19 -4.919 6.855 14.622 1.00 0.00 O ATOM 302 ND2 ASN A 19 -3.793 5.453 13.276 1.00 0.00 N ATOM 0 H ASN A 19 -3.920 5.979 10.753 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.126 8.682 11.185 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.309 7.878 13.638 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.803 8.756 13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.288 4.636 13.634 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.083 5.342 12.553 1.00 0.00 H new ATOM 309 N LYS A 20 -0.708 7.945 11.366 1.00 0.00 N ATOM 310 CA LYS A 20 0.581 7.519 11.101 1.00 0.00 C ATOM 311 C LYS A 20 1.000 6.398 12.038 1.00 0.00 C ATOM 312 O LYS A 20 1.902 5.638 11.727 1.00 0.00 O ATOM 313 CB LYS A 20 1.539 8.703 11.210 1.00 0.00 C ATOM 314 CG LYS A 20 1.888 9.109 12.634 1.00 0.00 C ATOM 315 CD LYS A 20 0.675 9.636 13.379 1.00 0.00 C ATOM 316 CE LYS A 20 0.142 10.909 12.733 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.973 11.435 13.451 1.00 0.00 N ATOM 0 H LYS A 20 -0.795 8.938 11.580 1.00 0.00 H new ATOM 0 HA LYS A 20 0.614 7.120 10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.460 8.458 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.097 9.559 10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.299 8.251 13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.664 9.874 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.106 8.876 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.941 9.836 14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.934 11.656 12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.153 10.700 11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.310 12.301 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.738 10.731 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.685 11.657 14.425 1.00 0.00 H new ATOM 331 N ARG A 21 0.339 6.288 13.184 1.00 0.00 N ATOM 332 CA ARG A 21 0.677 5.237 14.137 1.00 0.00 C ATOM 333 C ARG A 21 0.512 3.869 13.479 1.00 0.00 C ATOM 334 O ARG A 21 1.295 2.947 13.732 1.00 0.00 O ATOM 335 CB ARG A 21 -0.123 5.333 15.387 1.00 0.00 C ATOM 336 CG ARG A 21 -1.607 5.346 15.090 1.00 0.00 C ATOM 337 CD ARG A 21 -2.420 4.839 16.276 1.00 0.00 C ATOM 338 NE ARG A 21 -3.624 5.632 16.499 1.00 0.00 N ATOM 339 CZ ARG A 21 -3.626 6.820 17.086 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.494 7.364 17.514 1.00 0.00 N ATOM 341 NH2 ARG A 21 -4.770 7.471 17.253 1.00 0.00 N ATOM 0 H ARG A 21 -0.422 6.902 13.473 1.00 0.00 H new ATOM 0 HA ARG A 21 1.720 5.369 14.427 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.113 4.491 16.038 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.150 6.239 15.927 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.920 6.360 14.840 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.810 4.725 14.217 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.699 3.799 16.105 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.802 4.860 17.174 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.516 5.250 16.185 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.612 6.867 17.392 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.506 8.279 17.965 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.644 7.057 16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.775 8.386 17.704 1.00 0.00 H new ATOM 355 N LEU A 22 -0.421 3.745 12.621 1.00 0.00 N ATOM 356 CA LEU A 22 -0.671 2.496 11.921 1.00 0.00 C ATOM 357 C LEU A 22 -0.001 2.490 10.574 1.00 0.00 C ATOM 358 O LEU A 22 0.607 1.512 10.214 1.00 0.00 O ATOM 359 CB LEU A 22 -2.167 2.277 11.738 1.00 0.00 C ATOM 360 CG LEU A 22 -2.852 1.504 12.867 1.00 0.00 C ATOM 361 CD1 LEU A 22 -2.579 2.166 14.212 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.344 1.407 12.620 1.00 0.00 C ATOM 0 H LEU A 22 -1.055 4.501 12.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.257 1.689 12.526 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.651 3.248 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.329 1.742 10.802 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.440 0.495 12.888 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.074 1.602 15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.505 2.184 14.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.962 3.186 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.812 0.854 13.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.770 2.409 12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.524 0.888 11.678 1.00 0.00 H new ATOM 374 N LEU A 23 -0.100 3.590 9.837 1.00 0.00 N ATOM 375 CA LEU A 23 0.465 3.695 8.537 1.00 0.00 C ATOM 376 C LEU A 23 1.967 3.470 8.672 1.00 0.00 C ATOM 377 O LEU A 23 2.593 2.804 7.857 1.00 0.00 O ATOM 378 CB LEU A 23 0.214 5.071 7.927 1.00 0.00 C ATOM 379 CG LEU A 23 -1.165 5.370 7.581 1.00 0.00 C ATOM 380 CD1 LEU A 23 -1.404 6.869 7.553 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.523 4.743 6.238 1.00 0.00 C ATOM 0 H LEU A 23 -0.584 4.432 10.147 1.00 0.00 H new ATOM 0 HA LEU A 23 0.005 2.956 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.564 5.828 8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.822 5.165 7.028 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.811 4.941 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.444 7.067 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.190 7.290 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.750 7.328 6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.559 4.976 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.868 5.143 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.398 3.662 6.296 1.00 0.00 H new ATOM 393 N VAL A 24 2.531 4.045 9.730 1.00 0.00 N ATOM 394 CA VAL A 24 3.947 3.925 9.999 1.00 0.00 C ATOM 395 C VAL A 24 4.285 2.526 10.497 1.00 0.00 C ATOM 396 O VAL A 24 5.309 1.956 10.113 1.00 0.00 O ATOM 397 CB VAL A 24 4.422 4.980 11.030 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.805 4.649 11.557 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.399 6.370 10.413 1.00 0.00 C ATOM 0 H VAL A 24 2.019 4.601 10.415 1.00 0.00 H new ATOM 0 HA VAL A 24 4.471 4.105 9.061 1.00 0.00 H new ATOM 0 HB VAL A 24 3.733 4.963 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.111 5.407 12.278 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.785 3.673 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.514 4.628 10.730 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.735 7.100 11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.062 6.395 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.384 6.612 10.099 1.00 0.00 H new ATOM 409 N ALA A 25 3.424 1.969 11.339 1.00 0.00 N ATOM 410 CA ALA A 25 3.641 0.636 11.857 1.00 0.00 C ATOM 411 C ALA A 25 3.832 -0.277 10.724 1.00 0.00 C ATOM 412 O ALA A 25 4.841 -0.986 10.660 1.00 0.00 O ATOM 413 CB ALA A 25 2.488 0.239 12.761 1.00 0.00 C ATOM 0 H ALA A 25 2.574 2.422 11.673 1.00 0.00 H new ATOM 0 HA ALA A 25 4.539 0.592 12.473 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.658 -0.766 13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.419 0.941 13.592 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.558 0.257 12.193 1.00 0.00 H new ATOM 419 N TYR A 26 2.875 -0.302 9.806 1.00 0.00 N ATOM 420 CA TYR A 26 2.963 -1.188 8.656 1.00 0.00 C ATOM 421 C TYR A 26 4.149 -0.790 7.792 1.00 0.00 C ATOM 422 O TYR A 26 4.911 -1.638 7.336 1.00 0.00 O ATOM 423 CB TYR A 26 1.669 -1.149 7.827 1.00 0.00 C ATOM 424 CG TYR A 26 1.418 -2.410 7.022 1.00 0.00 C ATOM 425 CD1 TYR A 26 2.411 -3.376 6.861 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.191 -2.623 6.405 1.00 0.00 C ATOM 427 CE1 TYR A 26 2.176 -4.518 6.111 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.005 -3.761 5.666 1.00 0.00 C ATOM 429 CZ TYR A 26 0.945 -4.701 5.523 1.00 0.00 C ATOM 430 OH TYR A 26 0.708 -5.840 4.778 1.00 0.00 O ATOM 0 H TYR A 26 2.036 0.277 9.835 1.00 0.00 H new ATOM 0 HA TYR A 26 3.102 -2.207 9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.825 -0.983 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.710 -0.298 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.375 -3.233 7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.602 -1.897 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.953 -5.258 5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.959 -3.908 5.181 1.00 0.00 H new ATOM 0 HH TYR A 26 0.287 -6.520 5.345 1.00 0.00 H new ATOM 440 N VAL A 27 4.318 0.444 7.602 1.00 0.00 N ATOM 441 CA VAL A 27 5.431 0.947 6.818 1.00 0.00 C ATOM 442 C VAL A 27 6.749 0.504 7.442 1.00 0.00 C ATOM 443 O VAL A 27 7.715 0.226 6.731 1.00 0.00 O ATOM 444 CB VAL A 27 5.397 2.491 6.705 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.733 3.041 6.234 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.276 2.917 5.770 1.00 0.00 C ATOM 0 H VAL A 27 3.703 1.168 7.974 1.00 0.00 H new ATOM 0 HA VAL A 27 5.344 0.534 5.813 1.00 0.00 H new ATOM 0 HB VAL A 27 5.206 2.904 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.675 4.127 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.512 2.763 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.972 2.628 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.258 4.004 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.443 2.488 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.322 2.564 6.162 1.00 0.00 H new ATOM 456 N ASN A 28 6.791 0.439 8.772 1.00 0.00 N ATOM 457 CA ASN A 28 7.981 0.037 9.460 1.00 0.00 C ATOM 458 C ASN A 28 8.103 -1.437 9.353 1.00 0.00 C ATOM 459 O ASN A 28 9.204 -1.990 9.355 1.00 0.00 O ATOM 460 CB ASN A 28 7.948 0.432 10.939 1.00 0.00 C ATOM 461 CG ASN A 28 8.562 1.779 11.160 1.00 0.00 C ATOM 462 OD1 ASN A 28 9.197 2.341 10.273 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.371 2.320 12.356 1.00 0.00 N ATOM 0 H ASN A 28 6.004 0.663 9.381 1.00 0.00 H new ATOM 0 HA ASN A 28 8.833 0.541 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.917 0.438 11.292 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.482 -0.314 11.528 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.759 3.239 12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.836 1.817 13.064 1.00 0.00 H new ATOM 470 N CYS A 29 6.956 -2.098 9.235 1.00 0.00 N ATOM 471 CA CYS A 29 6.916 -3.534 9.089 1.00 0.00 C ATOM 472 C CYS A 29 7.400 -3.937 7.703 1.00 0.00 C ATOM 473 O CYS A 29 7.923 -5.036 7.512 1.00 0.00 O ATOM 474 CB CYS A 29 5.481 -4.015 9.303 1.00 0.00 C ATOM 475 SG CYS A 29 4.927 -4.010 11.045 1.00 0.00 S ATOM 0 H CYS A 29 6.039 -1.650 9.239 1.00 0.00 H new ATOM 0 HA CYS A 29 7.572 -3.993 9.829 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.810 -3.384 8.720 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.389 -5.027 8.909 1.00 0.00 H new ATOM 480 N VAL A 30 7.232 -3.032 6.744 1.00 0.00 N ATOM 481 CA VAL A 30 7.660 -3.283 5.371 1.00 0.00 C ATOM 482 C VAL A 30 9.159 -3.536 5.317 1.00 0.00 C ATOM 483 O VAL A 30 9.623 -4.416 4.589 1.00 0.00 O ATOM 484 CB VAL A 30 7.287 -2.079 4.463 1.00 0.00 C ATOM 485 CG1 VAL A 30 8.419 -1.067 4.384 1.00 0.00 C ATOM 486 CG2 VAL A 30 6.866 -2.549 3.082 1.00 0.00 C ATOM 0 H VAL A 30 6.803 -2.119 6.892 1.00 0.00 H new ATOM 0 HA VAL A 30 7.145 -4.172 5.006 1.00 0.00 H new ATOM 0 HB VAL A 30 6.435 -1.574 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.122 -0.239 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.640 -0.690 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.307 -1.546 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.610 -1.687 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.687 -3.096 