USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 96 LYS NZ :NH3+ -133:sc= -0.83 (180deg=-3.63!) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.689 K(o=-0.14,f=-0.87) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=-0.0026) USER MOD Set 2.2: A 26 TYR OH : rot 30:sc=-0.00256 USER MOD Set 3.1: A 1 MET N :NH3+ 136:sc= 0.123 (180deg=-0.4) USER MOD Set 3.2: A 44 SER OG : rot -19:sc= 0.558 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.419) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -65:sc= 1.1 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 47:sc= -1.21! USER MOD Single : A 30 CYS SG : rot 150:sc= -1.42 USER MOD Single : A 33 CYS SG : rot -155:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0398 (180deg=-0.289) USER MOD Single : A 35 MET CE :methyl 158:sc= -0.146 (180deg=-0.813) USER MOD Single : A 39 MET CE :methyl 173:sc= -4.17! (180deg=-4.59!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -127:sc= 0.997 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.478 F(o=-2.5,f=-0.48) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= -3.81! (180deg=-4.61!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.256 F(o=-1.4,f=-0.26) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.43) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 107:sc= -5.58! USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= -0.021 (180deg=-0.142) USER MOD Single : A 80 ASN : amide:sc= -0.863 K(o=-0.86,f=-3.7!) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= -0.0119 (180deg=-0.203) USER MOD Single : A 86 LYS NZ :NH3+ -107:sc= 0.0496 (180deg=-0.906) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -2.15 K(o=-2.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.046 12.499 3.884 1.00 0.00 N ATOM 2 CA MET A 1 -1.393 12.132 3.824 1.00 0.00 C ATOM 3 C MET A 1 -1.572 10.625 3.678 1.00 0.00 C ATOM 4 O MET A 1 -0.600 9.870 3.698 1.00 0.00 O ATOM 5 CB MET A 1 -2.032 12.858 2.637 1.00 0.00 C ATOM 6 CG MET A 1 -1.392 12.523 1.301 1.00 0.00 C ATOM 7 SD MET A 1 -2.155 13.401 -0.076 1.00 0.00 S ATOM 8 CE MET A 1 -1.173 12.800 -1.447 1.00 0.00 C ATOM 0 H1 MET A 1 0.218 13.329 3.282 1.00 0.00 H new ATOM 0 H2 MET A 1 0.306 12.724 4.866 1.00 0.00 H new ATOM 0 H3 MET A 1 0.622 11.701 3.547 1.00 0.00 H new ATOM 0 HA MET A 1 -1.878 12.431 4.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.092 12.606 2.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.966 13.933 2.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.331 12.768 1.340 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.465 11.449 1.127 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.525 13.254 -2.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.127 13.063 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.268 11.716 -1.515 1.00 0.00 H new ATOM 20 N VAL A 2 -2.822 10.193 3.531 1.00 0.00 N ATOM 21 CA VAL A 2 -3.127 8.776 3.385 1.00 0.00 C ATOM 22 C VAL A 2 -4.572 8.576 2.934 1.00 0.00 C ATOM 23 O VAL A 2 -5.485 9.226 3.444 1.00 0.00 O ATOM 24 CB VAL A 2 -2.887 8.020 4.709 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.887 8.452 5.772 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.943 6.517 4.489 1.00 0.00 C ATOM 0 H VAL A 2 -3.638 10.805 3.510 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.459 8.372 2.624 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.889 8.273 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.696 7.904 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.783 9.521 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.899 8.240 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.771 6.004 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.924 6.242 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.174 6.225 3.773 1.00 0.00 H new ATOM 36 N THR A 3 -4.777 7.681 1.972 1.00 0.00 N ATOM 37 CA THR A 3 -6.116 7.411 1.459 1.00 0.00 C ATOM 38 C THR A 3 -6.242 5.970 0.973 1.00 0.00 C ATOM 39 O THR A 3 -5.242 5.299 0.720 1.00 0.00 O ATOM 40 CB THR A 3 -6.447 8.376 0.319 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.370 9.720 0.763 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.829 8.166 -0.263 1.00 0.00 C ATOM 0 H THR A 3 -4.037 7.133 1.534 1.00 0.00 H new ATOM 0 HA THR A 3 -6.824 7.558 2.274 1.00 0.00 H new ATOM 0 HB THR A 3 -5.709 8.171 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.583 10.323 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.998 8.883 -1.066 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.907 7.153 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.578 8.310 0.516 1.00 0.00 H new ATOM 50 N GLN A 4 -7.482 5.505 0.841 1.00 0.00 N ATOM 51 CA GLN A 4 -7.754 4.147 0.382 1.00 0.00 C ATOM 52 C GLN A 4 -8.196 4.158 -1.077 1.00 0.00 C ATOM 53 O GLN A 4 -8.165 5.199 -1.733 1.00 0.00 O ATOM 54 CB GLN A 4 -8.854 3.513 1.234 1.00 0.00 C ATOM 55 CG GLN A 4 -8.611 3.626 2.732 1.00 0.00 C ATOM 56 CD GLN A 4 -9.708 2.988 3.578 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.725 2.418 2.935 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 -9.638 3.010 4.807 1.00 0.00 N flip ATOM 0 H GLN A 4 -8.318 6.053 1.047 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.838 3.564 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.806 3.986 0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.945 2.460 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.658 3.156 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.524 4.679 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.843 3.456 5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.375 2.582 5.368 1.00 0.00 H new ATOM 67 N PHE A 5 -8.620 3.001 -1.577 1.00 0.00 N ATOM 68 CA PHE A 5 -9.082 2.898 -2.955 1.00 0.00 C ATOM 69 C PHE A 5 -10.339 2.044 -3.059 1.00 0.00 C ATOM 70 O PHE A 5 -10.388 0.922 -2.555 1.00 0.00 O ATOM 71 CB PHE A 5 -7.993 2.326 -3.861 1.00 0.00 C ATOM 72 CG PHE A 5 -6.813 3.237 -4.042 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.993 4.606 -4.178 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.528 2.725 -4.102 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.912 5.446 -4.371 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.444 3.561 -4.292 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.637 4.921 -4.428 1.00 0.00 C ATOM 0 H PHE A 5 -8.653 2.127 -1.051 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.321 3.908 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.648 1.379 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.424 2.107 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.989 5.020 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.371 1.661 -3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.065 6.510 -4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.446 3.150 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.790 5.574 -4.579 1.00 0.00 H new ATOM 87 N LYS A 6 -11.352 2.586 -3.731 1.00 0.00 N ATOM 88 CA LYS A 6 -12.614 1.882 -3.923 1.00 0.00 C ATOM 89 C LYS A 6 -12.815 1.537 -5.397 1.00 0.00 C ATOM 90 O LYS A 6 -13.476 0.556 -5.731 1.00 0.00 O ATOM 91 CB LYS A 6 -13.781 2.733 -3.420 1.00 0.00 C ATOM 92 CG LYS A 6 -13.710 3.050 -1.935 1.00 0.00 C ATOM 93 CD LYS A 6 -13.729 1.784 -1.094 1.00 0.00 C ATOM 94 CE LYS A 6 -13.668 2.102 0.391 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.685 0.869 1.224 1.00 0.00 N ATOM 0 H LYS A 6 -11.321 3.514 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.581 0.956 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.806 3.667 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.715 2.211 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.801 3.614 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.551 3.686 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.634 1.217 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.884 1.152 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.763 2.671 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.513 2.735 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.996 1.105 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.342 0.178 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.729 0.461 1.259 1.00 0.00 H new ATOM 109 N THR A 7 -12.236 2.350 -6.277 1.00 0.00 N ATOM 110 CA THR A 7 -12.347 2.126 -7.714 1.00 0.00 C ATOM 111 C THR A 7 -10.968 2.139 -8.365 1.00 0.00 C ATOM 112 O THR A 7 -10.158 3.029 -8.106 1.00 0.00 O ATOM 113 CB THR A 7 -13.238 3.193 -8.351 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.707 4.488 -8.130 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.657 3.182 -7.821 1.00 0.00 C ATOM 0 H THR A 7 -11.686 3.169 -6.019 1.00 0.00 H new ATOM 0 HA THR A 7 -12.799 1.148 -7.875 1.00 0.00 H new ATOM 0 HB THR A 7 -13.262 2.952 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.290 5.156 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.236 3.963 -8.314 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.112 2.212 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.645 3.363 -6.746 1.00 0.00 H new ATOM 123 N ALA A 8 -10.704 1.143 -9.205 1.00 0.00 N ATOM 124 CA ALA A 8 -9.418 1.041 -9.884 1.00 0.00 C ATOM 125 C ALA A 8 -9.107 2.299 -10.682 1.00 0.00 C ATOM 126 O ALA A 8 -7.942 2.619 -10.921 1.00 0.00 O ATOM 127 CB ALA A 8 -9.390 -0.185 -10.786 1.00 0.00 C ATOM 0 H ALA A 8 -11.362 0.397 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.646 0.934 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.423 -0.247 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.547 -1.082 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.180 -0.105 -11.533 1.00 0.00 H new ATOM 133 N SER A 9 -10.148 3.018 -11.083 1.00 0.00 N ATOM 134 CA SER A 9 -9.969 4.250 -11.839 1.00 0.00 C ATOM 135 C SER A 9 -9.151 5.260 -11.036 1.00 0.00 C ATOM 136 O SER A 9 -8.604 6.210 -11.593 1.00 0.00 O ATOM 137 CB SER A 9 -11.328 4.850 -12.206 1.00 0.00 C ATOM 138 OG SER A 9 -11.171 6.050 -12.946 1.00 0.00 O ATOM 0 H SER A 9 -11.120 2.771 -10.898 1.00 0.00 H new ATOM 0 HA SER A 9 -9.428 4.014 -12.755 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.901 4.130 -12.791 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.898 5.050 -11.299 1.00 0.00 H new ATOM 0 HG SER A 9 -12.053 6.414 -13.170 1.00 0.00 H new ATOM 144 N GLU A 10 -9.072 5.045 -9.723 1.00 0.00 N ATOM 145 CA GLU A 10 -8.324 5.932 -8.848 1.00 0.00 C ATOM 146 C GLU A 10 -6.881 5.473 -8.710 1.00 0.00 C ATOM 147 O GLU A 10 -5.949 6.161 -9.126 1.00 0.00 O ATOM 148 CB GLU A 10 -8.985 6.000 -7.469 1.00 0.00 C ATOM 149 CG GLU A 10 -10.400 6.553 -7.501 1.00 0.00 C ATOM 150 CD GLU A 10 -11.038 6.603 -6.126 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.168 5.534 -5.492 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.405 7.711 -5.680 1.00 0.00 O ATOM 0 H GLU A 10 -9.519 4.262 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.327 6.926 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.004 5.001 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.375 6.621 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.384 7.556 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.012 5.937 -8.159 1.00 0.00 H new ATOM 159 N PHE A 11 -6.716 4.305 -8.116 1.00 0.00 N ATOM 160 CA PHE A 11 -5.397 3.719 -7.900 1.00 0.00 C ATOM 161 C PHE A 11 -4.609 3.644 -9.209 1.00 0.00 C ATOM 162 O PHE A 11 -3.379 3.698 -9.211 1.00 0.00 O ATOM 163 CB PHE A 11 -5.543 2.321 -7.294 1.00 0.00 C ATOM 164 CG PHE A 11 -4.254 1.719 -6.790 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.075 2.451 -6.778 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.230 0.415 -6.320 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.902 1.893 -6.310 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.059 -0.147 -5.851 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.894 0.593 -5.848 1.00 0.00 C ATOM 0 H PHE A 11 -7.487 3.734 -7.769 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.846 4.357 -7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.254 2.369 -6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.970 1.656 -8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.075 3.469 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.139 -0.169 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.991 2.474 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.055 -1.164 -5.487 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.976 0.155 -5.484 1.00 0.00 H new ATOM 179 N ASP A 12 -5.327 3.518 -10.320 1.00 0.00 N ATOM 180 CA ASP A 12 -4.697 3.435 -11.634 1.00 0.00 C ATOM 181 C ASP A 12 -3.774 4.627 -11.875 1.00 0.00 C ATOM 182 O ASP A 12 -2.729 4.496 -12.513 1.00 0.00 O ATOM 183 CB ASP A 12 -5.764 3.370 -12.729 1.00 0.00 C ATOM 184 CG ASP A 12 -5.169 3.238 -14.119 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.926 3.182 -14.231 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.947 3.190 -15.095 1.00 0.00 O ATOM 0 H ASP A 12 -6.346 3.471 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.097 2.525 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.423 2.523 -12.538 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.379 4.269 -12.685 1.00 0.00 H new ATOM 191 N SER A 13 -4.167 5.788 -11.363 1.00 0.00 N ATOM 192 CA SER A 13 -3.376 7.003 -11.524 1.00 0.00 C ATOM 193 C SER A 13 -2.259 7.073 -10.487 1.00 0.00 C ATOM 194 O SER A 13 -1.154 7.529 -10.780 1.00 0.00 O ATOM 195 CB SER A 13 -4.272 8.236 -11.403 1.00 0.00 C ATOM 196 OG SER A 13 -4.913 8.279 -10.140 1.00 0.00 O ATOM 0 H SER A 13 -5.029 5.914 -10.833 1.00 0.00 H new ATOM 0 HA SER A 13 -2.924 6.981 -12.516 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.676 9.138 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.021 8.224 -12.194 1.00 0.00 H new ATOM 0 HG SER A 13 -5.523 7.517 -10.057 1.00 0.00 H new ATOM 202 N ALA A 14 -2.558 6.621 -9.273 1.00 0.00 N ATOM 203 CA ALA A 14 -1.585 6.634 -8.184 1.00 0.00 C ATOM 204 C ALA A 14 -0.230 6.089 -8.632 1.00 0.00 C ATOM 205 O ALA A 14 0.807 6.705 -8.389 1.00 0.00 O ATOM 206 CB ALA A 14 -2.112 5.833 -7.002 1.00 0.00 C ATOM 0 H ALA A 14 -3.469 6.240 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.439 7.670 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.379 5.849 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.046 6.273 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.289 4.803 -7.311 1.00 0.00 H new ATOM 212 N ILE A 15 -0.246 4.931 -9.283 1.00 0.00 N ATOM 213 CA ILE A 15 0.982 4.306 -9.759 1.00 0.00 C ATOM 214 C ILE A 15 1.494 4.976 -11.030 1.00 0.00 C ATOM 215 O ILE A 15 2.668 5.329 -11.119 1.00 0.00 O ATOM 216 CB ILE A 15 0.789 2.793 -10.010 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.287 2.542 -11.071 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.430 2.090 -8.709 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.593 1.075 -11.286 1.00 0.00 C ATOM 0 H ILE A 15 -1.095 4.407 -9.493 1.00 0.00 H new ATOM 0 HA ILE A 15 1.725 4.436 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 15 1.728 2.386 -10.385 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.202 3.057 -10.778 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.036 2.980 -12.015 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.296 1.025 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.232 2.233 -7.985 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.495 2.508 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.363 0.972 -12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.311 0.558 -11.610 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.947 0.637 -10.353 1.00 0.00 H new ATOM 231 N ALA A 16 0.610 5.143 -12.011 1.00 0.00 N ATOM 232 CA ALA A 16 0.973 5.756 -13.290 1.00 0.00 C ATOM 233 C ALA A 16 1.906 6.953 -13.125 1.00 0.00 C ATOM 234 O ALA A 16 1.458 8.077 -12.900 1.00 0.00 O ATOM 235 CB ALA A 16 -0.281 6.168 -14.047 1.00 0.00 C ATOM 0 H ALA A 16 -0.368 4.861 -11.945 1.00 0.00 H new ATOM 0 HA ALA A 16 1.517 5.005 -13.862 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.000 6.623 -14.997 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.898 5.289 -14.234 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.845 6.887 -13.453 1.00 0.00 H new ATOM 241 N GLN A 17 3.209 6.700 -13.254 1.00 0.00 N ATOM 242 CA GLN A 17 4.218 7.749 -13.137 1.00 0.00 C ATOM 243 C GLN A 17 3.936 8.662 -11.952 1.00 0.00 C ATOM 244 O GLN A 17 3.292 9.701 -12.101 1.00 0.00 O ATOM 245 CB GLN A 17 4.275 8.571 -14.425 1.00 0.00 C ATOM 246 CG GLN A 17 4.631 7.752 -15.655 1.00 0.00 C ATOM 247 CD GLN A 17 4.680 8.588 -16.918 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.686 9.200 -17.310 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.840 8.620 -17.563 1.00 0.00 N ATOM 0 H GLN A 17 3.590 5.772 -13.440 1.00 0.00 H new ATOM 0 HA GLN A 17 5.182 7.268 -12.971 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.308 9.049 -14.584 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.008 9.368 -14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.599 7.275 -15.502 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.899 6.954 -15.780 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.639 8.098 -17.203 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.933 9.167 -18.419 1.00 0.00 H new ATOM 258 N ASP A 18 4.421 8.276 -10.778 1.00 0.00 N ATOM 259 CA ASP A 18 4.211 9.076 -9.585 1.00 0.00 C ATOM 260 C ASP A 18 5.065 8.577 -8.422 1.00 0.00 C ATOM 261 O ASP A 18 4.606 8.533 -7.282 1.00 0.00 O ATOM 262 CB ASP A 18 2.731 9.067 -9.197 1.00 0.00 C ATOM 263 CG ASP A 18 2.372 10.200 -8.253 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.987 10.293 -7.171 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.473 10.995 -8.597 1.00 0.00 O ATOM 0 H ASP A 18 4.957 7.421 -10.630 1.00 0.00 H new ATOM 0 HA ASP A 18 4.516 10.098 -9.809 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.122 9.142 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.488 8.115 -8.726 1.00 0.00 H new ATOM 270 N LYS A 19 6.316 8.215 -8.710 1.00 0.00 N ATOM 271 CA LYS A 19 7.229 7.745 -7.680 1.00 0.00 C ATOM 272 C LYS A 19 6.776 6.397 -7.125 1.00 0.00 C ATOM 273 O LYS A 19 6.090 5.636 -7.806 1.00 0.00 O ATOM 274 CB LYS A 19 7.328 8.803 -6.576 1.00 0.00 C ATOM 275 CG LYS A 19 7.883 10.142 -7.048 1.00 0.00 C ATOM 276 CD LYS A 19 6.907 10.882 -7.950 1.00 0.00 C ATOM 277 CE LYS A 19 7.405 12.280 -8.280 1.00 0.00 C ATOM 278 NZ LYS A 19 6.459 13.014 -9.163 1.00 0.00 N ATOM 0 H LYS A 19 6.715 8.240 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 19 8.218 7.595 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.338 8.962 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.962 8.420 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.117 10.762 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.818 9.977 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.763 10.319 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.935 10.947 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.549 12.841 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.378 12.213 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.836 13.962 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.341 12.492 -10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.538 13.101 -8.688 1.00 0.00 H new ATOM 292 N LEU A 20 7.179 6.099 -5.901 1.00 0.00 N ATOM 293 CA LEU A 20 6.833 4.834 -5.269 1.00 0.00 C ATOM 294 C LEU A 20 5.638 4.990 -4.341 1.00 0.00 C ATOM 295 O LEU A 20 5.703 5.687 -3.329 1.00 0.00 O ATOM 296 CB LEU A 20 8.022 4.305 -4.466 1.00 0.00 C ATOM 297 CG LEU A 20 7.777 2.974 -3.757 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.522 1.867 -4.768 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.955 2.625 -2.860 1.00 0.00 C ATOM 0 H LEU A 20 7.748 6.717 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 20 6.574 4.129 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.873 4.191 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.300 5.051 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 20 6.889 3.074 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.350 0.927 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.645 2.115 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.389 1.764 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.764 1.674 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.860 2.544 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.086 3.406 -2.111 1.00 0.00 H new ATOM 311 N VAL A 21 4.546 4.327 -4.694 1.00 0.00 N ATOM 312 CA VAL A 21 3.329 4.372 -3.900 1.00 0.00 C ATOM 313 C VAL A 21 3.213 3.125 -3.031 1.00 0.00 C ATOM 314 O VAL A 21 3.318 2.002 -3.524 1.00 0.00 O ATOM 315 CB VAL A 21 2.080 4.486 -4.795 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.816 4.558 -3.952 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.188 5.696 -5.710 1.00 0.00 C ATOM 0 H VAL A 21 4.479 3.748 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 21 3.386 5.256 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 21 2.021 3.592 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.053 4.638 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.732 3.657 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.862 5.431 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.297 5.760 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.275 6.601 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.069 5.595 -6.344 1.00 0.00 H new ATOM 327 N VAL A 22 2.995 3.326 -1.736 1.00 0.00 N ATOM 328 CA VAL A 22 2.868 2.214 -0.806 1.00 0.00 C ATOM 329 C VAL A 22 1.403 1.923 -0.507 1.00 0.00 C ATOM 330 O VAL A 22 0.817 2.501 0.409 1.00 0.00 O ATOM 331 CB VAL A 22 3.611 2.498 0.514 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.524 1.301 1.452 1.00 0.00 C ATOM 333 CG2 VAL A 22 5.061 2.862 0.238 1.00 0.00 C ATOM 0 H VAL A 22 2.903 4.248 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 22 3.319 1.343 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 22 3.130 3.345 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.055 1.524 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.478 1.090 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.976 0.431 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.572 3.060 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.552 2.035 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.100 3.752 -0.389 1.00 0.00 H new ATOM 343 N VAL A 23 0.816 1.030 -1.295 1.00 0.00 N ATOM 344 CA VAL A 23 -0.581 0.664 -1.125 1.00 0.00 C ATOM 345 C VAL A 23 -0.715 -0.668 -0.399 1.00 0.00 C ATOM 346 O VAL A 23 -0.050 -1.646 -0.741 1.00 0.00 O ATOM 347 CB VAL A 23 -1.303 0.574 -2.481 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.785 0.297 -2.286 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.089 1.852 -3.277 1.00 0.00 C ATOM 0 H VAL A 23 1.289 0.546 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.045 1.447 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.880 -0.257 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.275 0.238 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.912 -0.648 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.232 1.102 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.605 1.775 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.486 2.700 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.023 1.999 -3.450 1.00 0.00 H new ATOM 359 N ASP A 24 -1.581 -0.697 0.606 1.00 0.00 N ATOM 360 CA ASP A 24 -1.808 -1.905 1.385 1.00 0.00 C ATOM 361 C ASP A 24 -3.110 -2.583 0.964 1.00 0.00 C ATOM 362 O ASP A 24 -4.158 -1.943 0.899 1.00 0.00 O ATOM 363 CB ASP A 24 -1.851 -1.565 2.878 1.00 0.00 C ATOM 364 CG ASP A 24 -2.033 -2.790 3.750 1.00 0.00 C ATOM 365 OD1 ASP A 24 -3.065 -3.475 3.603 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.143 -3.064 4.582 1.00 0.00 O ATOM 0 H ASP A 24 -2.138 0.105 0.900 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.985 -2.595 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.927 -1.058 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.667 -0.867 3.064 1.00 0.00 H new ATOM 371 N PHE A 25 -3.039 -3.879 0.678 1.00 0.00 N ATOM 372 CA PHE A 25 -4.200 -4.638 0.263 1.00 0.00 C ATOM 373 C PHE A 25 -4.778 -5.412 1.439 1.00 0.00 C ATOM 374 O PHE A 25 -5.003 -6.619 1.359 1.00 0.00 O ATOM 375 CB PHE A 25 -3.800 -5.599 -0.851 1.00 0.00 C ATOM 376 CG PHE A 25 -3.546 -4.940 -2.174 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.642 -3.896 -2.298 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.196 -5.396 -3.305 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.393 -3.319 -3.527 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.956 -4.822 -4.535 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.053 -3.783 -4.650 1.00 0.00 C ATOM 0 H PHE A 25 -2.178 -4.424 0.729 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.964 -3.952 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.901 -6.135 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.588 -6.342 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.126 -3.530 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.900 -6.211 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.685 -2.508 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.475 -5.185 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.863 -3.335 -5.614 1.00 0.00 H new ATOM 391 N TYR A 26 -5.016 -4.698 2.533 1.00 0.00 N ATOM 392 CA TYR A 26 -5.570 -5.298 3.738 1.00 0.00 C ATOM 393 C TYR A 26 -6.822 -6.105 3.423 1.00 0.00 C ATOM 394 O TYR A 26 -7.653 -5.690 2.619 1.00 0.00 O ATOM 395 CB TYR A 26 -5.886 -4.210 4.768 1.00 0.00 C ATOM 396 CG TYR A 26 -6.625 -3.018 4.191 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.857 -3.168 3.564 1.00 0.00 C ATOM 398 CD2 TYR A 26 -6.084 -1.740 4.267 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.526 -2.082 3.035 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.745 -0.657 3.747 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.967 -0.826 3.132 1.00 0.00 C ATOM 402 OH TYR A 26 -8.627 0.261 2.607 1.00 0.00 O ATOM 0 H TYR A 26 -4.832 -3.698 2.609 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.826 -5.978 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.484 -4.644 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.954 -3.866 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.298 -4.151 3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.126 -1.597 4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.481 -2.216 2.549 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.308 0.328 3.819 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.594 0.106 2.644 1.00 0.00 H new ATOM 412 N ALA A 27 -6.956 -7.260 4.059 1.00 0.00 N ATOM 413 CA ALA A 27 -8.118 -8.103 3.835 1.00 0.00 C ATOM 414 C ALA A 27 -9.374 -7.413 4.334 1.00 0.00 C ATOM 415 O ALA A 27 -9.359 -6.752 5.372 1.00 0.00 O ATOM 416 CB ALA A 27 -7.955 -9.445 4.529 1.00 0.00 C ATOM 0 H ALA A 27 -6.281 -7.631 4.728 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.209 -8.276 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.837 -10.058 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.073 -9.952 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.837 -9.288 5.601 1.00 0.00 H new ATOM 422 N THR A 28 -10.463 -7.574 3.599 1.00 0.00 N ATOM 423 CA THR A 28 -11.726 -6.966 3.986 1.00 0.00 C ATOM 424 C THR A 28 -12.149 -7.431 5.381 1.00 0.00 C ATOM 425 O THR A 28 -12.984 -6.805 6.033 1.00 0.00 O ATOM 426 CB THR A 28 -12.810 -7.305 2.968 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.074 -6.846 3.412 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.930 -8.787 2.687 1.00 0.00 C ATOM 0 H THR A 28 -10.498 -8.117 2.736 1.00 0.00 H new ATOM 0 HA THR A 28 -11.590 -5.885 4.011 1.00 0.00 H new ATOM 0 HB THR A 28 -12.508 -6.804 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.993 -5.923 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.720 -8.956 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.984 -9.160 2.294 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.173 -9.314 3.610 1.00 0.00 H new ATOM 436 N TRP A 29 -11.555 -8.535 5.829 1.00 0.00 N ATOM 437 CA TRP A 29 -11.846 -9.104 7.139 1.00 0.00 C ATOM 438 C TRP A 29 -10.675 -8.848 8.105 1.00 0.00 C ATOM 439 O TRP A 29 -10.221 -7.712 8.243 1.00 0.00 O ATOM 440 CB TRP A 29 -12.141 -10.607 6.993 1.00 0.00 C ATOM 441 CG TRP A 29 -11.149 -11.321 6.118 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.065 -11.247 4.757 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.089 -12.194 6.537 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.025 -12.020 4.303 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.411 -12.610 5.375 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.646 -12.667 7.777 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.317 -13.468 5.417 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.562 -13.517 7.818 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.905 -13.911 6.645 1.00 0.00 C ATOM 0 H TRP A 29 -10.861 -9.057 5.295 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.728 -8.622 7.559 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.143 -11.068 7.981 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.141 -10.736 6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.722 -10.664 4.128 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.754 -12.136 3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.146 -12.371 8.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.811 -13.774 4.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.213 -13.886 8.771 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.057 -14.577 6.711 1.00 0.00 H new ATOM 460 N CYS A 30 -10.188 -9.898 8.767 1.00 0.00 N ATOM 461 CA CYS A 30 -9.080 -9.778 9.703 1.00 0.00 C ATOM 462 C CYS A 30 -9.438 -8.845 10.857 1.00 0.00 C ATOM 463 O CYS A 30 -10.308 -7.984 10.725 1.00 0.00 O ATOM 464 CB CYS A 30 -7.837 -9.270 8.974 1.00 0.00 C ATOM 465 SG CYS A 30 -6.438 -8.878 10.052 1.00 0.00 S ATOM 0 H CYS A 30 -10.550 -10.846 8.668 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.871 -10.763 10.120 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.522 -10.023 8.252 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.103 -8.378 8.408 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.326 -9.080 9.410 1.00 0.00 H new ATOM 471 N GLY A 31 -8.759 -9.023 11.986 1.00 0.00 N ATOM 472 CA GLY A 31 -9.016 -8.188 13.145 1.00 0.00 C ATOM 473 C GLY A 31 -8.199 -6.910 13.132 1.00 0.00 C ATOM 474 O GLY A 31 -8.698 -5.858 12.729 1.00 0.00 O ATOM 0 H GLY A 31 -8.036 -9.730 12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.076 -7.937 13.180 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.791 -8.750 14.051 1.00 0.00 H new ATOM 478 N PRO A 32 -6.929 -6.968 13.569 1.00 0.00 N ATOM 479 CA PRO A 32 -6.049 -5.795 13.600 1.00 0.00 C ATOM 480 C PRO A 32 -5.588 -5.379 12.206 1.00 0.00 C ATOM 481 O PRO A 32 -4.392 -5.371 11.913 1.00 0.00 O ATOM 482 CB PRO A 32 -4.863 -6.269 14.440 1.00 0.00 C ATOM 483 CG PRO A 32 -4.821 -7.743 14.235 1.00 0.00 C ATOM 484 CD PRO A 32 -6.252 -8.181 14.067 1.00 0.00 C ATOM 0 HA PRO A 32 -6.551 -4.916 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.935 -5.797 14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.998 -6.019 15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.229 -7.998 13.356 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.358 -8.242 15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.338 -9.007 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.681 -8.521 15.010 1.00 0.00 H new ATOM 492 N CYS A 33 -6.543 -5.032 11.351 1.00 0.00 N ATOM 493 CA CYS A 33 -6.237 -4.612 9.988 1.00 0.00 C ATOM 494 C CYS A 33 -6.449 -3.108 9.817 1.00 0.00 C ATOM 495 O CYS A 33 -5.904 -2.497 8.900 1.00 0.00 O ATOM 496 CB CYS A 33 -7.109 -5.375 8.989 1.00 0.00 C ATOM 497 SG CYS A 33 -8.885 -5.121 9.216 1.00 0.00 S ATOM 0 H CYS A 33 -7.537 -5.033 11.578 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.188 -4.837 9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.836 -5.072 7.978 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.891 -6.440 9.072 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.534 -6.135 8.727 1.00 0.00 H new ATOM 503 N LYS A 34 -7.244 -2.516 10.706 1.00 0.00 N ATOM 504 CA LYS A 34 -7.524 -1.085 10.649 1.00 0.00 C ATOM 505 C LYS A 34 -6.446 -0.284 11.376 1.00 0.00 C ATOM 506 O LYS A 34 -6.236 0.894 11.085 1.00 0.00 O ATOM 507 CB LYS A 34 -8.894 -0.786 11.259 1.00 0.00 C ATOM 508 CG LYS A 34 -10.043 -1.484 10.550 1.00 0.00 C ATOM 509 CD LYS A 34 -11.379 -1.147 11.190 1.00 0.00 C ATOM 510 CE LYS A 34 -12.528 -1.855 10.490 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.382 -3.337 10.535 1.00 0.00 N ATOM 0 H LYS A 34 -7.705 -3.005 11.473 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.526 -0.786 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.889 -1.086 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.065 0.290 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.057 -1.190 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.887 -2.562 10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.362 -1.432 12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.539 -0.069 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.469 -1.569 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.577 -1.527 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.282 -3.783 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.637 -3.633 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.125 -3.631 11.499 1.00 0.00 H new ATOM 525 N MET A 35 -5.763 -0.929 12.316 1.00 0.00 N ATOM 526 CA MET A 35 -4.702 -0.272 13.077 1.00 0.00 C ATOM 527 C MET A 35 -3.551 0.145 12.163 1.00 0.00 C ATOM 528 O MET A 35 -2.675 0.911 12.567 1.00 0.00 O ATOM 529 CB MET A 35 -4.187 -1.200 14.179 1.00 0.00 C ATOM 530 CG MET A 35 -3.082 -0.587 15.024 1.00 0.00 C ATOM 531 SD MET A 35 -2.489 -1.705 16.308 1.00 0.00 S ATOM 532 CE MET A 35 -1.896 -3.074 15.319 1.00 0.00 C ATOM 0 H MET A 35 -5.923 -1.904 12.570 1.00 0.00 H new ATOM 0 HA MET A 35 -5.119 0.625 13.534 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.018 -1.476 14.828 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.818 -2.120 13.725 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.249 -0.307 14.379 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.449 0.329 15.486 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.169 -3.649 15.893 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.734 -3.716 15.047 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.423 -2.691 14.414 1.00 0.00 H new ATOM 542 N ILE A 36 -3.556 -0.362 10.933 1.00 0.00 N ATOM 543 CA ILE A 36 -2.521 -0.045 9.963 1.00 0.00 C ATOM 544 C ILE A 36 -2.787 1.292 9.270 1.00 0.00 C ATOM 545 O ILE A 36 -1.854 1.992 8.878 1.00 0.00 O ATOM 546 CB ILE A 36 -2.407 -1.160 8.908 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.979 -2.471 9.567 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.431 -0.766 7.816 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.046 -3.093 10.439 1.00 0.00 C ATOM 0 