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.998 -3.203 3.169 1.00 0.00 H new ATOM 496 N MET A 31 9.906 -2.766 6.097 1.00 0.00 N ATOM 497 CA MET A 31 11.356 -2.898 6.146 1.00 0.00 C ATOM 498 C MET A 31 11.758 -4.273 6.672 1.00 0.00 C ATOM 499 O MET A 31 12.887 -4.732 6.458 1.00 0.00 O ATOM 500 CB MET A 31 11.968 -1.791 7.003 1.00 0.00 C ATOM 501 CG MET A 31 11.966 -2.081 8.496 1.00 0.00 C ATOM 502 SD MET A 31 11.759 -0.603 9.502 1.00 0.00 S ATOM 503 CE MET A 31 13.382 -0.446 10.228 1.00 0.00 C ATOM 0 H MET A 31 9.530 -2.040 6.707 1.00 0.00 H new ATOM 0 HA MET A 31 11.742 -2.798 5.131 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.995 -1.623 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.421 -0.865 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.163 -2.783 8.723 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.902 -2.569 8.767 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.407 0.428 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.608 -1.339 10.811 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.124 -0.332 9.438 1.00 0.00 H new ATOM 513 N GLU A 32 10.832 -4.939 7.369 1.00 0.00 N ATOM 514 CA GLU A 32 11.094 -6.256 7.932 1.00 0.00 C ATOM 515 C GLU A 32 12.084 -6.178 9.090 1.00 0.00 C ATOM 516 O GLU A 32 13.217 -6.653 8.990 1.00 0.00 O ATOM 517 CB GLU A 32 11.630 -7.206 6.851 1.00 0.00 C ATOM 518 CG GLU A 32 11.109 -8.626 6.982 1.00 0.00 C ATOM 519 CD GLU A 32 10.810 -9.261 5.636 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.086 -8.631 4.828 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.297 -10.379 5.382 1.00 0.00 O ATOM 0 H GLU A 32 9.895 -4.582 7.554 1.00 0.00 H new ATOM 0 HA GLU A 32 10.150 -6.645 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.359 -6.817 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.719 -7.221 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.844 -9.232 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.203 -8.623 7.588 1.00 0.00 H new ATOM 528 N ARG A 33 11.637 -5.583 10.195 1.00 0.00 N ATOM 529 CA ARG A 33 12.472 -5.445 11.380 1.00 0.00 C ATOM 530 C ARG A 33 12.281 -6.621 12.327 1.00 0.00 C ATOM 531 O ARG A 33 13.135 -6.884 13.184 1.00 0.00 O ATOM 532 CB ARG A 33 12.144 -4.131 12.101 1.00 0.00 C ATOM 533 CG ARG A 33 10.717 -4.069 12.617 1.00 0.00 C ATOM 534 CD ARG A 33 10.641 -4.435 14.088 1.00 0.00 C ATOM 535 NE ARG A 33 11.570 -3.652 14.901 1.00 0.00 N ATOM 536 CZ ARG A 33 11.946 -3.990 16.136 1.00 0.00 C ATOM 537 NH1 ARG A 33 11.464 -5.095 16.700 1.00 0.00 N ATOM 538 NH2 ARG A 33 12.797 -3.226 16.803 1.00 0.00 N ATOM 0 H ARG A 33 10.701 -5.190 10.291 1.00 0.00 H new ATOM 0 HA ARG A 33 13.515 -5.432 11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.831 -4.002 12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.313 -3.298 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.319 -3.065 12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.090 -4.748 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.624 -4.277 14.448 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.861 -5.496 14.208 1.00 0.00 H new ATOM 0 HE ARG A 33 11.954 -2.796 14.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.807 -5.684 16.188 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.752 -5.353 17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.166 -2.378 16.373 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.084 -3.485 17.747 1.00 0.00 H new ATOM 552 N GLY A 34 11.169 -7.327 12.181 1.00 0.00 N ATOM 553 CA GLY A 34 10.892 -8.470 13.028 1.00 0.00 C ATOM 554 C GLY A 34 9.421 -8.589 13.376 1.00 0.00 C ATOM 555 O GLY A 34 8.766 -7.592 13.665 1.00 0.00 O ATOM 0 H GLY A 34 10.449 -7.127 11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.218 -9.380 12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.474 -8.388 13.946 1.00 0.00 H new ATOM 559 N LYS A 35 8.899 -9.822 13.326 1.00 0.00 N ATOM 560 CA LYS A 35 7.497 -10.085 13.618 1.00 0.00 C ATOM 561 C LYS A 35 6.580 -9.010 13.039 1.00 0.00 C ATOM 562 O LYS A 35 5.541 -8.682 13.615 1.00 0.00 O ATOM 563 CB LYS A 35 7.272 -10.209 15.136 1.00 0.00 C ATOM 564 CG LYS A 35 7.433 -8.894 15.890 1.00 0.00 C ATOM 565 CD LYS A 35 8.788 -8.800 16.570 1.00 0.00 C ATOM 566 CE LYS A 35 9.014 -9.959 17.541 1.00 0.00 C ATOM 567 NZ LYS A 35 9.163 -9.487 18.945 1.00 0.00 N ATOM 0 H LYS A 35 9.437 -10.654 13.083 1.00 0.00 H new ATOM 0 HA LYS A 35 7.243 -11.031 13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.270 -10.600 15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.975 -10.937 15.540 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.314 -8.060 15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.644 -8.803 16.636 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.575 -8.798 15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.861 -7.855 17.108 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.176 -10.653 17.479 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.907 -10.510 17.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.314 -10.303 19.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.978 -8.844 19.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.301 -8.983 19.235 1.00 0.00 H new ATOM 581 N CYS A 36 6.980 -8.465 11.900 1.00 0.00 N ATOM 582 CA CYS A 36 6.208 -7.427 11.230 1.00 0.00 C ATOM 583 C CYS A 36 5.709 -7.924 9.883 1.00 0.00 C ATOM 584 O CYS A 36 4.563 -7.667 9.500 1.00 0.00 O ATOM 585 CB CYS A 36 7.053 -6.166 11.052 1.00 0.00 C ATOM 586 SG CYS A 36 6.513 -4.760 12.063 1.00 0.00 S ATOM 0 H CYS A 36 7.840 -8.726 11.417 1.00 0.00 H new ATOM 0 HA CYS A 36 5.346 -7.182 11.850 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.089 -6.399 11.298 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.032 -5.873 10.002 1.00 0.00 H new ATOM 591 N SER A 37 6.566 -8.647 9.169 1.00 0.00 N ATOM 592 CA SER A 37 6.217 -9.189 7.867 1.00 0.00 C ATOM 593 C SER A 37 4.976 -10.078 7.965 1.00 0.00 C ATOM 594 O SER A 37 3.953 -9.801 7.349 1.00 0.00 O ATOM 595 CB SER A 37 7.378 -9.985 7.289 1.00 0.00 C ATOM 596 OG SER A 37 8.197 -9.173 6.458 1.00 0.00 O ATOM 0 H SER A 37 7.513 -8.870 9.476 1.00 0.00 H new ATOM 0 HA SER A 37 5.998 -8.353 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.977 -10.400 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.994 -10.827 6.713 1.00 0.00 H new ATOM 0 HG SER A 37 7.961 -9.323 5.519 1.00 0.00 H new ATOM 602 N PRO A 38 5.045 -11.159 8.775 1.00 0.00 N ATOM 603 CA PRO A 38 3.917 -12.074 8.955 1.00 0.00 C ATOM 604 C PRO A 38 2.675 -11.355 9.442 1.00 0.00 C ATOM 605 O PRO A 38 1.559 -11.699 9.067 1.00 0.00 O ATOM 606 CB PRO A 38 4.418 -13.069 10.015 1.00 0.00 C ATOM 607 CG PRO A 38 5.617 -12.430 10.627 1.00 0.00 C ATOM 608 CD PRO A 38 6.224 -11.570 9.555 1.00 0.00 C ATOM 0 HA PRO A 38 3.625 -12.551 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.651 -13.263 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.672 -14.028 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.340 -11.832 11.495 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.327 -13.182 10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.754 -10.714 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.941 -12.123 8.948 1.00 0.00 H new ATOM 616 N GLU A 39 2.872 -10.338 10.284 1.00 0.00 N ATOM 617 CA GLU A 39 1.761 -9.558 10.820 1.00 0.00 C ATOM 618 C GLU A 39 0.945 -8.937 9.684 1.00 0.00 C ATOM 619 O GLU A 39 -0.213 -8.996 9.680 1.00 0.00 O ATOM 620 CB GLU A 39 2.272 -8.469 11.748 1.00 0.00 C ATOM 621 CG GLU A 39 2.403 -8.912 13.197 1.00 0.00 C ATOM 622 CD GLU A 39 1.219 -8.475 14.045 1.00 0.00 C ATOM 623 OE1 GLU A 39 1.208 -7.306 14.479 1.00 0.00 O ATOM 624 OE2 GLU A 39 0.315 -9.305 14.279 1.00 0.00 O ATOM 0 H GLU A 39 3.791 -10.038 10.608 1.00 0.00 H new ATOM 0 HA GLU A 39 1.117 -10.229 11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.244 -8.128 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.597 -7.615 11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.493 -9.998 13.236 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.320 -8.501 13.619 1.00 0.00 H new ATOM 631 N GLY A 40 1.645 -8.351 8.722 1.00 0.00 N ATOM 632 CA GLY A 40 0.976 -7.735 7.586 1.00 0.00 C ATOM 633 C GLY A 40 0.912 -8.650 6.375 1.00 0.00 C ATOM 634 O GLY A 40 0.318 -8.297 5.356 1.00 0.00 O ATOM 0 H GLY A 40 2.663 -8.290 8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.036 -7.452 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.499 -6.818 7.316 1.00 0.00 H new ATOM 638 N LYS A 41 1.530 -9.826 6.486 1.00 0.00 N ATOM 639 CA LYS A 41 1.552 -10.792 5.403 1.00 0.00 C ATOM 640 C LYS A 41 0.168 -11.032 4.824 1.00 0.00 C ATOM 641 O LYS A 41 0.048 -11.425 3.659 1.00 0.00 O ATOM 642 CB LYS A 41 2.156 -12.116 5.882 1.00 0.00 C ATOM 643 CG LYS A 41 3.626 -12.286 5.524 1.00 0.00 C ATOM 644 CD LYS A 41 3.795 -12.588 4.038 1.00 0.00 C ATOM 645 CE LYS A 41 4.984 -13.520 3.811 1.00 0.00 C ATOM 646 NZ LYS A 41 4.670 -14.929 4.164 1.00 0.00 N ATOM 0 H LYS A 41 2.024 -10.128 7.325 1.00 0.00 H new ATOM 0 HA LYS A 41 2.174 -10.375 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.045 -12.185 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.589 -12.941 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.173 -11.379 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.057 -13.095 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.886 -13.047 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.944 -11.659 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.289 -13.469 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.830 -13.178 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.549 -15.430 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.025 -14.947 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.216 -15.397 3.354 1.00 0.00 H new ATOM 660 N GLU A 42 -0.785 -10.794 5.621 1.00 0.00 N ATOM 661 CA GLU A 42 -2.155 -10.987 5.159 1.00 0.00 C ATOM 662 C GLU A 42 -2.491 -9.963 4.082 1.00 0.00 C ATOM 663 O GLU A 42 -2.900 -10.318 2.976 1.00 0.00 O ATOM 664 CB GLU A 42 -3.169 -10.894 6.313 1.00 0.00 C ATOM 665 CG GLU A 42 -2.558 -10.510 7.651 1.00 0.00 C ATOM 666 CD GLU A 42 -3.595 -10.432 8.757 1.00 0.00 C ATOM 667 OE1 GLU A 42 -4.622 -11.136 8.675 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.388 -9.646 9.718 1.00 0.00 O ATOM 0 H GLU A 42 -0.684 -10.471 6.583 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.225 -11.991 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.933 -10.162 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.671 -11.856 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.795 -11.240 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.058 -9.546 7.556 1.00 0.00 H new ATOM 675 N LEU A 43 -2.306 -8.691 4.406 1.00 0.00 N ATOM 676 CA LEU A 43 -2.568 -7.622 3.461 1.00 0.00 C ATOM 677 C LEU A 43 -1.627 -7.729 2.265 1.00 0.00 C ATOM 678 O LEU A 43 -1.994 -7.397 1.138 1.00 0.00 O ATOM 679 CB LEU A 43 -2.421 -6.256 4.130 1.00 0.00 C ATOM 680 CG LEU A 43 -3.038 -6.151 5.527 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.971 -6.341 6.598 1.00 0.00 C ATOM 682 CD2 LEU A 43 -3.730 -4.804 5.702 1.00 0.00 C ATOM 0 H LEU A 43 -1.975 -8.377 5.318 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.595 -7.722 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.360 -6.014 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.879 -5.503 3.489 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.781 -6.941 5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.428 -6.263 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.514 -7.324 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.206 -5.572 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.164 -4.745 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.003 -4.002 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.519 -4.701 4.957 1.00 0.00 H new ATOM 694 N LYS A 44 -0.413 -8.208 2.522 1.00 0.00 N ATOM 695 CA LYS A 44 0.498 -8.364 1.471 1.00 0.00 C ATOM 696 C LYS A 44 0.172 -9.560 0.613 1.00 0.00 C ATOM 697 O LYS A 44 0.337 -9.520 -0.545 1.00 0.00 O ATOM 698 CB LYS A 44 1.890 -8.540 2.083 1.00 0.00 C ATOM 699 CG LYS A 44 2.584 -7.227 2.392 1.00 0.00 C ATOM 700 CD LYS A 44 3.405 -7.329 3.670 1.00 0.00 C ATOM 701 CE LYS A 44 4.630 -8.210 3.483 1.00 0.00 C ATOM 702 NZ LYS A 44 5.795 -7.721 4.268 1.00 0.00 N ATOM 0 H LYS A 44 -0.072 -8.481 3.444 1.00 0.00 H new ATOM 0 HA LYS A 44 0.451 -7.484 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.804 -9.122 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.510 -9.117 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.232 -6.950 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.842 -6.435 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.718 -6.333 3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.785 -7.733 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.392 -9.230 3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.894 -8.244 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.516 -7.343 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.485 -6.971 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.200 -8.507 4.815 1.00 0.00 H new ATOM 716 N GLU A 45 -0.266 -10.620 1.228 1.00 0.00 N ATOM 717 CA GLU A 45 -0.628 -11.828 0.520 1.00 0.00 C ATOM 718 C GLU A 45 -1.924 -11.596 -0.186 1.00 0.00 C ATOM 719 O GLU A 45 -2.140 -12.164 -1.252 1.00 0.00 O ATOM 720 CB GLU A 45 -0.790 -13.000 1.460 1.00 0.00 C ATOM 721 CG GLU A 45 0.453 -13.622 1.895 1.00 0.00 C ATOM 722 CD GLU A 45 0.304 -14.590 3.053 1.00 0.00 C ATOM 723 OE1 GLU A 45 0.092 -14.120 4.191 1.00 0.00 O ATOM 724 OE2 GLU A 45 0.395 -15.811 2.809 1.00 0.00 O ATOM 0 H GLU A 45 -0.385 -10.678 2.239 1.00 0.00 H new ATOM 0 HA GLU A 45 0.170 -12.065 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.338 -12.666 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.404 -13.756 0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.894 -14.152 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.155 -12.839 2.181 1.00 0.00 H new ATOM 731 N HIS A 46 -2.794 -10.759 0.328 1.00 0.00 N ATOM 732 CA HIS A 46 -4.071 -10.455 -0.244 1.00 0.00 C ATOM 733 C HIS A 46 -3.954 -9.274 -1.212 1.00 0.00 C ATOM 734 O HIS A 46 -4.802 -9.104 -2.094 1.00 0.00 O ATOM 735 CB HIS A 46 -5.123 -10.149 0.760 1.00 0.00 C ATOM 736 CG HIS A 46 -6.535 -10.366 0.310 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.611 -10.355 1.131 1.00 0.00 N ATOM 738 CD2 HIS A 46 -7.027 -10.594 -0.874 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.717 -10.579 0.471 1.00 0.00 C ATOM 740 NE2 HIS A 46 -8.388 -10.722 -0.744 1.00 0.00 N ATOM 0 H HIS A 46 -2.617 -10.252 1.195 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.379 -11.360 -0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.945 -10.762 1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.015 -9.109 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.465 -10.669 -1.793 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.715 -10.632 0.881 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.036 -10.905 -1.510 1.00 0.00 H new ATOM 749 N LEU A 47 -2.918 -8.461 -1.047 1.00 0.00 N ATOM 750 CA LEU A 47 -2.714 -7.308 -1.904 1.00 0.00 C ATOM 751 C LEU A 47 -1.502 -7.479 -2.802 1.00 0.00 C ATOM 752 O LEU A 47 -1.628 -7.738 -4.005 1.00 0.00 O ATOM 753 CB LEU A 47 -2.579 -6.030 -1.058 1.00 0.00 C ATOM 754 CG LEU A 47 -2.596 -4.730 -1.866 1.00 0.00 C ATOM 755 CD1 LEU A 47 -4.015 -4.226 -2.042 1.00 0.00 C ATOM 756 CD2 LEU A 47 -1.732 -3.668 -1.176 1.00 0.00 C ATOM 0 H LEU A 47 -2.207 -8.582 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.589 -7.218 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.391 -6.002 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.648 -6.080 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.182 -4.932 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.004 -3.301 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.605 -4.976 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.458 -4.038 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.752 -2.748 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.123 -3.473 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.706 -4.027 -1.099 1.00 0.00 H new ATOM 768 N GLN A 48 -0.304 -7.307 -2.240 1.00 0.00 N ATOM 769 CA GLN A 48 0.855 -7.433 -3.007 1.00 0.00 C ATOM 770 C GLN A 48 0.806 -6.529 -4.228 1.00 0.00 C ATOM 771 O GLN A 48 1.388 -6.842 -5.273 1.00 0.00 O ATOM 772 CB GLN A 48 1.094 -8.883 -3.437 1.00 0.00 C ATOM 773 CG GLN A 48 2.556 -9.243 -3.599 1.00 0.00 C ATOM 774 CD GLN A 48 3.422 -8.801 -2.429 1.00 0.00 C ATOM 775 OE1 GLN A 48 4.578 -8.427 -2.610 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.856 -8.817 -1.222 1.00 0.00 N ATOM 0 H GLN A 48 -0.150 -7.082 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 48 1.689 -7.124 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.646 -9.549 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.580 -9.061 -4.381 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.645 -10.323 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.935 -8.788 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.893 -9.135 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.386 -8.511 -0.406 1.00 0.00 H new ATOM 785 N ASP A 49 0.129 -5.402 -4.093 1.00 0.00 N ATOM 786 CA ASP A 49 0.010 -4.446 -5.191 1.00 0.00 C ATOM 787 C ASP A 49 -0.676 -5.072 -6.361 1.00 0.00 C ATOM 788 O ASP A 49 -0.493 -4.656 -7.502 1.00 0.00 O ATOM 789 CB ASP A 49 1.360 -3.950 -5.635 1.00 0.00 C ATOM 790 CG ASP A 49 1.557 -2.474 -5.374 1.00 0.00 C ATOM 791 OD1 ASP A 49 0.863 -1.933 -4.487 1.00 0.00 O ATOM 792 OD2 ASP A 49 2.402 -1.856 -6.059 1.00 0.00 O ATOM 0 H ASP A 49 -0.348 -5.122 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.577 -3.605 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.137 -4.513 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.481 -4.145 -6.700 1.00 0.00 H new ATOM 797 N ALA A 50 -1.501 -6.067 -6.079 1.00 0.00 N ATOM 798 CA ALA A 50 -2.261 -6.749 -7.128 1.00 0.00 C ATOM 799 C ALA A 50 -1.358 -7.588 -8.037 1.00 0.00 C ATOM 800 O ALA A 50 -1.806 -8.108 -9.057 1.00 0.00 O ATOM 801 CB ALA A 50 -3.024 -5.722 -7.954 1.00 0.00 C ATOM 0 H ALA A 50 -1.665 -6.424 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.961 -7.431 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.590 -6.231 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.710 -5.173 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.320 -5.027 -8.411 1.00 0.00 H new ATOM 807 N ILE A 51 -0.110 -7.704 -7.646 1.00 0.00 N ATOM 808 CA ILE A 51 0.816 -8.476 -8.412 1.00 0.00 C ATOM 809 C ILE A 51 0.692 -8.240 -9.917 1.00 0.00 C ATOM 810 O ILE A 51 -0.054 -8.882 -10.589 1.00 0.00 O ATOM 811 CB ILE A 51 0.705 -9.990 -8.126 1.00 0.00 C ATOM 812 CG1 ILE A 51 -0.675 -10.451 -8.192 1.00 0.00 C ATOM 813 CG2 ILE A 51 1.306 -10.312 -6.761 1.00 0.00 C ATOM 814 CD1 ILE A 51 -0.844 -11.943 -8.005 1.00 0.00 C ATOM 0 H ILE A 51 0.277 -7.273 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 51 1.797 -8.127 -8.090 1.00 0.00 H new ATOM 0 HB ILE A 51 1.265 -10.516 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.255 -9.933 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.094 -10.168 -9.158 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.222 -11.382 -6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.357 -10.022 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.769 -9.762 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.901 -12.200 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.294 -12.472 -8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.458 -12.233 -7.028 1.00 0.00 H new ATOM 826 N GLU A 52 1.490 -7.315 -10.427 1.00 0.00 N ATOM 827 CA GLU A 52 1.476 -6.989 -11.857 1.00 0.00 C ATOM 828 C GLU A 52 0.141 -6.373 -12.243 1.00 0.00 C ATOM 829 O GLU A 52 0.025 -5.150 -12.340 1.00 0.00 O ATOM 830 CB GLU A 52 1.745 -8.244 -12.699 1.00 0.00 C ATOM 831 CG GLU A 52 3.192 -8.354 -13.167 1.00 0.00 C ATOM 832 CD GLU A 52 3.353 -7.987 -14.625 1.00 0.00 C ATOM 833 OE1 GLU A 52 2.963 -8.792 -15.496 1.00 0.00 O ATOM 834 OE2 GLU A 52 3.872 -6.889 -14.904 1.00 0.00 O ATOM 0 H GLU A 52 2.157 -6.773 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 52 2.267 -6.265 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.491 -9.128 -12.114 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.088 -8.238 -13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.819 -7.702 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.546 -9.373 -13.010 1.00 0.00 H new ATOM 841 N ASN A 53 -0.786 -7.218 -12.466 1.00 0.00 N ATOM 842 CA ASN A 53 -2.110 -6.762 -12.833 1.00 0.00 C ATOM 843 C ASN A 53 -2.860 -6.249 -11.604 1.00 0.00 C ATOM 844 O ASN A 53 -2.295 -6.166 -10.514 1.00 0.00 O ATOM 845 CB ASN A 53 -2.911 -7.872 -13.509 1.00 0.00 C ATOM 846 CG ASN A 53 -2.539 -9.264 -13.016 1.00 0.00 C ATOM 847 OD1 ASN A 53 -2.268 -9.390 -11.722 1.00 0.00 O flip ATOM 848 ND2 ASN A 53 -2.509 -10.217 -13.800 1.00 0.00 N flip ATOM 0 H ASN A 53 -0.677 -8.230 -12.407 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.993 -5.944 -13.544 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.973 -7.703 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.754 -7.821 -14.586 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.725 -10.073 -14.786 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.269 -11.149 -13.461 1.00 0.00 H new ATOM 855 N GLY A 54 -4.131 -5.890 -11.798 1.00 0.00 N ATOM 856 CA GLY A 54 -4.919 -5.369 -10.698 1.00 0.00 C ATOM 857 C GLY A 54 -5.787 -6.435 -10.035 1.00 0.00 C ATOM 858 O GLY A 54 -6.981 -6.236 -9.851 1.00 0.00 O ATOM 0 H GLY A 54 -4.622 -5.951 -12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.252 -4.935 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.556 -4.564 -11.063 1.00 0.00 H new ATOM 862 N CYS A 55 -5.171 -7.571 -9.692 1.00 0.00 N ATOM 863 CA CYS A 55 -5.901 -8.653 -9.055 1.00 0.00 C ATOM 864 C CYS A 55 -6.989 -9.173 -9.984 1.00 0.00 C ATOM 865 O CYS A 55 -8.179 -9.025 -9.710 1.00 0.00 O ATOM 866 CB CYS A 55 -6.494 -8.195 -7.726 1.00 0.00 C ATOM 867 SG CYS A 55 -5.892 -9.104 -6.279 1.00 0.00 S ATOM 0 H CYS A 55 -4.180 -7.757 -9.846 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.206 -9.467 -8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.274 -7.136 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.579 -8.292 -7.774 1.00 0.00 H new ATOM 872 N LYS A 56 -6.565 -9.767 -11.091 1.00 0.00 N ATOM 873 CA LYS A 56 -7.489 -10.317 -12.078 1.00 0.00 C ATOM 874 C LYS A 56 -8.576 -11.156 -11.425 1.00 0.00 C ATOM 875 O LYS A 56 -9.678 -11.285 -11.959 1.00 0.00 O ATOM 876 CB LYS A 56 -6.720 -11.143 -13.112 1.00 0.00 C ATOM 877 CG LYS A 56 -5.465 -10.470 -13.622 1.00 0.00 C ATOM 878 CD LYS A 56 -5.509 -10.255 -15.120 1.00 0.00 C ATOM 879 CE LYS A 56 -5.274 -11.539 -15.887 1.00 0.00 C ATOM 880 NZ LYS A 56 -6.511 -12.371 -15.967 1.00 0.00 N ATOM 0 H LYS A 56 -5.580 -9.882 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.980 -9.483 -12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.452 -12.103 -12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.377 -11.353 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.338 -9.510 -13.121 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.597 -11.079 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.478 -9.839 -15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.754 -9.521 -15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.929 -11.303 -16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.482 -12.111 -15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.439 -13.023 -16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.619 -12.918 -15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.338 -11.753 -16.094 1.00 0.00 H new ATOM 894 N LYS A 57 -8.261 -11.727 -10.261 1.00 0.00 N ATOM 895 CA LYS A 57 -9.216 -12.557 -9.541 1.00 0.00 C ATOM 896 C LYS A 57 -9.966 -11.742 -8.481 1.00 0.00 C ATOM 897 O LYS A 57 -11.087 -12.079 -8.111 1.00 0.00 O ATOM 898 CB LYS A 57 -8.502 -13.740 -8.879 1.00 0.00 C ATOM 899 CG LYS A 57 -9.446 -14.723 -8.213 1.00 0.00 C ATOM 900 CD LYS A 57 -8.821 -15.337 -6.973 1.00 0.00 C ATOM 901 CE LYS A 57 -7.882 -16.480 -7.320 1.00 0.00 C ATOM 902 NZ LYS A 57 -7.357 -17.160 -6.112 1.00 0.00 N ATOM 0 H LYS A 57 -7.355 -11.628 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.941 -12.935 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.914 -14.266 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.801 -13.361 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.372 -14.215 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.710 -15.511 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.273 -14.571 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.608 -15.701 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.408 -17.204 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.049 -16.097 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.721 -17.932 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.832 -16.477 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.149 -17.549 -5.561 1.00 0.00 H new ATOM 916 N CYS A 58 -9.327 -10.690 -7.991 1.00 0.00 N ATOM 917 CA CYS A 58 -9.923 -9.831 -6.970 1.00 0.00 C ATOM 918 C CYS A 58 -10.556 -8.594 -7.590 1.00 0.00 C ATOM 919 O CYS A 58 -10.332 -8.288 -8.764 1.00 0.00 O ATOM 920 CB CYS A 58 -8.885 -9.416 -5.916 1.00 0.00 C ATOM 921 SG CYS A 58 -7.375 -10.442 -5.888 1.00 0.00 S ATOM 0 H CYS A 58 -8.392 -10.407 -8.283 1.00 0.00 H new ATOM 0 HA CYS A 58 -10.704 -10.411 -6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.600 -8.379 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.352 -9.453 -4.932 1.00 0.00 H new ATOM 926 N THR A 59 -11.333 -7.874 -6.787 1.00 0.00 N ATOM 927 CA THR A 59 -12.003 -6.665 -7.249 1.00 0.00 C ATOM 928 C THR A 59 -10.982 -5.610 -7.699 1.00 0.00 C ATOM 929 O THR A 59 -9.780 -5.884 -7.753 1.00 0.00 O ATOM 930 CB THR A 59 -12.877 -6.092 -6.127 1.00 0.00 C ATOM 931 OG1 THR A 59 -13.517 -4.893 -6.543 1.00 0.00 O ATOM 932 CG2 THR A 59 -12.114 -5.798 -4.861 1.00 0.00 C ATOM 0 H THR A 59 -11.514 -8.108 -5.811 1.00 0.00 H new ATOM 0 HA THR A 59 -12.629 -6.926 -8.102 1.00 0.00 H new ATOM 0 HB THR A 59 -13.609 -6.870 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 59 -13.999 -4.500 -5.786 1.00 0.00 H new ATOM 0 HG21 THR A 59 -12.795 -5.395 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.663 -6.717 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.331 -5.069 -5.069 1.00 0.00 H new ATOM 940 N GLU A 60 -11.471 -4.416 -8.013 1.00 0.00 N ATOM 941 CA GLU A 60 -10.611 -3.330 -8.464 1.00 0.00 C ATOM 942 C GLU A 60 -10.570 -2.197 -7.441 1.00 0.00 C ATOM 943 O GLU A 60 -9.615 -1.433 -7.389 1.00 0.00 O ATOM 944 CB GLU A 60 -11.092 -2.795 -9.808 1.00 0.00 C ATOM 945 CG GLU A 60 -10.079 -1.908 -10.511 1.00 0.00 C ATOM 946 CD GLU A 60 -10.432 -1.637 -11.956 1.00 0.00 C ATOM 947 OE1 GLU A 60 -10.259 -2.546 -12.792 1.00 0.00 O ATOM 948 OE2 GLU A 60 -10.881 -0.519 -12.252 1.00 0.00 O ATOM 0 H GLU A 60 -12.461 -4.176 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.603 -3.729 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.337 -3.636 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.012 -2.231 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.002 -0.960 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.098 -2.380 -10.465 1.00 0.00 H new ATOM 955 N ASN A 61 -11.629 -2.093 -6.628 1.00 0.00 N ATOM 956 CA ASN A 61 -11.695 -1.041 -5.611 1.00 0.00 C ATOM 957 C ASN A 61 -10.388 -0.963 -4.829 1.00 0.00 C ATOM 958 O ASN A 61 -9.875 0.064 -4.559 1.00 0.00 O ATOM 959 CB ASN A 61 -12.868 -1.290 -4.659 1.00 0.00 C ATOM 960 CG ASN A 61 -12.889 -2.713 -4.123 1.00 0.00 C ATOM 961 OD1 ASN A 61 -13.951 -3.439 -4.440 1.00 0.00 O flip ATOM 962 ND2 ASN A 61 -11.964 -3.148 -3.434 1.00 0.00 N flip ATOM 0 H ASN A 61 -12.438 -2.714 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.851 -0.088 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.809 -0.591 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.804 -1.087 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.166 -2.551 -3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.996 -4.105 -3.082 1.00 0.00 H new ATOM 969 N GLN A 62 -9.837 -2.133 -4.482 1.00 0.00 N ATOM 970 CA GLN A 62 -8.577 -2.190 -3.753 1.00 0.00 C ATOM 971 C GLN A 62 -7.551 -1.246 -4.362 1.00 0.00 C ATOM 972 O GLN A 62 -6.866 -0.511 -3.655 1.00 0.00 O ATOM 973 CB GLN A 62 -8.024 -3.618 -3.743 1.00 0.00 C ATOM 974 CG GLN A 62 -9.041 -4.656 -3.302 1.00 0.00 C ATOM 975 CD GLN A 62 -8.401 -6.004 -3.008 1.00 0.00 C ATOM 976 OE1 GLN A 62 -7.636 -6.143 -2.058 1.00 0.00 O ATOM 977 NE2 GLN A 62 -8.719 -6.995 -3.827 1.00 0.00 N ATOM 0 H GLN A 62 -10.245 -3.043 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.773 -1.877 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.670 -3.869 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.161 -3.661 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.557 -4.300 -2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.795 -4.776 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.360 -6.830 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.323 -7.924 -3.682 1.00 0.00 H new ATOM 986 N GLU A 63 -7.477 -1.270 -5.686 1.00 0.00 N ATOM 987 CA GLU A 63 -6.561 -0.408 -6.403 1.00 0.00 C ATOM 988 C GLU A 63 -6.869 0.977 -6.101 1.00 0.00 C ATOM 989 O GLU A 63 -5.964 1.785 -5.906 1.00 0.00 O ATOM 990 CB GLU A 63 -6.680 -0.667 -7.907 1.00 0.00 C ATOM 991 CG GLU A 63 -5.386 -0.440 -8.669 1.00 0.00 C ATOM 992 CD GLU A 63 -5.617 0.008 -10.075 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.133 -0.697 -10.905 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.290 1.171 -10.345 1.00 0.00 O ATOM 0 H GLU A 63 -8.041 -1.878 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.537 -0.619 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.009 -1.694 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.453 -0.018 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.788 0.307 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.807 -1.363 -8.677 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.158 1.296 -6.049 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.595 2.645 -5.759 1.00 0.00 C ATOM 1003 C LYS A 64 -8.161 3.041 -4.351 1.00 0.00 C ATOM 1004 O LYS A 64 -7.410 4.003 -4.175 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.109 2.757 -5.890 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.645 4.146 -5.594 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.063 4.331 -6.112 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.131 4.134 -7.617 1.00 0.00 C ATOM 1009 NZ LYS A 64 -12.879 5.225 -8.292 1.00 0.00 N ATOM 0 H LYS A 64 -8.916 0.632 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.135 3.322 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.399 2.473 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.577 2.044 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.626 4.320 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.993 4.891 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.728 3.621 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.418 5.330 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.120 4.085 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.609 3.179 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.900 5.049 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.852 5.257 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.410 6.134 -8.106 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.608 2.290 -3.356 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.244 2.570 -1.990 1.00 0.00 C ATOM 1025 C GLY A 65 -6.730 2.646 -1.825 1.00 0.00 C ATOM 1026 O GLY A 65 -6.229 3.347 -0.956 1.00 0.00 O ATOM 0 H GLY A 65 -9.222 1.485 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.694 3.512 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.645 1.794 -1.338 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.024 1.917 -2.682 1.00 0.00 N ATOM 1031 CA ALA A 66 -4.577 1.907 -2.645 1.00 0.00 C ATOM 1032 C ALA A 66 -4.009 3.256 -3.060 1.00 0.00 C ATOM 1033 O ALA A 66 -3.395 3.949 -2.248 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.023 0.804 -3.538 1.00 0.00 C ATOM 0 H ALA A 66 -6.434 1.329 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.272 1.710 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.934 0.814 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.391 -0.162 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.348 0.970 -4.565 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.230 3.644 -4.316 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.739 4.928 -4.797 1.00 0.00 C ATOM 1042 C TYR A 67 -4.109 6.028 -3.807 1.00 0.00 C ATOM 1043 O TYR A 67 -3.259 6.816 -3.392 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.286 5.255 -6.189 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.341 6.084 -7.026 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.831 7.287 -6.552 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -2.961 5.672 -8.299 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.972 8.053 -7.319 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.100 6.426 -9.073 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.613 7.616 -8.576 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.765 8.375 -9.341 1.00 0.00 O ATOM 0 H TYR A 67 -4.739 3.094 -5.008 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.654 4.867 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.503 4.325 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.230 5.789 -6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.111 7.630 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.347 4.743 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.586 8.986 -6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.812 6.087 -10.057 1.00 0.00 H new ATOM 0 HH TYR A 67 0.021 7.843 -9.583 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.370 6.052 -3.390 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.810 7.030 -2.408 1.00 0.00 C ATOM 1063 C ARG A 68 -4.864 7.001 -1.217 1.00 0.00 C ATOM 1064 O ARG A 68 -4.439 8.042 -0.697 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.248 6.740 -1.958 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.071 7.995 -1.715 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.956 8.314 -2.906 1.00 0.00 C ATOM 1068 NE ARG A 68 -8.341 9.291 -3.795 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.015 10.009 -4.696 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -10.325 