H ILE A 36 -4.273 -0.999 10.586 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.581 0.034 10.509 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.386 -1.306 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.698 -3.182 8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.090 -2.290 10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.365 -1.568 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.778 0.145 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.447 -0.592 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.668 -4.019 10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.311 -2.401 11.238 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.929 -3.307 9.837 1.00 0.00 H new ATOM 561 N ALA A 37 -4.060 1.647 9.127 1.00 0.00 N ATOM 562 CA ALA A 37 -4.439 2.904 8.483 1.00 0.00 C ATOM 563 C ALA A 37 -3.666 4.093 9.053 1.00 0.00 C ATOM 564 O ALA A 37 -3.158 4.922 8.297 1.00 0.00 O ATOM 565 CB ALA A 37 -5.937 3.133 8.615 1.00 0.00 C ATOM 0 H ALA A 37 -4.848 1.084 9.448 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.181 2.823 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.206 4.072 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.474 2.313 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.207 3.178 9.670 1.00 0.00 H new ATOM 571 N PRO A 38 -3.549 4.199 10.389 1.00 0.00 N ATOM 572 CA PRO A 38 -2.815 5.296 11.010 1.00 0.00 C ATOM 573 C PRO A 38 -1.321 5.150 10.781 1.00 0.00 C ATOM 574 O PRO A 38 -0.623 6.134 10.540 1.00 0.00 O ATOM 575 CB PRO A 38 -3.162 5.185 12.495 1.00 0.00 C ATOM 576 CG PRO A 38 -3.567 3.767 12.703 1.00 0.00 C ATOM 577 CD PRO A 38 -4.095 3.259 11.385 1.00 0.00 C ATOM 0 HA PRO A 38 -3.083 6.267 10.594 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.306 5.444 13.119 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.969 5.867 12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.718 3.169 13.034 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.330 3.694 13.478 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.766 2.238 11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.185 3.251 11.369 1.00 0.00 H new ATOM 585 N MET A 39 -0.836 3.911 10.822 1.00 0.00 N ATOM 586 CA MET A 39 0.556 3.642 10.585 1.00 0.00 C ATOM 587 C MET A 39 0.912 4.027 9.156 1.00 0.00 C ATOM 588 O MET A 39 1.808 4.835 8.928 1.00 0.00 O ATOM 589 CB MET A 39 0.839 2.167 10.839 1.00 0.00 C ATOM 590 CG MET A 39 0.703 1.763 12.289 1.00 0.00 C ATOM 591 SD MET A 39 1.397 0.135 12.635 1.00 0.00 S ATOM 592 CE MET A 39 0.436 -0.891 11.527 1.00 0.00 C ATOM 0 H MET A 39 -1.399 3.084 11.019 1.00 0.00 H new ATOM 0 HA MET A 39 1.170 4.233 11.264 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.156 1.566 10.238 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.849 1.936 10.500 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.200 2.504 12.915 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.352 1.768 12.565 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.833 -1.906 11.535 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.604 -0.906 11.854 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.492 -0.487 10.516 1.00 0.00 H new ATOM 602 N ILE A 40 0.174 3.469 8.194 1.00 0.00 N ATOM 603 CA ILE A 40 0.387 3.780 6.781 1.00 0.00 C ATOM 604 C ILE A 40 0.558 5.287 6.583 1.00 0.00 C ATOM 605 O ILE A 40 1.243 5.733 5.663 1.00 0.00 O ATOM 606 CB ILE A 40 -0.795 3.280 5.907 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.868 1.751 5.914 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.669 3.796 4.478 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.983 1.189 5.047 1.00 0.00 C ATOM 0 H ILE A 40 -0.576 2.800 8.369 1.00 0.00 H new ATOM 0 HA ILE A 40 1.295 3.265 6.468 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.717 3.672 6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.085 1.349 5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.008 1.407 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.508 3.433 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.673 4.886 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.264 3.439 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.973 0.100 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.944 1.561 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.833 1.502 4.014 1.00 0.00 H new ATOM 621 N GLU A 41 -0.071 6.061 7.463 1.00 0.00 N ATOM 622 CA GLU A 41 0.001 7.514 7.405 1.00 0.00 C ATOM 623 C GLU A 41 1.288 8.029 8.048 1.00 0.00 C ATOM 624 O GLU A 41 1.911 8.965 7.547 1.00 0.00 O ATOM 625 CB GLU A 41 -1.213 8.117 8.113 1.00 0.00 C ATOM 626 CG GLU A 41 -1.218 9.638 8.135 1.00 0.00 C ATOM 627 CD GLU A 41 -2.432 10.208 8.841 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.564 9.932 8.392 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.250 10.929 9.844 1.00 0.00 O ATOM 0 H GLU A 41 -0.640 5.701 8.229 1.00 0.00 H new ATOM 0 HA GLU A 41 0.002 7.816 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.120 7.767 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.244 7.748 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.314 9.993 8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.189 10.012 7.112 1.00 0.00 H new ATOM 636 N LYS A 42 1.673 7.418 9.164 1.00 0.00 N ATOM 637 CA LYS A 42 2.879 7.821 9.882 1.00 0.00 C ATOM 638 C LYS A 42 4.124 7.689 9.009 1.00 0.00 C ATOM 639 O LYS A 42 5.103 8.408 9.200 1.00 0.00 O ATOM 640 CB LYS A 42 3.047 6.987 11.154 1.00 0.00 C ATOM 641 CG LYS A 42 1.949 7.214 12.179 1.00 0.00 C ATOM 642 CD LYS A 42 2.148 6.344 13.410 1.00 0.00 C ATOM 643 CE LYS A 42 3.470 6.641 14.100 1.00 0.00 C ATOM 644 NZ LYS A 42 3.661 5.807 15.319 1.00 0.00 N ATOM 0 H LYS A 42 1.168 6.642 9.591 1.00 0.00 H new ATOM 0 HA LYS A 42 2.764 8.871 10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.069 5.931 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.010 7.221 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.935 8.264 12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.980 6.995 11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.328 6.509 14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.116 5.293 13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.290 6.461 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.508 7.696 14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.574 6.040 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.892 5.997 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.650 4.801 15.056 1.00 0.00 H new ATOM 658 N PHE A 43 4.087 6.767 8.051 1.00 0.00 N ATOM 659 CA PHE A 43 5.225 6.557 7.162 1.00 0.00 C ATOM 660 C PHE A 43 5.290 7.628 6.080 1.00 0.00 C ATOM 661 O PHE A 43 6.352 7.881 5.511 1.00 0.00 O ATOM 662 CB PHE A 43 5.172 5.168 6.525 1.00 0.00 C ATOM 663 CG PHE A 43 5.403 4.048 7.498 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.512 3.820 8.532 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.512 3.226 7.378 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.720 2.791 9.431 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.728 2.197 8.275 1.00 0.00 C ATOM 668 CZ PHE A 43 5.829 1.978 9.301 1.00 0.00 C ATOM 0 H PHE A 43 3.289 6.158 7.871 1.00 0.00 H new ATOM 0 HA PHE A 43 6.128 6.629 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.199 5.032 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.921 5.111 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.644 4.454 8.638 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.215 3.391 6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.017 2.623 10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.598 1.565 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.993 1.172 10.001 1.00 0.00 H new ATOM 678 N SER A 44 4.156 8.259 5.803 1.00 0.00 N ATOM 679 CA SER A 44 4.099 9.307 4.792 1.00 0.00 C ATOM 680 C SER A 44 4.905 10.534 5.221 1.00 0.00 C ATOM 681 O SER A 44 5.146 11.437 4.419 1.00 0.00 O ATOM 682 CB SER A 44 2.648 9.705 4.519 1.00 0.00 C ATOM 683 OG SER A 44 2.574 10.719 3.532 1.00 0.00 O ATOM 0 H SER A 44 3.266 8.064 6.262 1.00 0.00 H new ATOM 0 HA SER A 44 4.539 8.912 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.084 8.832 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.184 10.056 5.441 1.00 0.00 H new ATOM 0 HG SER A 44 3.444 11.164 3.454 1.00 0.00 H new ATOM 689 N GLU A 45 5.318 10.566 6.487 1.00 0.00 N ATOM 690 CA GLU A 45 6.093 11.686 7.008 1.00 0.00 C ATOM 691 C GLU A 45 7.587 11.478 6.771 1.00 0.00 C ATOM 692 O GLU A 45 8.349 12.441 6.688 1.00 0.00 O ATOM 693 CB GLU A 45 5.825 11.864 8.505 1.00 0.00 C ATOM 694 CG GLU A 45 4.361 12.104 8.840 1.00 0.00 C ATOM 695 CD GLU A 45 3.812 13.365 8.201 1.00 0.00 C ATOM 696 OE1 GLU A 45 3.808 13.447 6.955 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.388 14.272 8.948 1.00 0.00 O ATOM 0 H GLU A 45 5.129 9.830 7.168 1.00 0.00 H new ATOM 0 HA GLU A 45 5.782 12.586 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.169 10.976 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.415 12.703 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.772 11.248 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.247 12.171 9.922 1.00 0.00 H new ATOM 704 N GLN A 46 8.001 10.219 6.668 1.00 0.00 N ATOM 705 CA GLN A 46 9.405 9.893 6.444 1.00 0.00 C ATOM 706 C GLN A 46 9.722 9.815 4.955 1.00 0.00 C ATOM 707 O GLN A 46 10.833 10.132 4.530 1.00 0.00 O ATOM 708 CB GLN A 46 9.757 8.571 7.122 1.00 0.00 C ATOM 709 CG GLN A 46 9.554 8.594 8.626 1.00 0.00 C ATOM 710 CD GLN A 46 9.910 7.276 9.286 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.048 6.814 9.201 1.00 0.00 O ATOM 712 NE2 GLN A 46 8.936 6.663 9.947 1.00 0.00 N ATOM 0 H GLN A 46 7.385 9.409 6.736 1.00 0.00 H new ATOM 0 HA GLN A 46 10.007 10.690 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.147 7.777 6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.797 8.326 6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.163 9.388 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.514 8.835 8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.007 7.083 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.116 5.772 10.410 1.00 0.00 H new ATOM 721 N TYR A 47 8.738 9.397 4.165 1.00 0.00 N ATOM 722 CA TYR A 47 8.913 9.284 2.721 1.00 0.00 C ATOM 723 C TYR A 47 7.849 10.096 1.989 1.00 0.00 C ATOM 724 O TYR A 47 7.156 9.586 1.108 1.00 0.00 O ATOM 725 CB TYR A 47 8.843 7.820 2.303 1.00 0.00 C ATOM 726 CG TYR A 47 9.862 6.949 2.998 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.168 6.864 2.534 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.514 6.221 4.125 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.101 6.069 3.174 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.440 5.423 4.772 1.00 0.00 C ATOM 731 CZ TYR A 47 11.730 5.350 4.291 1.00 0.00 C ATOM 732 OH TYR A 47 12.656 4.558 4.932 1.00 0.00 O ATOM 0 H TYR A 47 7.812 9.131 4.500 1.00 0.00 H new ATOM 0 HA TYR A 47 9.892 9.682 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.844 7.437 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.991 7.750 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.460 7.427 1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.504 6.278 4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.113 6.011 2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.154 4.861 5.649 1.00 0.00 H new ATOM 0 HH TYR A 47 12.302 3.649 5.023 1.00 0.00 H new ATOM 742 N PRO A 48 7.703 11.377 2.361 1.00 0.00 N ATOM 743 CA PRO A 48 6.717 12.275 1.759 1.00 0.00 C ATOM 744 C PRO A 48 6.752 12.242 0.237 1.00 0.00 C ATOM 745 O PRO A 48 5.752 12.523 -0.424 1.00 0.00 O ATOM 746 CB PRO A 48 7.099 13.668 2.286 1.00 0.00 C ATOM 747 CG PRO A 48 8.378 13.496 3.043 1.00 0.00 C ATOM 748 CD PRO A 48 8.482 12.042 3.408 1.00 0.00 C ATOM 0 HA PRO A 48 5.700 11.984 2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.226 14.373 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.316 14.067 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.230 13.803 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.383 14.119 3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.518 11.702 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.074 11.846 4.399 1.00 0.00 H new ATOM 756 N GLN A 49 7.902 11.884 -0.315 1.00 0.00 N ATOM 757 CA GLN A 49 8.060 11.798 -1.761 1.00 0.00 C ATOM 758 C GLN A 49 7.186 10.683 -2.321 1.00 0.00 C ATOM 759 O GLN A 49 6.700 10.763 -3.449 1.00 0.00 O ATOM 760 CB GLN A 49 9.524 11.548 -2.129 1.00 0.00 C ATOM 761 CG GLN A 49 10.461 12.674 -1.713 1.00 0.00 C ATOM 762 CD GLN A 49 10.193 13.994 -2.428 1.00 0.00 C ATOM 763 OE1 GLN A 49 9.320 13.986 -3.435 1.00 0.00 O flip ATOM 764 NE2 GLN A 49 10.783 15.019 -2.084 1.00 0.00 N flip ATOM 0 H GLN A 49 8.740 11.648 0.216 1.00 0.00 H new ATOM 0 HA GLN A 49 7.748 12.747 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.854 10.621 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.599 11.404 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.372 12.829 -0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.489 12.369 -1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.445 14.990 -1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.609 15.896 -2.574 1.00 0.00 H new ATOM 773 N ALA A 50 6.990 9.643 -1.517 1.00 0.00 N ATOM 774 CA ALA A 50 6.174 8.505 -1.915 1.00 0.00 C ATOM 775 C ALA A 50 4.748 8.652 -1.397 1.00 0.00 C ATOM 776 O ALA A 50 4.527 9.168 -0.302 1.00 0.00 O ATOM 777 CB ALA A 50 6.792 7.213 -1.403 1.00 0.00 C ATOM 0 H ALA A 50 7.388 9.566 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 50 6.138 8.472 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.173 6.368 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.793 7.098 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.854 7.245 -0.315 1.00 0.00 H new ATOM 783 N ASP A 51 3.783 8.193 -2.187 1.00 0.00 N ATOM 784 CA ASP A 51 2.380 8.276 -1.801 1.00 0.00 C ATOM 785 C ASP A 51 1.958 7.030 -1.033 1.00 0.00 C ATOM 786 O ASP A 51 2.200 5.907 -1.474 1.00 0.00 O ATOM 787 CB ASP A 51 1.493 8.453 -3.034 1.00 0.00 C ATOM 788 CG ASP A 51 1.799 9.732 -3.785 1.00 0.00 C ATOM 789 OD1 ASP A 51 1.670 10.819 -3.185 1.00 0.00 O ATOM 790 OD2 ASP A 51 2.168 9.647 -4.974 1.00 0.00 O ATOM 0 H ASP A 51 3.947 7.761 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 51 2.259 9.144 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.628 7.602 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.447 8.455 -2.729 1.00 0.00 H new ATOM 795 N PHE A 52 1.327 7.235 0.118 1.00 0.00 N ATOM 796 CA PHE A 52 0.876 6.124 0.944 1.00 0.00 C ATOM 797 C PHE A 52 -0.632 5.937 0.848 1.00 0.00 C ATOM 798 O PHE A 52 -1.393 6.522 1.617 1.00 0.00 O ATOM 799 CB PHE A 52 1.287 6.338 2.399 1.00 0.00 C ATOM 800 CG PHE A 52 2.771 6.277 2.605 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.603 7.214 2.017 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.335 5.278 3.380 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.971 7.155 2.197 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.701 5.212 3.564 1.00 0.00 C ATOM 805 CZ PHE A 52 5.520 6.153 2.972 1.00 0.00 C ATOM 0 H PHE A 52 1.117 8.158 0.498 1.00 0.00 H new ATOM 0 HA PHE A 52 1.354 5.218 0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.919 7.307 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.808 5.582 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.178 8.000 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.698 4.541 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.610 7.891 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.128 4.426 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.589 6.105 3.115 1.00 0.00 H new ATOM 815 N TYR A 53 -1.050 5.105 -0.097 1.00 0.00 N ATOM 816 CA TYR A 53 -2.464 4.820 -0.297 1.00 0.00 C ATOM 817 C TYR A 53 -2.833 3.479 0.326 1.00 0.00 C ATOM 818 O TYR A 53 -1.995 2.814 0.932 1.00 0.00 O ATOM 819 CB TYR A 53 -2.799 4.816 -1.788 1.00 0.00 C ATOM 820 CG TYR A 53 -2.899 6.197 -2.396 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.957 7.038 -2.078 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.942 6.656 -3.291 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.060 8.298 -2.635 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.035 7.916 -3.851 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.097 8.733 -3.520 1.00 0.00 C ATOM 826 OH TYR A 53 -3.195 9.988 -4.077 1.00 0.00 O ATOM 0 H TYR A 53 -0.427 4.614 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.044 5.602 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.035 4.249 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.745 4.295 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.712 6.701 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.111 6.018 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.891 8.939 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.281 8.259 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.436 10.139 -4.678 1.00 0.00 H new ATOM 836 N LYS A 54 -4.093 3.091 0.174 1.00 0.00 N ATOM 837 CA LYS A 54 -4.572 1.831 0.724 1.00 0.00 C ATOM 838 C LYS A 54 -5.558 1.170 -0.239 1.00 0.00 C ATOM 839 O LYS A 54 -6.362 1.847 -0.880 1.00 0.00 O ATOM 840 CB LYS A 54 -5.231 2.066 2.082 1.00 0.00 C ATOM 841 CG LYS A 54 -4.325 2.767 3.085 1.00 0.00 C ATOM 842 CD LYS A 54 -5.108 3.407 4.226 1.00 0.00 C ATOM 843 CE LYS A 54 -5.996 2.408 4.953 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.230 1.239 5.470 1.00 0.00 N ATOM 0 H LYS A 54 -4.800 3.631 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.721 1.163 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.133 2.662 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.544 1.107 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.615 2.048 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.744 3.533 2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.411 3.853 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.723 4.216 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.496 2.907 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.775 2.058 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.850 0.405 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.423 1.047 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.881 1.448 6.427 1.00 0.00 H new ATOM 858 N LEU A 55 -5.477 -0.152 -0.348 1.00 0.00 N ATOM 859 CA LEU A 55 -6.349 -0.900 -1.247 1.00 0.00 C ATOM 860 C LEU A 55 -7.436 -1.643 -0.474 1.00 0.00 C ATOM 861 O LEU A 55 -7.203 -2.129 0.633 1.00 0.00 O ATOM 862 CB LEU A 55 -5.515 -1.881 -2.080 1.00 0.00 C ATOM 863 CG LEU A 55 -6.252 -2.555 -3.242 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.273 -3.559 -2.728 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.925 -1.511 -4.120 1.00 0.00 C ATOM 0 H LEU A 55 -4.817 -0.727 0.175 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.844 -0.194 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.653 -1.348 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.131 -2.657 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.520 -3.095 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.783 -4.024 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.766 -4.326 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.003 -3.047 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.444 -2.006 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.642 -0.944 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.172 -0.834 -4.523 1.00 0.00 H new ATOM 877 N ASP A 56 -8.626 -1.721 -1.068 1.00 0.00 N ATOM 878 CA ASP A 56 -9.753 -2.397 -0.438 1.00 0.00 C ATOM 879 C ASP A 56 -9.935 -3.804 -1.003 1.00 0.00 C ATOM 880 O ASP A 56 -10.248 -3.973 -2.181 1.00 0.00 O ATOM 881 CB ASP A 56 -11.043 -1.593 -0.646 1.00 0.00 C ATOM 882 CG ASP A 56 -12.141 -2.003 0.315 1.00 0.00 C ATOM 883 OD1 ASP A 56 -11.908 -1.945 1.541 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.236 -2.371 -0.155 1.00 0.00 O ATOM 0 H ASP A 56 -8.832 -1.324 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.541 -2.473 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.831 -0.531 -0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.391 -1.728 -1.670 1.00 0.00 H new ATOM 889 N VAL A 57 -9.750 -4.811 -0.153 1.00 0.00 N ATOM 890 CA VAL A 57 -9.909 -6.202 -0.571 1.00 0.00 C ATOM 891 C VAL A 57 -11.391 -6.575 -0.678 1.00 0.00 C ATOM 892 O VAL A 57 -11.734 -7.678 -1.104 1.00 0.00 O ATOM 893 CB VAL A 57 -9.177 -7.162 0.397 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.493 -8.623 0.084 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.675 -6.923 0.322 1.00 0.00 C ATOM 0 H VAL A 57 -9.491 -4.691 0.826 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.457 -6.305 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.529 -6.956 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.962 -9.268 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.566 -8.791 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.177 -8.854 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.164 -7.601 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.328 -7.104 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.456 -5.893 0.602 1.00 0.00 H new ATOM 905 N ASP A 58 -12.267 -5.641 -0.307 1.00 0.00 N ATOM 906 CA ASP A 58 -13.706 -5.864 -0.382 1.00 0.00 C ATOM 907 C ASP A 58 -14.261 -5.287 -1.677 1.00 0.00 C ATOM 908 O ASP A 58 -14.985 -5.954 -2.414 1.00 0.00 O ATOM 909 CB ASP A 58 -14.414 -5.204 0.806 1.00 0.00 C ATOM 910 CG ASP A 58 -15.901 -5.497 0.828 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.270 -6.688 0.906 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.696 -4.537 0.768 1.00 0.00 O ATOM 0 H ASP A 58 -12.002 -4.722 0.049 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.885 -6.939 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.964 -5.555 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.259 -4.126 0.764 1.00 0.00 H new ATOM 917 N GLU A 59 -13.909 -4.033 -1.939 1.00 0.00 N ATOM 918 CA GLU A 59 -14.360 -3.340 -3.136 1.00 0.00 C ATOM 919 C GLU A 59 -13.487 -3.708 -4.332 1.00 0.00 C ATOM 920 O GLU A 59 -13.985 -3.905 -5.440 1.00 0.00 O ATOM 921 CB GLU A 59 -14.329 -1.827 -2.905 1.00 0.00 C ATOM 922 CG GLU A 59 -14.898 -1.024 -4.063 1.00 0.00 C ATOM 923 CD GLU A 59 -16.383 -1.259 -4.263 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.773 -2.415 -4.529 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.157 -0.285 -4.153 1.00 0.00 O ATOM 0 H GLU A 59 -13.309 -3.474 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.383 -3.647 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.892 -1.594 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.299 -1.516 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.723 0.037 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.366 -1.286 -4.978 1.00 0.00 H new ATOM 932 N LEU A 60 -12.182 -3.807 -4.096 1.00 0.00 N ATOM 933 CA LEU A 60 -11.238 -4.160 -5.149 1.00 0.00 C ATOM 934 C LEU A 60 -10.645 -5.542 -4.895 1.00 0.00 C ATOM 935 O LEU A 60 -9.442 -5.752 -5.043 1.00 0.00 O ATOM 936 CB LEU A 60 -10.115 -3.122 -5.243 1.00 0.00 C ATOM 937 CG LEU A 60 -10.563 -1.706 -5.608 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.449 -1.128 -4.518 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.357 -0.811 -5.847 1.00 0.00 C ATOM 0 H LEU A 60 -11.755 -3.647 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.780 -4.175 