9.849 -4.827 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -8.381 10.878 -5.466 1.00 0.00 N ATOM 0 H ARG A 68 -6.096 5.413 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.796 8.022 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.742 6.132 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.222 6.149 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.688 7.861 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.406 8.836 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.162 7.398 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.914 8.696 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.334 9.435 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.818 9.177 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.839 10.398 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.373 11.002 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.900 11.424 -6.153 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.502 5.782 -0.804 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.585 5.599 0.221 1.00 0.00 C ATOM 1087 C VAL A 69 -2.179 5.985 -0.121 1.00 0.00 C ATOM 1088 O VAL A 69 -1.377 6.424 0.625 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.610 4.152 0.733 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.504 3.921 1.756 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.971 3.824 1.335 1.00 0.00 C ATOM 0 H VAL A 69 -4.865 4.916 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.909 6.283 1.005 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.435 3.487 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.541 2.889 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.535 4.114 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.644 4.595 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.972 2.795 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.173 4.498 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.743 3.945 0.575 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.871 5.836 -1.402 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.564 6.201 -1.907 1.00 0.00 C ATOM 1103 C ILE A 70 -0.406 7.712 -1.903 1.00 0.00 C ATOM 1104 O ILE A 70 0.529 8.239 -1.455 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.280 5.633 -3.316 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.133 5.325 -3.447 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.710 6.592 -4.428 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.445 3.843 -3.452 1.00 0.00 C ATOM 0 H ILE A 70 -2.510 5.465 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 70 0.171 5.753 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.871 4.724 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.506 5.767 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.674 5.797 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.489 6.147 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.781 6.782 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.167 7.532 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.521 3.698 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.105 3.396 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.934 3.366 -4.289 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.422 8.407 -2.398 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.405 9.856 -2.442 1.00 0.00 C ATOM 1122 C GLU A 71 -1.395 10.429 -1.034 1.00 0.00 C ATOM 1123 O GLU A 71 -0.789 11.468 -0.781 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.620 10.379 -3.211 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.947 9.892 -2.649 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.138 10.494 -3.371 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.517 9.959 -4.434 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.688 11.500 -2.867 1.00 0.00 O ATOM 0 H GLU A 71 -2.270 7.984 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.499 10.174 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.607 11.469 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.541 10.071 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.993 8.805 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.003 10.142 -1.590 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.077 9.747 -0.120 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.139 10.211 1.178 1.00 0.00 C ATOM 1137 C HIS A 72 -0.839 9.908 1.919 1.00 0.00 C ATOM 1138 O HIS A 72 -0.276 10.790 2.569 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.329 9.564 1.906 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.492 10.026 3.323 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.600 10.135 4.328 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -4.707 10.420 3.845 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -3.273 10.601 5.418 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -4.540 10.767 5.108 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.579 8.877 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.278 11.292 1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.243 9.783 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.203 8.481 1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.643 10.441 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.835 10.802 6.384 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.269 11.106 5.736 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.374 8.672 1.829 1.00 0.00 N ATOM 1154 CA LEU A 73 0.776 8.289 2.495 1.00 0.00 C ATOM 1155 C LEU A 73 1.976 8.950 1.837 1.00 0.00 C ATOM 1156 O LEU A 73 2.937 9.311 2.513 1.00 0.00 O ATOM 1157 CB LEU A 73 0.936 6.769 2.493 1.00 0.00 C ATOM 1158 CG LEU A 73 0.282 6.054 3.674 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.979 6.437 4.974 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -1.119 6.378 3.740 1.00 0.00 C ATOM 0 H LEU A 73 -0.813 7.933 1.280 1.00 0.00 H new ATOM 0 HA LEU A 73 0.705 8.610 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.514 6.375 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.999 6.530 2.485 1.00 0.00 H new ATOM 0 HG LEU A 73 0.382 4.978 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.503 5.921 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.029 6.151 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.904 7.514 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.572 5.862 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.238 7.454 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.609 6.064 2.818 1.00 0.00 H new ATOM 1172 N ILE A 74 1.913 9.105 0.514 1.00 0.00 N ATOM 1173 CA ILE A 74 2.999 9.738 -0.136 1.00 0.00 C ATOM 1174 C ILE A 74 3.330 11.087 0.406 1.00 0.00 C ATOM 1175 O ILE A 74 4.505 11.410 0.631 1.00 0.00 O ATOM 1176 CB ILE A 74 2.647 9.924 -1.638 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.978 8.646 -2.418 1.00 0.00 C ATOM 1178 CG2 ILE A 74 3.376 11.109 -2.243 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.310 8.584 -3.782 1.00 0.00 C ATOM 0 H ILE A 74 1.144 8.806 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 74 3.862 9.092 0.025 1.00 0.00 H new ATOM 0 HB ILE A 74 1.578 10.123 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.058 8.577 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.671 7.781 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.104 11.206 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.097 12.018 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.452 10.955 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.586 7.655 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.228 8.622 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.637 9.431 -4.386 1.00 0.00 H new ATOM 1191 N LYS A 75 2.298 11.860 0.720 1.00 0.00 N ATOM 1192 CA LYS A 75 2.492 13.170 1.330 1.00 0.00 C ATOM 1193 C LYS A 75 2.609 13.036 2.844 1.00 0.00 C ATOM 1194 O LYS A 75 3.322 13.802 3.490 1.00 0.00 O ATOM 1195 CB LYS A 75 1.336 14.106 0.939 1.00 0.00 C ATOM 1196 CG LYS A 75 0.512 14.628 2.103 1.00 0.00 C ATOM 1197 CD LYS A 75 1.265 15.698 2.886 1.00 0.00 C ATOM 1198 CE LYS A 75 0.371 16.867 3.249 1.00 0.00 C ATOM 1199 NZ LYS A 75 -0.757 16.426 3.999 1.00 0.00 N ATOM 0 H LYS A 75 1.323 11.605 0.564 1.00 0.00 H new ATOM 0 HA LYS A 75 3.421 13.604 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.745 14.956 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.675 13.576 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.425 15.041 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.255 13.803 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.677 15.260 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.108 16.055 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.936 17.597 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.036 17.370 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.164 17.230 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.471 16.033 3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.460 15.693 4.674 1.00 0.00 H new ATOM 1213 N ASN A 76 1.921 12.040 3.403 1.00 0.00 N ATOM 1214 CA ASN A 76 1.968 11.800 4.841 1.00 0.00 C ATOM 1215 C ASN A 76 3.410 11.740 5.313 1.00 0.00 C ATOM 1216 O ASN A 76 3.781 12.348 6.323 1.00 0.00 O ATOM 1217 CB ASN A 76 1.248 10.496 5.194 1.00 0.00 C ATOM 1218 CG ASN A 76 1.010 10.342 6.683 1.00 0.00 C ATOM 1219 OD1 ASN A 76 0.011 10.755 7.201 1.00 0.00 O ATOM 1220 ND2 ASN A 76 1.976 9.746 7.373 1.00 0.00 N ATOM 0 H ASN A 76 1.329 11.392 2.884 1.00 0.00 H new ATOM 0 HA ASN A 76 1.461 12.623 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.292 10.461 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.837 9.652 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.883 9.626 8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.811 9.408 6.894 1.00 0.00 H new ATOM 1227 N GLU A 77 4.231 11.017 4.557 1.00 0.00 N ATOM 1228 CA GLU A 77 5.652 10.886 4.871 1.00 0.00 C ATOM 1229 C GLU A 77 6.378 10.077 3.805 1.00 0.00 C ATOM 1230 O GLU A 77 7.388 9.437 4.081 1.00 0.00 O ATOM 1231 CB GLU A 77 5.849 10.243 6.240 1.00 0.00 C ATOM 1232 CG GLU A 77 6.030 11.251 7.374 1.00 0.00 C ATOM 1233 CD GLU A 77 7.406 11.174 8.014 1.00 0.00 C ATOM 1234 OE1 GLU A 77 7.814 10.061 8.411 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.078 12.224 8.108 1.00 0.00 O ATOM 0 H GLU A 77 3.937 10.512 3.721 1.00 0.00 H new ATOM 0 HA GLU A 77 6.078 11.889 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.989 9.611 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.722 9.591 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.869 12.258 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.270 11.076 8.135 1.00 0.00 H new ATOM 1242 N ILE A 78 5.854 10.154 2.581 1.00 0.00 N ATOM 1243 CA ILE A 78 6.405 9.469 1.418 1.00 0.00 C ATOM 1244 C ILE A 78 7.238 8.249 1.783 1.00 0.00 C ATOM 1245 O ILE A 78 8.255 7.958 1.156 1.00 0.00 O ATOM 1246 CB ILE A 78 7.200 10.441 0.527 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.092 10.030 -0.862 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.659 10.555 0.966 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.278 8.552 -1.118 1.00 0.00 C ATOM 0 H ILE A 78 5.021 10.704 2.370 1.00 0.00 H new ATOM 0 HA ILE A 78 5.553 9.097 0.848 1.00 0.00 H new ATOM 0 HB ILE A 78 6.768 11.436 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.111 10.325 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.833 10.578 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.183 11.251 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.703 10.920 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.134 9.575 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.178 8.352 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.269 8.247 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.521 7.990 -0.571 1.00 0.00 H new ATOM 1261 N GLU A 79 6.765 7.507 2.767 1.00 0.00 N ATOM 1262 CA GLU A 79 7.440 6.301 3.167 1.00 0.00 C ATOM 1263 C GLU A 79 6.950 5.156 2.288 1.00 0.00 C ATOM 1264 O GLU A 79 7.478 4.043 2.335 1.00 0.00 O ATOM 1265 CB GLU A 79 7.182 5.984 4.643 1.00 0.00 C ATOM 1266 CG GLU A 79 7.330 7.188 5.559 1.00 0.00 C ATOM 1267 CD GLU A 79 7.454 6.792 7.019 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.540 6.113 7.532 1.00 0.00 O ATOM 1269 OE2 GLU A 79 8.473 7.161 7.650 1.00 0.00 O ATOM 0 H GLU A 79 5.921 7.722 3.297 1.00 0.00 H new ATOM 0 HA GLU A 79 8.515 6.435 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.175 5.579 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.874 5.206 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.210 7.759 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.468 7.844 5.435 1.00 0.00 H new ATOM 1276 N ILE A 80 5.939 5.466 1.481 1.00 0.00 N ATOM 1277 CA ILE A 80 5.345 4.507 0.560 1.00 0.00 C ATOM 1278 C ILE A 80 6.392 3.821 -0.208 1.00 0.00 C ATOM 1279 O ILE A 80 6.487 2.588 -0.223 1.00 0.00 O ATOM 1280 CB ILE A 80 4.323 5.198 -0.282 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.162 5.728 0.464 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.801 4.246 -1.347 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.334 4.614 1.053 1.00 0.00 C ATOM 0 H ILE A 80 5.510 6.391 1.449 1.00 0.00 H new ATOM 0 HA ILE A 80 4.821 3.722 1.105 1.00 0.00 H new ATOM 0 HB ILE A 80 4.843 6.053 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.509 6.386 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.544 6.331 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.056 4.756 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.627 3.920 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.346 3.379 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.488 5.037 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.967 3.971 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.947 4.028 1.737 1.00 0.00 H new ATOM 1295 N TRP A 81 7.179 4.601 -0.921 1.00 0.00 N ATOM 1296 CA TRP A 81 8.220 4.038 -1.781 1.00 0.00 C ATOM 1297 C TRP A 81 9.068 3.034 -1.003 1.00 0.00 C ATOM 1298 O TRP A 81 9.580 2.067 -1.562 1.00 0.00 O ATOM 1299 CB TRP A 81 9.079 5.156 -2.378 1.00 0.00 C ATOM 1300 CG TRP A 81 8.301 6.151 -3.178 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.764 7.329 -3.680 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.920 6.081 -3.576 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.772 7.988 -4.358 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.629 7.241 -4.306 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.895 5.139 -3.388 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.365 7.496 -4.844 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.649 5.398 -3.921 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.387 6.558 -4.647 1.00 0.00 C ATOM 0 H TRP A 81 7.125 5.620 -0.928 1.00 0.00 H new ATOM 0 HA TRP A 81 7.748 3.504 -2.606 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.595 5.676 -1.571 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.846 4.713 -3.013 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.774 7.694 -3.560 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.871 8.889 -4.825 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.079 4.229 -2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.166 8.402 -5.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.855 4.682 -3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.402 6.719 -5.059 1.00 0.00 H new ATOM 1319 N ARG A 82 9.172 3.247 0.235 1.00 0.00 N ATOM 1320 CA ARG A 82 9.924 2.318 1.049 1.00 0.00 C ATOM 1321 C ARG A 82 9.099 1.056 1.277 1.00 0.00 C ATOM 1322 O ARG A 82 9.643 0.006 1.460 1.00 0.00 O ATOM 1323 CB ARG A 82 10.285 2.966 2.385 1.00 0.00 C ATOM 1324 CG ARG A 82 11.667 2.592 2.889 1.00 0.00 C ATOM 1325 CD ARG A 82 11.699 2.499 4.411 1.00 0.00 C ATOM 1326 NE ARG A 82 12.093 3.765 5.021 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.314 3.912 6.328 1.00 0.00 C ATOM 1328 NH1 ARG A 82 12.182 2.890 7.153 1.00 0.00 N ATOM 1329 NH2 ARG A 82 12.675 5.097 6.802 1.00 0.00 N ATOM 0 H ARG A 82 8.763 4.038 0.733 1.00 0.00 H new ATOM 0 HA ARG A 82 10.846 2.051 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.226 4.049 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.545 2.677 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.967 1.637 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.391 3.334 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.715 2.209 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.396 1.717 4.713 1.00 0.00 H new ATOM 0 HE ARG A 82 12.205 4.579 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.908 1.976 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.354 3.014 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.782 5.889 6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.846 5.216 7.801 1.00 0.00 H new ATOM 1343 N GLU A 83 7.779 1.217 1.267 1.00 0.00 N ATOM 1344 CA GLU A 83 6.873 0.121 1.476 1.00 0.00 C ATOM 1345 C GLU A 83 6.813 -0.730 0.299 1.00 0.00 C ATOM 1346 O GLU A 83 6.787 -1.954 0.447 1.00 0.00 O ATOM 1347 CB GLU A 83 5.479 0.635 1.855 1.00 0.00 C ATOM 1348 CG GLU A 83 4.336 -0.135 1.339 1.00 0.00 C ATOM 1349 CD GLU A 83 3.062 0.017 2.147 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.144 -0.009 3.397 1.00 0.00 O ATOM 1351 OE2 GLU A 83 1.988 0.174 1.542 1.00 0.00 O ATOM 0 H GLU A 83 7.320 2.115 1.113 1.00 0.00 H new ATOM 0 HA GLU A 83 7.248 -0.479 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.409 0.663 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.386 1.662 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.140 0.174 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.608 -1.190 1.308 1.00 0.00 H new ATOM 1358 N LEU A 84 6.802 -0.186 -0.849 1.00 0.00 N ATOM 1359 CA LEU A 84 6.758 -1.066 -2.014 1.00 0.00 C ATOM 1360 C LEU A 84 8.148 -1.590 -2.304 1.00 0.00 C ATOM 1361 O LEU A 84 8.308 -2.715 -2.778 1.00 0.00 O ATOM 1362 CB LEU A 84 6.142 -0.449 -3.270 1.00 0.00 C ATOM 1363 CG LEU A 84 6.369 0.948 -3.510 1.00 0.00 C ATOM 1364 CD1 LEU A 84 5.499 1.771 -2.578 1.00 0.00 C ATOM 1365 CD2 LEU A 84 7.840 1.274 -3.329 1.00 0.00 C ATOM 0 H LEU A 84 6.821 0.816 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 84 6.084 -1.881 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.515 -1.002 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.065 -0.611 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 84 6.098 1.194 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.672 2.832 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.450 1.538 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.750 1.536 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.003 2.336 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.144 1.032 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.432 0.689 -4.033 1.00 0.00 H new ATOM 1377 N THR A 85 9.174 -0.801 -1.982 1.00 0.00 N ATOM 1378 CA THR A 85 10.534 -1.267 -2.173 1.00 0.00 C ATOM 1379 C THR A 85 10.705 -2.591 -1.432 1.00 0.00 C ATOM 1380 O THR A 85 11.458 -3.469 -1.855 1.00 0.00 O ATOM 1381 CB THR A 85 11.560 -0.229 -1.707 1.00 0.00 C ATOM 1382 OG1 THR A 85 12.770 -0.371 -2.424 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.892 -0.310 -0.234 1.00 0.00 C ATOM 0 H THR A 85 9.087 0.140 -1.598 1.00 0.00 H new ATOM 0 HA THR A 85 10.714 -1.419 -3.237 1.00 0.00 H new ATOM 0 HB THR A 85 11.089 0.736 -1.896 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.414 0.300 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.625 0.457 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.987 -0.152 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.304 -1.293 -0.007 1.00 0.00 H new ATOM 1391 N ALA A 86 9.978 -2.726 -0.311 1.00 0.00 N ATOM 1392 CA ALA A 86 10.023 -3.941 0.429 1.00 0.00 C ATOM 1393 C ALA A 86 9.034 -4.985 -0.041 1.00 0.00 C ATOM 1394 O ALA A 86 9.360 -6.179 -0.114 1.00 0.00 O ATOM 1395 CB ALA A 86 9.729 -3.629 1.855 1.00 0.00 C ATOM 0 H ALA A 86 9.369 -2.005 0.077 1.00 0.00 H new ATOM 0 HA ALA A 86 11.018 -4.362 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.758 -4.547 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.475 -2.931 2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.739 -3.180 1.933 1.00 0.00 H new ATOM 1401 N LYS A 87 7.852 -4.532 -0.435 1.00 0.00 N ATOM 1402 CA LYS A 87 6.817 -5.426 -0.970 1.00 0.00 C ATOM 1403 C LYS A 87 6.312 -4.896 -2.310 1.00 0.00 C ATOM 1404 O LYS A 87 6.289 -3.692 -2.535 1.00 0.00 O ATOM 1405 CB LYS A 87 5.655 -5.566 0.000 1.00 0.00 C ATOM 1406 CG LYS A 87 5.415 -4.343 0.788 1.00 0.00 C ATOM 1407 CD LYS A 87 4.483 -4.641 1.952 1.00 0.00 C ATOM 1408 CE LYS A 87 3.041 -4.342 1.598 1.00 0.00 C ATOM 1409 NZ LYS A 87 2.195 -4.155 2.811 1.00 0.00 N ATOM 0 H LYS A 87 7.579 -3.550 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 87 7.262 -6.411 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.752 -5.817 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.852 -6.396 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.361 -3.951 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.979 -3.572 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.579 -5.689 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.777 -4.046 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.998 -3.443 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.638 -5.158 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.238 -4.516 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.613 -4.675 3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.144 -3.143 3.046 1.00 0.00 H new ATOM 1423 N TYR A 88 5.919 -5.799 -3.193 1.00 0.00 N ATOM 1424 CA TYR A 88 5.435 -5.420 -4.533 1.00 0.00 C ATOM 1425 C TYR A 88 6.597 -5.295 -5.515 1.00 0.00 C ATOM 1426 O TYR A 88 6.400 -5.285 -6.724 1.00 0.00 O ATOM 1427 CB TYR A 88 4.631 -4.114 -4.509 1.00 0.00 C ATOM 1428 CG TYR A 88 3.696 -3.972 -3.320 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.268 -5.071 -2.595 1.00 0.00 C ATOM 1430 CD2 TYR A 88 3.241 -2.716 -2.927 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.410 -4.934 -1.518 1.00 0.00 C ATOM 1432 CE2 TYR A 88 2.389 -2.565 -1.852 1.00 0.00 C ATOM 1433 CZ TYR A 88 1.975 -3.682 -1.151 1.00 0.00 C ATOM 1434 OH TYR A 88 1.120 -3.536 -0.086 1.00 0.00 O ATOM 0 H TYR A 88 5.921 -6.804 -3.017 1.00 0.00 H new ATOM 0 HA TYR A 88 4.769 -6.217 -4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.326 -3.274 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.046 -4.046 -5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.611 -6.056 -2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.561 -1.842 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.084 -5.805 -0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.049 -1.582 -1.561 1.00 0.00 H new ATOM 0 HH TYR A 88 0.912 -2.586 0.039 1.00 0.00 H new ATOM 1444 N ASP A 89 7.816 -5.194 -4.984 1.00 0.00 N ATOM 1445 CA ASP A 89 9.019 -5.063 -5.807 1.00 0.00 C ATOM 1446 C ASP A 89 8.995 -6.032 -6.988 1.00 0.00 C ATOM 1447 O ASP A 89 9.146 -5.615 -8.138 1.00 0.00 O ATOM 1448 CB ASP A 89 10.271 -5.301 -4.968 1.00 0.00 C ATOM 1449 CG ASP A 89 11.552 -5.084 -5.746 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.910 -3.909 -5.987 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.191 -6.086 -6.142 1.00 0.00 O ATOM 0 H ASP A 89 7.997 -5.201 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 89 9.039 -4.046 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.257 -4.633 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.255 -6.320 -4.581 1.00 0.00 H new ATOM 1456 N PRO A 90 8.794 -7.345 -6.734 1.00 0.00 N ATOM 1457 CA PRO A 90 8.749 -8.351 -7.788 1.00 0.00 C ATOM 1458 C PRO A 90 7.924 -7.903 -8.983 1.00 0.00 C ATOM 1459 O PRO A 90 8.214 -8.263 -10.130 1.00 0.00 O ATOM 1460 CB PRO A 90 8.105 -9.579 -7.109 1.00 0.00 C ATOM 1461 CG PRO A 90 7.731 -9.135 -5.733 1.00 0.00 C ATOM 1462 CD PRO A 90 8.593 -7.947 -5.415 1.00 0.00 C ATOM 0 HA PRO A 90 9.742 -8.554 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.229 -9.917 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.802 -10.416 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.675 -8.871 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.893 -9.935 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.101 -7.261 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.536 -8.241 -4.954 1.00 0.00 H new ATOM 1470 N THR A 91 6.898 -7.094 -8.721 1.00 0.00 N ATOM 1471 CA THR A 91 6.040 -6.584 -9.778 1.00 0.00 C ATOM 1472 C THR A 91 6.270 -5.092 -9.967 1.00 0.00 C ATOM 1473 O THR A 91 6.846 -4.656 -10.968 1.00 0.00 O ATOM 1474 CB THR A 91 4.570 -6.858 -9.445 1.00 0.00 C ATOM 1475 OG1 THR A 91 4.310 -6.606 -8.087 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.143 -8.280 -9.750 1.00 0.00 C ATOM 0 H THR A 91 6.645 -6.780 -7.784 1.00 0.00 H new ATOM 0 HA THR A 91 6.287 -7.095 -10.708 1.00 0.00 H new ATOM 0 HB THR A 91 3.997 -6.184 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.343 -6.630 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.092 -8.408 -9.491 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.283 -8.482 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.747 -8.974 -9.166 1.00 0.00 H new ATOM 1484 N GLY A 92 5.801 -4.297 -9.002 1.00 0.00 N ATOM 1485 CA GLY A 92 5.961 -2.865 -9.073 1.00 0.00 C ATOM 1486 C GLY A 92 5.370 -2.253 -10.331 1.00 0.00 C ATOM 1487 O GLY A 92 5.738 -1.148 -10.720 1.00 0.00 O ATOM 0 H GLY A 92 5.312 -4.630 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.490 -2.411 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.023 -2.623 -9.024 1.00 0.00 H new ATOM 1491 N ASN A 93 4.465 -2.981 -10.967 1.00 0.00 N ATOM 1492 CA ASN A 93 3.822 -2.491 -12.186 1.00 0.00 C ATOM 1493 C ASN A 93 2.984 -1.259 -11.885 1.00 0.00 C ATOM 1494 O ASN A 93 2.774 -0.418 -12.759 1.00 0.00 O ATOM 1495 CB ASN A 93 2.950 -3.592 -12.816 1.00 0.00 C ATOM 1496 CG ASN A 93 2.909 -3.502 -14.325 1.00 0.00 C ATOM 1497 OD1 ASN A 93 3.867 -3.062 -14.959 1.00 0.00 O ATOM 1498 ND2 ASN A 93 1.796 -3.915 -14.912 1.00 0.00 N ATOM 0 H ASN A 93 4.158 -3.906 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 93 4.599 -2.216 -12.899 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.335 -4.569 -12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.936 -3.518 -12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.710 -3.875 -15.928 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.025 -4.273 -14.349 1.00 0.00 H new ATOM 1505 N TRP A 94 2.495 -1.163 -10.657 1.00 0.00 N ATOM 1506 CA TRP A 94 1.691 -0.063 -10.231 1.00 0.00 C ATOM 1507 C TRP A 94 2.544 0.908 -9.497 1.00 0.00 C ATOM 1508 O TRP A 94 2.272 2.100 -9.530 1.00 0.00 O ATOM 1509 CB TRP A 94 0.549 -0.516 -9.346 1.00 0.00 C ATOM 1510 CG TRP A 94 -0.124 -1.659 -9.952 1.00 0.00 C ATOM 1511 CD1 TRP A 94 -0.034 -2.981 -9.623 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -1.077 -1.576 -11.019 1.00 0.00 C ATOM 1513 NE1 TRP A 94 -0.856 -3.725 -10.412 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -1.514 -2.884 -11.280 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -1.596 -0.534 -11.772 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -2.452 -3.165 -12.275 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.529 -0.804 -12.750 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -2.944 -2.118 -13.000 1.00 0.00 C ATOM 0 H TRP A 94 2.656 -1.862 -9.932 1.00 0.00 H new ATOM 0 HA TRP A 94 1.258 0.408 -11.113 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.926 -0.786 -8.360 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.159 0.301 -9.204 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.601 -3.380 -8.846 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.966 -4.738 -10.367 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.272 0.481 -11.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.778 -4.177 -12.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.945 0.007 -13.330 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.666 -2.306 -13.780 1.00 0.00 H new ATOM 1529 N ARG A 95 3.601 0.408 -8.851 1.00 0.00 N ATOM 1530 CA ARG A 95 4.521 1.279 -8.128 1.00 0.00 C ATOM 1531 C ARG A 95 4.989 2.411 -9.021 1.00 0.00 C ATOM 1532 O ARG A 95 5.162 3.544 -8.566 1.00 0.00 O ATOM 1533 CB ARG A 95 5.710 0.472 -7.609 1.00 0.00 C ATOM 1534 CG ARG A 95 6.769 1.327 -6.920 1.00 0.00 C ATOM 1535 CD ARG A 95 7.868 1.739 -7.880 1.00 0.00 C ATOM 1536 NE ARG A 95 8.892 0.706 -8.020 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.773 0.662 -9.028 1.00 0.00 C ATOM 1538 NH1 ARG A 95 9.747 1.589 -9.973 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.659 -0.246 -9.078 1.00 0.00 N ATOM 0 H ARG A 95 3.836 -0.584 -8.816 1.00 0.00 H new ATOM 0 HA ARG A 95 3.999 1.712 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.350 -0.281 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.169 -0.061 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.301 2.217 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.202 0.771 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.434 1.953 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.330 2.661 -7.527 1.00 0.00 H new ATOM 0 HE ARG A 95 8.939 -0.024 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.056 2.338 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.418 1.554 -10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.706 -0.954 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.324 -0.268 -9.851 1.00 0.00 H new ATOM 1553 N LYS A 96 5.189 2.120 -10.299 1.00 0.00 N ATOM 1554 CA LYS A 96 5.629 3.136 -11.247 1.00 0.00 C ATOM 1555 C LYS A 96 4.545 4.182 -11.432 1.00 0.00 C ATOM 1556 O LYS A 96 4.828 5.367 -11.589 1.00 0.00 O ATOM 1557 CB LYS A 96 5.994 2.499 -12.590 1.00 0.00 C ATOM 1558 CG LYS A 96 6.693 3.450 -13.544 1.00 0.00 C ATOM 1559 CD LYS A 96 8.200 3.398 -13.377 1.00 0.00 C ATOM 1560 CE LYS A 96 8.916 3.917 -14.615 1.00 0.00 C ATOM 1561 NZ LYS A 96 10.165 3.158 -14.900 1.00 0.00 N ATOM 0 H LYS A 96 5.054 1.193 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 96 6.519 3.621 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.639 1.638 -12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.086 2.125 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.431 3.195 -14.571 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.341 4.467 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.492 3.992 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.510 2.372 -13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.248 3.851 -15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.156 4.971 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.620 3.545 -15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.814 3.242 -14.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.934 2.156 -15.056 1.00 0.00 H new ATOM 1575 N LYS A 97 3.295 3.734 -11.385 1.00 0.00 N ATOM 1576 CA LYS A 97 2.166 4.643 -11.515 1.00 0.00 C ATOM 1577 C LYS A 97 2.079 5.536 -10.287 1.00 0.00 C ATOM 1578 O LYS A 97 1.940 6.751 -10.385 1.00 0.00 O ATOM 1579 CB LYS A 97 0.865 3.842 -11.691 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.303 4.583 -11.237 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.495 4.249 -12.118 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.887 5.421 -13.000 1.00 0.00 C ATOM 1583 NZ LYS A 97 -1.129 5.421 -14.285 1.00 0.00 N ATOM 0 H LYS A 97 3.041 2.754 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 97 2.309 5.271 -12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.741 3.580 -12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.938 2.907 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.524 4.333 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.102 5.654 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.256 3.388 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.341 3.965 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.956 5.379 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.702 6.355 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.423 6.235 -14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.110 5.487 -14.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.325 4.541 -14.804 1.00 0.00 H new ATOM 1597 N TYR A 98 2.183 4.910 -9.116 1.00 0.00 N ATOM 1598 CA TYR A 98 2.139 5.633 -7.862 1.00 0.00 C ATOM 1599 C TYR A 98 3.286 6.634 -7.774 1.00 0.00 C ATOM 1600 O TYR A 98 3.133 7.720 -7.227 1.00 0.00 O ATOM 1601 CB TYR A 98 2.219 4.665 -6.688 1.00 0.00 C ATOM 1602 CG TYR A 98 0.995 3.808 -6.479 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.205 4.297 -6.709 1.00 0.00 C ATOM 1604 CD2 TYR A 98 1.117 2.496 -6.013 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.311 3.519 -6.480 1.00 0.00 C ATOM 1606 CE2 TYR A 98 0.023 1.719 -5.781 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.161 2.225 -6.015 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.272 1.455 -5.794 1.00 0.00 O ATOM 0 H TYR A 98 2.298 3.901 -9.017 1.00 0.00 H new ATOM 0 HA TYR A 98 1.194 6.174 -7.819 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.080 4.012 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.403 5.236 -5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.318 5.306 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.101 2.089 -5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.298 3.916 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.130 0.709 -5.413 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.999 0.572 -5.470 1.00 0.00 H new ATOM 1618 N GLU A 99 4.441 6.249 -8.325 1.00 0.00 N ATOM 1619 CA GLU A 99 5.622 7.116 -8.287 1.00 0.00 C ATOM 1620 C GLU A 99 5.493 8.243 -9.305 1.00 0.00 C ATOM 1621 O GLU A 99 5.947 9.365 -9.053 1.00 0.00 O ATOM 1622 CB GLU A 99 6.891 6.305 -8.559 1.00 0.00 C ATOM 1623 CG GLU A 99 7.105 5.174 -7.567 1.00 0.00 C ATOM 1624 CD GLU A 99 8.224 5.471 -6.590 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.585 6.655 -6.432 1.00 0.00 O ATOM 1626 OE2 GLU A 99 8.759 4.512 -5.982 1.00 0.00 O ATOM 0 H GLU A 99 4.583 5.356 -8.796 1.00 0.00 H new ATOM 0 HA GLU A 99 5.692 7.553 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.841 5.891 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.753 6.972 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.181 4.998 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.333 4.256 -8.109 1.00 0.00 H new ATOM 1633 N ASP A 100 4.892 7.949 -10.449 1.00 0.00 N ATOM 1634 CA ASP A 100 4.714 8.958 -11.500 1.00 0.00 C ATOM 1635 C ASP A 100 4.058 10.208 -10.922 1.00 0.00 C ATOM 1636 O ASP A 100 4.452 11.329 -11.232 1.00 0.00 O ATOM 1637 CB ASP A 100 3.893 8.381 -12.659 1.00 0.00 C ATOM 1638 CG ASP A 100 2.438 8.850 -12.677 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.205 10.058 -12.907 