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.595 -3.085 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.392 -3.459 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.143 -1.756 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.757 -0.120 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.331 -1.756 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.895 -1.092 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.694 0.193 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.751 -0.768 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.760 -1.215 -6.665 1.00 0.00 H new ATOM 951 N GLY A 61 -11.502 -6.484 -4.508 1.00 0.00 N ATOM 952 CA GLY A 61 -11.049 -7.835 -4.235 1.00 0.00 C ATOM 953 C GLY A 61 -10.248 -8.428 -5.379 1.00 0.00 C ATOM 954 O GLY A 61 -9.442 -9.335 -5.175 1.00 0.00 O ATOM 0 H GLY A 61 -12.503 -6.334 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.438 -7.833 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.912 -8.469 -4.035 1.00 0.00 H new ATOM 958 N ASP A 62 -10.471 -7.916 -6.585 1.00 0.00 N ATOM 959 CA ASP A 62 -9.762 -8.403 -7.761 1.00 0.00 C ATOM 960 C ASP A 62 -8.298 -7.982 -7.737 1.00 0.00 C ATOM 961 O ASP A 62 -7.406 -8.807 -7.911 1.00 0.00 O ATOM 962 CB ASP A 62 -10.429 -7.900 -9.030 1.00 0.00 C ATOM 963 CG ASP A 62 -11.867 -8.362 -9.155 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.095 -9.590 -9.189 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.765 -7.497 -9.219 1.00 0.00 O ATOM 0 H ASP A 62 -11.136 -7.166 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.803 -9.492 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.399 -6.811 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.863 -8.246 -9.895 1.00 0.00 H new ATOM 970 N VAL A 63 -8.045 -6.698 -7.509 1.00 0.00 N ATOM 971 CA VAL A 63 -6.675 -6.203 -7.457 1.00 0.00 C ATOM 972 C VAL A 63 -5.873 -6.973 -6.404 1.00 0.00 C ATOM 973 O VAL A 63 -4.649 -7.078 -6.487 1.00 0.00 O ATOM 974 CB VAL A 63 -6.625 -4.691 -7.156 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.218 -4.150 -7.356 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.621 -3.942 -8.029 1.00 0.00 C ATOM 0 H VAL A 63 -8.762 -5.988 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.230 -6.363 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.901 -4.538 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.205 -3.082 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.531 -4.666 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.908 -4.314 -8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.573 -2.877 -7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.377 -4.102 -9.079 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.628 -4.310 -7.830 1.00 0.00 H new ATOM 986 N ALA A 64 -6.583 -7.542 -5.431 1.00 0.00 N ATOM 987 CA ALA A 64 -5.955 -8.342 -4.385 1.00 0.00 C ATOM 988 C ALA A 64 -5.679 -9.744 -4.918 1.00 0.00 C ATOM 989 O ALA A 64 -4.782 -10.436 -4.442 1.00 0.00 O ATOM 990 CB ALA A 64 -6.852 -8.406 -3.158 1.00 0.00 C ATOM 0 H ALA A 64 -7.596 -7.462 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.013 -7.878 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.370 -9.006 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.024 -7.398 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.806 -8.860 -3.428 1.00 0.00 H new ATOM 996 N GLN A 65 -6.460 -10.153 -5.920 1.00 0.00 N ATOM 997 CA GLN A 65 -6.303 -11.465 -6.532 1.00 0.00 C ATOM 998 C GLN A 65 -5.325 -11.389 -7.704 1.00 0.00 C ATOM 999 O GLN A 65 -4.563 -12.323 -7.955 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.664 -12.010 -7.001 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.009 -11.700 -8.454 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.332 -12.308 -8.880 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.247 -11.469 -9.349 1.00 0.00 O flip ATOM 1004 NE2 GLN A 65 -9.527 -13.521 -8.791 1.00 0.00 N flip ATOM 0 H GLN A 65 -7.209 -9.589 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.899 -12.149 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.674 -13.091 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.445 -11.599 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.048 -10.619 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.216 -12.075 -9.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.795 -14.130 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.420 -13.917 -9.084 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.359 -10.266 -8.422 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.483 -10.063 -9.572 1.00 0.00 C ATOM 1015 C LYS A 66 -3.020 -10.190 -9.156 1.00 0.00 C ATOM 1016 O LYS A 66 -2.240 -10.898 -9.793 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.739 -8.688 -10.213 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.142 -7.519 -9.447 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.421 -6.195 -10.141 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.806 -6.152 -11.531 1.00 0.00 C ATOM 1021 NZ LYS A 66 -4.049 -4.847 -12.205 1.00 0.00 N ATOM 0 H LYS A 66 -5.984 -9.484 -8.226 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.703 -10.834 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.332 -8.690 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.815 -8.537 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.554 -7.496 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.066 -7.659 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.498 -6.041 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.022 -5.377 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.733 -6.329 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.222 -6.957 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.614 -4.858 -13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.073 -4.689 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.630 -4.081 -11.640 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.658 -9.504 -8.075 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.306 -9.536 -7.561 1.00 0.00 C ATOM 1037 C ASN A 67 -1.101 -10.730 -6.630 1.00 0.00 C ATOM 1038 O ASN A 67 -0.025 -10.903 -6.060 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.028 -8.237 -6.814 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.057 -7.026 -7.725 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.281 -6.931 -8.675 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -1.958 -6.093 -7.440 1.00 0.00 N ATOM 0 H ASN A 67 -3.295 -8.915 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.613 -9.640 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.768 -8.111 -6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.053 -8.301 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.026 -5.256 -8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.582 -6.213 -6.642 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.140 -11.549 -6.478 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.074 -12.722 -5.617 1.00 0.00 C ATOM 1051 C GLU A 68 -1.866 -12.318 -4.163 1.00 0.00 C ATOM 1052 O GLU A 68 -1.123 -12.970 -3.428 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.945 -13.652 -6.068 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.097 -14.145 -7.498 1.00 0.00 C ATOM 1055 CD GLU A 68 0.036 -15.058 -7.923 1.00 0.00 C ATOM 1056 OE1 GLU A 68 1.200 -14.607 -7.905 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.241 -16.225 -8.274 1.00 0.00 O ATOM 0 H GLU A 68 -3.039 -11.419 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.023 -13.252 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.006 -13.128 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.904 -14.511 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.044 -14.677 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.141 -13.289 -8.171 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.524 -11.237 -3.747 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.403 -10.758 -2.379 1.00 0.00 C ATOM 1066 C VAL A 69 -3.736 -10.832 -1.644 1.00 0.00 C ATOM 1067 O VAL A 69 -4.589 -9.958 -1.793 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.894 -9.306 -2.331 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.684 -8.866 -0.889 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.611 -9.162 -3.136 1.00 0.00 C ATOM 0 H VAL A 69 -3.143 -10.681 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.681 -11.409 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.647 -8.658 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.324 -7.837 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.628 -8.929 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.949 -9.516 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.267 -8.129 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.154 -9.818 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.800 -9.436 -4.174 1.00 0.00 H new ATOM 1080 N SER A 70 -3.901 -11.873 -0.837 1.00 0.00 N ATOM 1081 CA SER A 70 -5.123 -12.050 -0.063 1.00 0.00 C ATOM 1082 C SER A 70 -4.816 -12.118 1.430 1.00 0.00 C ATOM 1083 O SER A 70 -5.672 -12.493 2.231 1.00 0.00 O ATOM 1084 CB SER A 70 -5.861 -13.303 -0.504 1.00 0.00 C ATOM 1085 OG SER A 70 -6.191 -13.246 -1.880 1.00 0.00 O ATOM 0 H SER A 70 -3.205 -12.606 -0.702 1.00 0.00 H new ATOM 0 HA SER A 70 -5.763 -11.187 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.242 -14.179 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.770 -13.419 0.086 1.00 0.00 H new ATOM 0 HG SER A 70 -6.663 -14.065 -2.137 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.592 -11.743 1.801 1.00 0.00 N ATOM 1092 CA ALA A 71 -3.180 -11.753 3.200 1.00 0.00 C ATOM 1093 C ALA A 71 -4.061 -10.811 4.012 1.00 0.00 C ATOM 1094 O ALA A 71 -5.176 -10.500 3.601 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.715 -11.363 3.320 1.00 0.00 C ATOM 0 H ALA A 71 -2.871 -11.429 1.151 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.298 -12.761 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.420 -11.374 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.103 -12.073 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.570 -10.362 2.913 1.00 0.00 H new ATOM 1101 N MET A 72 -3.572 -10.355 5.161 1.00 0.00 N ATOM 1102 CA MET A 72 -4.359 -9.454 5.989 1.00 0.00 C ATOM 1103 C MET A 72 -3.547 -8.843 7.133 1.00 0.00 C ATOM 1104 O MET A 72 -3.514 -9.385 8.236 1.00 0.00 O ATOM 1105 CB MET A 72 -5.582 -10.185 6.548 1.00 0.00 C ATOM 1106 CG MET A 72 -5.253 -11.358 7.456 1.00 0.00 C ATOM 1107 SD MET A 72 -4.496 -12.744 6.585 1.00 0.00 S ATOM 1108 CE MET A 72 -4.255 -13.899 7.931 1.00 0.00 C ATOM 0 H MET A 72 -2.652 -10.590 5.533 1.00 0.00 H new ATOM 0 HA MET A 72 -4.680 -8.632 5.349 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.193 -9.473 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.187 -10.544 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.579 -11.021 8.244 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.167 -11.699 7.943 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.793 -14.810 7.550 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.606 -13.451 8.683 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.218 -14.141 8.380 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.876 -7.699 6.896 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.860 -6.992 5.618 1.00 0.00 C ATOM 1120 C PRO A 73 -1.633 -7.330 4.769 1.00 0.00 C ATOM 1121 O PRO A 73 -0.932 -8.304 5.036 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.795 -5.548 6.083 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.922 -5.598 7.294 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.064 -6.985 7.887 1.00 0.00 C ATOM 0 HA PRO A 73 -3.708 -7.242 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.375 -4.900 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.786 -5.160 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.884 -5.396 7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.220 -4.838 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.094 -7.462 8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.552 -6.957 8.861 1.00 0.00 H new ATOM 1132 N THR A 74 -1.376 -6.506 3.750 1.00 0.00 N ATOM 1133 CA THR A 74 -0.226 -6.707 2.869 1.00 0.00 C ATOM 1134 C THR A 74 0.277 -5.372 2.325 1.00 0.00 C ATOM 1135 O THR A 74 -0.484 -4.414 2.217 1.00 0.00 O ATOM 1136 CB THR A 74 -0.591 -7.624 1.701 1.00 0.00 C ATOM 1137 OG1 THR A 74 -1.172 -8.828 2.166 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.600 -7.992 0.839 1.00 0.00 C ATOM 0 H THR A 74 -1.949 -5.695 3.516 1.00 0.00 H new ATOM 0 HA THR A 74 0.564 -7.175 3.457 1.00 0.00 H new ATOM 0 HB THR A 74 -1.298 -7.055 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.134 -8.820 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.275 -8.644 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.041 -7.087 0.422 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.342 -8.511 1.446 1.00 0.00 H new ATOM 1146 N LEU A 75 1.561 -5.318 1.979 1.00 0.00 N ATOM 1147 CA LEU A 75 2.157 -4.099 1.443 1.00 0.00 C ATOM 1148 C LEU A 75 2.592 -4.288 -0.009 1.00 0.00 C ATOM 1149 O LEU A 75 3.339 -5.212 -0.328 1.00 0.00 O ATOM 1150 CB LEU A 75 3.360 -3.685 2.287 1.00 0.00 C ATOM 1151 CG LEU A 75 3.053 -3.372 3.751 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.319 -2.954 4.475 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.992 -2.286 3.853 1.00 0.00 C ATOM 0 H LEU A 75 2.207 -6.103 2.060 1.00 0.00 H new ATOM 0 HA LEU A 75 1.400 -3.315 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.101 -4.484 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.817 -2.806 1.833 1.00 0.00 H new ATOM 0 HG LEU A 75 2.665 -4.273 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.086 -2.734 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.048 -3.763 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.733 -2.065 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.786 -2.076 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.351 -1.380 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.078 -2.623 3.364 1.00 0.00 H new ATOM 1165 N LEU A 76 2.129 -3.397 -0.883 1.00 0.00 N ATOM 1166 CA LEU A 76 2.478 -3.460 -2.300 1.00 0.00 C ATOM 1167 C LEU A 76 3.157 -2.169 -2.755 1.00 0.00 C ATOM 1168 O LEU A 76 2.644 -1.072 -2.526 1.00 0.00 O ATOM 1169 CB LEU A 76 1.232 -3.727 -3.153 1.00 0.00 C ATOM 1170 CG LEU A 76 0.554 -5.080 -2.910 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.434 -5.393 -4.024 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.590 -6.190 -2.787 1.00 0.00 C ATOM 0 H LEU A 76 1.512 -2.624 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 76 3.179 -4.284 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.506 -2.936 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.510 -3.661 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 76 0.005 -5.020 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.904 -6.357 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.199 -4.617 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.092 -5.429 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.086 -7.141 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.171 -6.249 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.255 -5.976 -1.951 1.00 0.00 H new ATOM 1184 N LEU A 77 4.314 -2.307 -3.400 1.00 0.00 N ATOM 1185 CA LEU A 77 5.065 -1.154 -3.890 1.00 0.00 C ATOM 1186 C LEU A 77 5.024 -1.094 -5.415 1.00 0.00 C ATOM 1187 O LEU A 77 5.066 -2.128 -6.085 1.00 0.00 O ATOM 1188 CB LEU A 77 6.515 -1.215 -3.400 1.00 0.00 C ATOM 1189 CG LEU A 77 6.697 -1.182 -1.880 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.070 -2.409 -1.235 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.174 -1.088 -1.525 1.00 0.00 C ATOM 0 H LEU A 77 4.752 -3.207 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 77 4.601 -0.250 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.972 -2.127 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.062 -0.378 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 77 6.190 -0.298 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.211 -2.365 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.004 -2.434 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.545 -3.309 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.287 -1.065 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.701 -1.954 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.594 -0.177 -1.953 1.00 0.00 H new ATOM 1203 N PHE A 78 4.923 0.121 -5.957 1.00 0.00 N ATOM 1204 CA PHE A 78 4.845 0.314 -7.406 1.00 0.00 C ATOM 1205 C PHE A 78 5.629 1.553 -7.856 1.00 0.00 C ATOM 1206 O PHE A 78 5.404 2.649 -7.343 1.00 0.00 O ATOM 1207 CB PHE A 78 3.373 0.479 -7.800 1.00 0.00 C ATOM 1208 CG PHE A 78 2.500 -0.662 -7.360 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.602 -1.908 -7.960 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.584 -0.491 -6.335 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.804 -2.958 -7.547 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.783 -1.538 -5.919 1.00 0.00 C ATOM 1213 CZ PHE A 78 0.893 -2.772 -6.525 1.00 0.00 C ATOM 0 H PHE A 78 4.893 0.985 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 78 5.285 -0.556 -7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.992 1.404 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.305 0.581 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.313 -2.060 -8.759 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.495 0.472 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.892 -3.923 -8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.072 -1.390 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.268 -3.591 -6.201 1.00 0.00 H new ATOM 1223 N LYS A 79 6.534 1.390 -8.831 1.00 0.00 N ATOM 1224 CA LYS A 79 7.308 2.534 -9.337 1.00 0.00 C ATOM 1225 C LYS A 79 6.886 2.913 -10.755 1.00 0.00 C ATOM 1226 O LYS A 79 6.763 2.053 -11.625 1.00 0.00 O ATOM 1227 CB LYS A 79 8.810 2.238 -9.321 1.00 0.00 C ATOM 1228 CG LYS A 79 9.462 2.423 -7.959 1.00 0.00 C ATOM 1229 CD LYS A 79 9.451 3.881 -7.527 1.00 0.00 C ATOM 1230 CE LYS A 79 10.151 4.773 -8.542 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.558 4.348 -8.780 1.00 0.00 N ATOM 0 H LYS A 79 6.746 0.498 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 79 7.101 3.372 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.971 1.213 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.306 2.889 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.937 1.819 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.490 2.061 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.421 4.215 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.941 3.977 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.602 4.752 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.138 5.804 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.044 5.064 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.048 4.245 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.565 3.437 -9.282 1.00 0.00 H new ATOM 1245 N ASN A 80 6.677 4.213 -10.984 1.00 0.00 N ATOM 1246 CA ASN A 80 6.282 4.714 -12.302 1.00 0.00 C ATOM 1247 C ASN A 80 5.215 3.833 -12.954 1.00 0.00 C ATOM 1248 O ASN A 80 5.456 3.213 -13.988 1.00 0.00 O ATOM 1249 CB ASN A 80 7.506 4.810 -13.215 1.00 0.00 C ATOM 1250 CG ASN A 80 8.566 5.745 -12.664 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.086 5.535 -11.568 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.893 6.782 -13.426 1.00 0.00 N ATOM 0 H ASN A 80 6.775 4.937 -10.272 1.00 0.00 H new ATOM 0 HA ASN A 80 5.851 5.705 -12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.935 3.817 -13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.195 5.158 -14.200 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.602 7.444 -13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.436 6.917 -14.328 1.00 0.00 H new ATOM 1259 N GLY A 81 4.036 3.793 -12.344 1.00 0.00 N ATOM 1260 CA GLY A 81 2.942 2.997 -12.871 1.00 0.00 C ATOM 1261 C GLY A 81 3.316 1.545 -13.097 1.00 0.00 C ATOM 1262 O GLY A 81 2.659 0.841 -13.864 1.00 0.00 O ATOM 0 H GLY A 81 3.817 4.302 -11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.100 3.046 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.607 3.430 -13.813 1.00 0.00 H new ATOM 1266 N LYS A 82 4.364 1.093 -12.421 1.00 0.00 N ATOM 1267 CA LYS A 82 4.815 -0.286 -12.541 1.00 0.00 C ATOM 1268 C LYS A 82 4.933 -0.918 -11.159 1.00 0.00 C ATOM 1269 O LYS A 82 4.345 -0.433 -10.198 1.00 0.00 O ATOM 1270 CB LYS A 82 6.155 -0.352 -13.285 1.00 0.00 C ATOM 1271 CG LYS A 82 6.087 0.182 -14.707 1.00 0.00 C ATOM 1272 CD LYS A 82 7.444 0.121 -15.392 1.00 0.00 C ATOM 1273 CE LYS A 82 7.958 -1.307 -15.482 1.00 0.00 C ATOM 1274 NZ LYS A 82 7.034 -2.184 -16.252 1.00 0.00 N ATOM 0 H LYS A 82 4.919 1.663 -11.783 1.00 0.00 H new ATOM 0 HA LYS A 82 4.080 -0.847 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.899 0.216 -12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.497 -1.387 -13.310 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.363 -0.397 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.731 1.212 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.367 0.545 -16.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.159 0.732 -14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.940 -1.310 -15.956 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.088 -1.710 -14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.501 -3.092 -16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.171 -2.353 -15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.783 -1.721 -17.149 1.00 0.00 H new ATOM 1288 N GLU A 83 5.683 -2.001 -11.062 1.00 0.00 N ATOM 1289 CA GLU A 83 5.863 -2.698 -9.798 1.00 0.00 C ATOM 1290 C GLU A 83 7.291 -2.494 -9.292 1.00 0.00 C ATOM 1291 O GLU A 83 8.090 -1.838 -9.955 1.00 0.00 O ATOM 1292 CB GLU A 83 5.554 -4.190 -10.014 1.00 0.00 C ATOM 1293 CG GLU A 83 5.617 -5.053 -8.764 1.00 0.00 C ATOM 1294 CD GLU A 83 5.050 -6.442 -8.984 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.607 -6.731 -10.116 1.00 0.00 O ATOM 1296 OE2 GLU A 83 5.049 -7.242 -8.025 1.00 0.00 O ATOM 0 H GLU A 83 6.181 -2.420 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 83 5.185 -2.301 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.558 -4.279 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.257 -4.588 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.653 -5.136 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.067 -4.563 -7.961 1.00 0.00 H new ATOM 1303 N VAL A 84 7.598 -3.043 -8.117 1.00 0.00 N ATOM 1304 CA VAL A 84 8.932 -2.931 -7.531 1.00 0.00 C ATOM 1305 C VAL A 84 9.143 -3.974 -6.443 1.00 0.00 C ATOM 1306 O VAL A 84 10.174 -4.646 -6.411 1.00 0.00 O ATOM 1307 CB VAL A 84 9.207 -1.540 -6.938 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.470 -0.532 -8.037 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.053 -1.094 -6.059 1.00 0.00 C ATOM 0 H VAL A 84 6.936 -3.573 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 84 9.630 -3.099 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 84 10.100 -1.604 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.662 0.446 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.338 -0.845 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.600 -0.470 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.268 -0.107 