1.00 0.00 O ATOM 1640 OD2 ASP A 100 1.540 8.006 -12.456 1.00 0.00 O ATOM 0 H ASP A 100 4.519 7.028 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 100 5.691 9.241 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.366 8.659 -13.601 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.914 7.293 -12.600 1.00 0.00 H new ATOM 1645 N ARG A 101 3.043 10.005 -10.072 1.00 0.00 N ATOM 1646 CA ARG A 101 2.342 11.113 -9.450 1.00 0.00 C ATOM 1647 C ARG A 101 3.291 11.960 -8.614 1.00 0.00 C ATOM 1648 O ARG A 101 3.290 13.186 -8.714 1.00 0.00 O ATOM 1649 CB ARG A 101 1.206 10.589 -8.569 1.00 0.00 C ATOM 1650 CG ARG A 101 0.002 11.391 -8.725 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.656 11.644 -7.380 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.185 13.001 -7.281 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.104 13.383 -6.394 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.602 12.497 -5.532 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.523 14.639 -6.364 1.00 0.00 N ATOM 0 H ARG A 101 2.697 9.083 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 101 1.928 11.738 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.991 9.552 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.519 10.598 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.251 12.341 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.697 10.880 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.464 10.927 -7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.069 11.478 -6.584 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.829 13.701 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.280 11.529 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.305 12.786 -4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.142 15.319 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.226 14.926 -5.683 1.00 0.00 H new ATOM 1669 N ALA A 102 4.102 11.291 -7.801 1.00 0.00 N ATOM 1670 CA ALA A 102 5.068 11.979 -6.955 1.00 0.00 C ATOM 1671 C ALA A 102 5.995 12.866 -7.780 1.00 0.00 C ATOM 1672 O ALA A 102 6.669 13.748 -7.245 1.00 0.00 O ATOM 1673 CB ALA A 102 5.865 10.977 -6.137 1.00 0.00 C ATOM 0 H ALA A 102 4.109 10.275 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 102 4.517 12.625 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.582 11.507 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.188 10.402 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.398 10.302 -6.807 1.00 0.00 H new ATOM 1679 N LYS A 103 6.019 12.622 -9.090 1.00 0.00 N ATOM 1680 CA LYS A 103 6.873 13.410 -9.983 1.00 0.00 C ATOM 1681 C LYS A 103 6.181 14.708 -10.352 1.00 0.00 C ATOM 1682 O LYS A 103 6.807 15.767 -10.385 1.00 0.00 O ATOM 1683 CB LYS A 103 7.196 12.609 -11.247 1.00 0.00 C ATOM 1684 CG LYS A 103 8.626 12.794 -11.733 1.00 0.00 C ATOM 1685 CD LYS A 103 8.690 13.037 -13.226 1.00 0.00 C ATOM 1686 CE LYS A 103 9.006 11.759 -13.984 1.00 0.00 C ATOM 1687 NZ LYS A 103 9.533 12.038 -15.344 1.00 0.00 N ATOM 0 H LYS A 103 5.468 11.899 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 103 7.804 13.641 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.021 11.551 -11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.510 12.905 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.081 13.634 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.211 11.909 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.738 13.440 -13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.451 13.787 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.737 11.176 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.105 11.151 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.736 11.140 -15.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.826 12.572 -15.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.407 12.597 -15.270 1.00 0.00 H new ATOM 1701 N ALA A 104 4.876 14.632 -10.603 1.00 0.00 N ATOM 1702 CA ALA A 104 4.097 15.797 -10.955 1.00 0.00 C ATOM 1703 C ALA A 104 3.894 16.695 -9.738 1.00 0.00 C ATOM 1704 O ALA A 104 3.803 17.920 -9.855 1.00 0.00 O ATOM 1705 CB ALA A 104 2.754 15.389 -11.539 1.00 0.00 C ATOM 0 H ALA A 104 4.340 13.765 -10.566 1.00 0.00 H new ATOM 0 HA ALA A 104 4.647 16.357 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.183 16.281 -11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.914 14.789 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.200 14.804 -10.804 1.00 0.00 H new ATOM 1711 N ALA A 105 3.821 16.072 -8.562 1.00 0.00 N ATOM 1712 CA ALA A 105 3.637 16.809 -7.322 1.00 0.00 C ATOM 1713 C ALA A 105 4.962 17.276 -6.752 1.00 0.00 C ATOM 1714 O ALA A 105 5.074 18.402 -6.245 1.00 0.00 O ATOM 1715 CB ALA A 105 2.902 15.947 -6.303 1.00 0.00 C ATOM 0 H ALA A 105 3.887 15.061 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 105 3.038 17.692 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.770 16.509 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.926 15.667 -6.700 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.483 15.047 -6.101 1.00 0.00 H new ATOM 1721 N GLY A 106 5.981 16.425 -6.830 1.00 0.00 N ATOM 1722 CA GLY A 106 7.293 16.769 -6.310 1.00 0.00 C ATOM 1723 C GLY A 106 7.725 15.838 -5.197 1.00 0.00 C ATOM 1724 O GLY A 106 8.916 15.561 -5.039 1.00 0.00 O ATOM 0 H GLY A 106 5.920 15.496 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.024 16.732 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.279 17.794 -5.940 1.00 0.00 H new ATOM 1728 N ILE A 107 6.758 15.356 -4.433 1.00 0.00 N ATOM 1729 CA ILE A 107 7.024 14.446 -3.324 1.00 0.00 C ATOM 1730 C ILE A 107 7.805 13.217 -3.803 1.00 0.00 C ATOM 1731 O ILE A 107 7.584 12.714 -4.898 1.00 0.00 O ATOM 1732 CB ILE A 107 5.713 13.983 -2.648 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.982 12.900 -1.590 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.737 13.451 -3.696 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.872 13.375 -0.458 1.00 0.00 C ATOM 0 H ILE A 107 5.771 15.581 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 107 7.621 14.994 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 107 5.273 14.846 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.032 12.561 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.446 12.039 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.818 13.128 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.509 14.239 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.187 12.606 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 107 7.021 12.562 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.836 13.688 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.399 14.217 0.048 1.00 0.00 H new ATOM 1747 N VAL A 108 8.726 12.752 -2.959 1.00 0.00 N ATOM 1748 CA VAL A 108 9.534 11.593 -3.286 1.00 0.00 C ATOM 1749 C VAL A 108 10.145 10.979 -2.035 1.00 0.00 C ATOM 1750 O VAL A 108 10.184 11.614 -0.978 1.00 0.00 O ATOM 1751 CB VAL A 108 10.651 11.943 -4.295 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.771 12.716 -3.620 1.00 0.00 C ATOM 1753 CG2 VAL A 108 11.178 10.674 -4.959 1.00 0.00 C ATOM 0 H VAL A 108 8.926 13.164 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 108 8.869 10.864 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 108 10.230 12.585 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.544 12.950 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.374 13.642 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.199 12.112 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.964 10.934 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.581 10.006 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.365 10.175 -5.486 1.00 0.00 H new ATOM 1763 N ILE A 109 10.624 9.741 -2.148 1.00 0.00 N ATOM 1764 CA ILE A 109 11.222 9.046 -1.018 1.00 0.00 C ATOM 1765 C ILE A 109 12.328 9.878 -0.378 1.00 0.00 C ATOM 1766 O ILE A 109 13.117 10.507 -1.080 1.00 0.00 O ATOM 1767 CB ILE A 109 11.756 7.658 -1.431 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.823 6.737 -0.209 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.118 7.774 -2.097 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.481 6.546 0.377 1.00 0.00 C ATOM 0 H ILE A 109 10.608 9.201 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 109 10.437 8.899 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 109 11.069 7.225 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.240 5.772 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.493 7.163 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.471 6.782 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.035 8.396 -2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.825 8.228 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.553 5.889 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.078 7.511 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.820 6.098 -0.365 1.00 0.00 H new ATOM 1782 N PRO A 110 12.423 9.887 0.883 1.00 0.00 N ATOM 1783 CA PRO A 110 13.443 10.639 1.601 1.00 0.00 C ATOM 1784 C PRO A 110 14.786 9.915 1.637 1.00 0.00 C ATOM 1785 O PRO A 110 15.408 9.792 2.691 1.00 0.00 O ATOM 1786 CB PRO A 110 12.872 10.784 3.016 1.00 0.00 C ATOM 1787 CG PRO A 110 11.542 10.082 3.010 1.00 0.00 C ATOM 1788 CD PRO A 110 11.542 9.174 1.813 1.00 0.00 C ATOM 0 HA PRO A 110 13.649 11.594 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.542 10.341 3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.756 11.835 3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.400 9.512 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.725 10.801 2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.923 8.182 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.541 9.040 1.404 1.00 0.00 H new ATOM 1796 N GLU A 111 15.226 9.436 0.479 1.00 0.00 N ATOM 1797 CA GLU A 111 16.486 8.719 0.386 1.00 0.00 C ATOM 1798 C GLU A 111 17.658 9.686 0.288 1.00 0.00 C ATOM 1799 O GLU A 111 18.414 9.669 -0.605 1.00 0.00 O ATOM 1800 CB GLU A 111 16.459 7.797 -0.752 1.00 0.00 C ATOM 1801 CG GLU A 111 15.495 6.621 -0.607 1.00 0.00 C ATOM 1802 CD GLU A 111 16.084 5.480 0.142 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.982 5.731 0.938 1.00 0.00 O ATOM 1804 OE2 GLU A 111 15.643 4.334 -0.002 1.00 0.00 O ATOM 0 H GLU A 111 14.728 9.532 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 111 16.622 8.134 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.193 8.357 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.465 7.406 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.593 6.958 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.192 6.281 -1.598 1.00 0.00 H new ATOM 1811 N GLU A 112 17.807 10.535 1.298 1.00 0.00 N ATOM 1812 CA GLU A 112 18.882 11.505 1.336 1.00 0.00 C ATOM 1813 C GLU A 112 19.039 12.105 2.724 1.00 0.00 C ATOM 1814 O GLU A 112 20.160 12.034 3.274 1.00 0.00 O ATOM 1815 CB GLU A 112 18.619 12.619 0.321 1.00 0.00 C ATOM 1816 CG GLU A 112 19.885 13.157 -0.248 1.00 0.00 C ATOM 1817 CD GLU A 112 20.081 12.635 -1.658 1.00 0.00 C ATOM 1818 OE1 GLU A 112 19.309 13.048 -2.557 1.00 0.00 O ATOM 1819 OE2 GLU A 112 21.000 11.821 -1.867 1.00 0.00 O ATOM 1820 OXT GLU A 112 18.033 12.633 3.257 1.00 0.00 O ATOM 0 H GLU A 112 17.187 10.567 2.107 1.00 0.00 H new ATOM 0 HA GLU A 112 19.807 10.988 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.992 12.237 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.065 13.425 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 112 19.856 14.247 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 112 20.728 12.864 0.378 1.00 0.00 H new TER 1827 GLU A 112