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.140 -1.049 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.921 -1.805 -5.243 1.00 0.00 H new ATOM 1319 N ALA A 85 8.169 -4.107 -5.548 1.00 0.00 N ATOM 1320 CA ALA A 85 8.278 -5.074 -4.463 1.00 0.00 C ATOM 1321 C ALA A 85 6.940 -5.305 -3.772 1.00 0.00 C ATOM 1322 O ALA A 85 6.015 -4.501 -3.891 1.00 0.00 O ATOM 1323 CB ALA A 85 9.319 -4.614 -3.455 1.00 0.00 C ATOM 0 H ALA A 85 7.305 -3.564 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 85 8.591 -6.024 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.392 -5.344 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.286 -4.520 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.026 -3.648 -3.044 1.00 0.00 H new ATOM 1329 N LYS A 86 6.855 -6.411 -3.041 1.00 0.00 N ATOM 1330 CA LYS A 86 5.644 -6.766 -2.313 1.00 0.00 C ATOM 1331 C LYS A 86 5.996 -7.544 -1.050 1.00 0.00 C ATOM 1332 O LYS A 86 6.534 -8.649 -1.119 1.00 0.00 O ATOM 1333 CB LYS A 86 4.712 -7.594 -3.200 1.00 0.00 C ATOM 1334 CG LYS A 86 5.357 -8.857 -3.751 1.00 0.00 C ATOM 1335 CD LYS A 86 4.402 -9.624 -4.651 1.00 0.00 C ATOM 1336 CE LYS A 86 3.157 -10.063 -3.898 1.00 0.00 C ATOM 1337 NZ LYS A 86 2.223 -10.828 -4.770 1.00 0.00 N ATOM 0 H LYS A 86 7.617 -7.081 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 86 5.129 -5.848 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.827 -7.869 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.373 -6.977 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.254 -8.594 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.672 -9.495 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.115 -8.998 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.909 -10.498 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.446 -10.679 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.646 -9.187 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.397 -10.238 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.709 -11.094 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.910 -11.687 -4.274 1.00 0.00 H new ATOM 1351 N VAL A 87 5.697 -6.959 0.104 1.00 0.00 N ATOM 1352 CA VAL A 87 5.994 -7.600 1.378 1.00 0.00 C ATOM 1353 C VAL A 87 4.783 -7.581 2.304 1.00 0.00 C ATOM 1354 O VAL A 87 4.515 -6.583 2.972 1.00 0.00 O ATOM 1355 CB VAL A 87 7.180 -6.913 2.085 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.538 -7.640 3.374 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.382 -6.836 1.156 1.00 0.00 C ATOM 0 H VAL A 87 5.251 -6.045 0.183 1.00 0.00 H new ATOM 0 HA VAL A 87 6.258 -8.634 1.158 1.00 0.00 H new ATOM 0 HB VAL A 87 6.882 -5.897 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.377 -7.137 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.679 -7.635 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.814 -8.670 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.209 -6.348 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.680 -7.843 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.119 -6.262 0.268 1.00 0.00 H new ATOM 1367 N VAL A 88 4.061 -8.696 2.346 1.00 0.00 N ATOM 1368 CA VAL A 88 2.886 -8.808 3.198 1.00 0.00 C ATOM 1369 C VAL A 88 3.270 -8.662 4.669 1.00 0.00 C ATOM 1370 O VAL A 88 3.720 -9.616 5.305 1.00 0.00 O ATOM 1371 CB VAL A 88 2.157 -10.151 2.973 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.132 -11.315 3.091 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.003 -10.318 3.955 1.00 0.00 C ATOM 0 H VAL A 88 4.270 -9.532 1.801 1.00 0.00 H new ATOM 0 HA VAL A 88 2.206 -8.000 2.929 1.00 0.00 H new ATOM 0 HB VAL A 88 1.744 -10.146 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.600 -12.253 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.917 -11.209 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.577 -11.317 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.507 -11.272 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.387 -10.296 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.289 -9.506 3.819 1.00 0.00 H new ATOM 1383 N GLY A 89 3.091 -7.457 5.197 1.00 0.00 N ATOM 1384 CA GLY A 89 3.424 -7.192 6.583 1.00 0.00 C ATOM 1385 C GLY A 89 4.097 -5.846 6.763 1.00 0.00 C ATOM 1386 O GLY A 89 5.249 -5.664 6.370 1.00 0.00 O ATOM 0 H GLY A 89 2.719 -6.656 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.516 -7.226 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.082 -7.978 6.953 1.00 0.00 H new ATOM 1390 N ALA A 90 3.377 -4.898 7.355 1.00 0.00 N ATOM 1391 CA ALA A 90 3.914 -3.561 7.578 1.00 0.00 C ATOM 1392 C ALA A 90 4.492 -3.425 8.980 1.00 0.00 C ATOM 1393 O ALA A 90 4.382 -2.373 9.610 1.00 0.00 O ATOM 1394 CB ALA A 90 2.837 -2.513 7.346 1.00 0.00 C ATOM 0 H ALA A 90 2.422 -5.031 7.688 1.00 0.00 H new ATOM 0 HA ALA A 90 4.722 -3.400 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.253 -1.520 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.475 -2.584 6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.010 -2.683 8.035 1.00 0.00 H new ATOM 1400 N ASN A 91 5.119 -4.492 9.457 1.00 0.00 N ATOM 1401 CA ASN A 91 5.725 -4.498 10.770 1.00 0.00 C ATOM 1402 C ASN A 91 6.985 -3.636 10.774 1.00 0.00 C ATOM 1403 O ASN A 91 7.826 -3.763 9.886 1.00 0.00 O ATOM 1404 CB ASN A 91 6.065 -5.931 11.160 1.00 0.00 C ATOM 1405 CG ASN A 91 4.833 -6.814 11.255 1.00 0.00 C ATOM 1406 OD1 ASN A 91 3.928 -6.554 12.047 1.00 0.00 O ATOM 1407 ND2 ASN A 91 4.796 -7.864 10.442 1.00 0.00 N ATOM 0 H ASN A 91 5.218 -5.368 8.945 1.00 0.00 H new ATOM 0 HA ASN A 91 5.023 -4.084 11.494 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.753 -6.351 10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.583 -5.930 12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.994 -8.494 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.570 -8.040 9.801 1.00 0.00 H new ATOM 1414 N PRO A 92 7.133 -2.741 11.769 1.00 0.00 N ATOM 1415 CA PRO A 92 8.299 -1.856 11.872 1.00 0.00 C ATOM 1416 C PRO A 92 9.617 -2.593 11.652 1.00 0.00 C ATOM 1417 O PRO A 92 10.250 -3.047 12.605 1.00 0.00 O ATOM 1418 CB PRO A 92 8.206 -1.338 13.304 1.00 0.00 C ATOM 1419 CG PRO A 92 6.746 -1.313 13.581 1.00 0.00 C ATOM 1420 CD PRO A 92 6.176 -2.513 12.871 1.00 0.00 C ATOM 0 HA PRO A 92 8.290 -1.074 11.113 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.734 -1.990 14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.648 -0.346 13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.550 -1.362 14.652 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.294 -0.391 13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.110 -3.377 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.171 -2.319 12.497 1.00 0.00 H new ATOM 1428 N ALA A 93 10.024 -2.713 10.390 1.00 0.00 N ATOM 1429 CA ALA A 93 11.265 -3.399 10.050 1.00 0.00 C ATOM 1430 C ALA A 93 11.490 -3.434 8.542 1.00 0.00 C ATOM 1431 O ALA A 93 12.624 -3.328 8.075 1.00 0.00 O ATOM 1432 CB ALA A 93 11.260 -4.815 10.612 1.00 0.00 C ATOM 0 H ALA A 93 9.512 -2.344 9.588 1.00 0.00 H new ATOM 0 HA ALA A 93 12.086 -2.839 10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.193 -5.314 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.162 -4.776 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.421 -5.370 10.192 1.00 0.00 H new ATOM 1438 N ALA A 94 10.410 -3.593 7.777 1.00 0.00 N ATOM 1439 CA ALA A 94 10.518 -3.652 6.323 1.00 0.00 C ATOM 1440 C ALA A 94 9.721 -2.548 5.648 1.00 0.00 C ATOM 1441 O ALA A 94 10.220 -1.885 4.741 1.00 0.00 O ATOM 1442 CB ALA A 94 10.079 -5.015 5.810 1.00 0.00 C ATOM 0 H ALA A 94 9.460 -3.682 8.137 1.00 0.00 H new ATOM 0 HA ALA A 94 11.567 -3.499 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.166 -5.040 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.713 -5.788 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.042 -5.194 6.095 1.00 0.00 H new ATOM 1448 N ILE A 95 8.488 -2.337 6.090 1.00 0.00 N ATOM 1449 CA ILE A 95 7.652 -1.293 5.514 1.00 0.00 C ATOM 1450 C ILE A 95 8.396 0.044 5.451 1.00 0.00 C ATOM 1451 O ILE A 95 8.007 0.943 4.705 1.00 0.00 O ATOM 1452 CB ILE A 95 6.350 -1.119 6.324 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.508 0.040 5.780 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.669 -0.897 7.794 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.145 -0.096 4.316 1.00 0.00 C ATOM 0 H ILE A 95 8.048 -2.870 6.840 1.00 0.00 H new ATOM 0 HA ILE A 95 7.402 -1.603 4.499 1.00 0.00 H new ATOM 0 HB ILE A 95 5.766 -2.034 6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.592 0.116 6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.056 0.972 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.741 -0.776 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.217 -1.756 8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.278 0.000 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.549 0.763 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.055 -0.140 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.569 -1.009 4.167 1.00 0.00 H new ATOM 1467 N LYS A 96 9.470 0.169 6.232 1.00 0.00 N ATOM 1468 CA LYS A 96 10.257 1.398 6.247 1.00 0.00 C ATOM 1469 C LYS A 96 11.397 1.330 5.239 1.00 0.00 C ATOM 1470 O LYS A 96 11.575 2.235 4.424 1.00 0.00 O ATOM 1471 CB LYS A 96 10.797 1.680 7.652 1.00 0.00 C ATOM 1472 CG LYS A 96 11.756 0.625 8.174 1.00 0.00 C ATOM 1473 CD LYS A 96 12.177 0.920 9.605 1.00 0.00 C ATOM 1474 CE LYS A 96 13.211 -0.077 10.103 1.00 0.00 C ATOM 1475 NZ LYS A 96 14.480 -0.002 9.325 1.00 0.00 N ATOM 0 H LYS A 96 9.811 -0.561 6.857 1.00 0.00 H new ATOM 0 HA LYS A 96 9.600 2.219 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.304 2.645 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.957 1.764 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.282 -0.355 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.638 0.584 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.586 1.929 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.302 0.893 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.420 0.113 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.804 -1.086 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.784 -0.961 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.326 0.560 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.217 0.448 9.905 1.00 0.00 H new ATOM 1489 N GLN A 97 12.171 0.250 5.302 1.00 0.00 N ATOM 1490 CA GLN A 97 13.296 0.066 4.396 1.00 0.00 C ATOM 1491 C GLN A 97 12.805 -0.199 2.979 1.00 0.00 C ATOM 1492 O GLN A 97 13.454 0.182 2.004 1.00 0.00 O ATOM 1493 CB GLN A 97 14.174 -1.096 4.861 1.00 0.00 C ATOM 1494 CG GLN A 97 14.678 -0.954 6.287 1.00 0.00 C ATOM 1495 CD GLN A 97 15.586 -2.097 6.698 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.662 -2.285 6.132 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.150 -2.875 7.684 1.00 0.00 N ATOM 0 H GLN A 97 12.038 -0.509 5.971 1.00 0.00 H new ATOM 0 HA GLN A 97 13.887 0.982 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.607 -2.023 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.029 -1.183 4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.217 -0.012 6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.827 -0.907 6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.251 -2.683 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.715 -3.664 7.999 1.00 0.00 H new ATOM 1506 N ALA A 98 11.654 -0.853 2.875 1.00 0.00 N ATOM 1507 CA ALA A 98 11.075 -1.168 1.575 1.00 0.00 C ATOM 1508 C ALA A 98 10.753 0.107 0.804 1.00 0.00 C ATOM 1509 O ALA A 98 10.759 0.120 -0.427 1.00 0.00 O ATOM 1510 CB ALA A 98 9.823 -2.016 1.746 1.00 0.00 C ATOM 0 H ALA A 98 11.105 -1.174 3.672 1.00 0.00 H new ATOM 0 HA ALA A 98 11.807 -1.737 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.401 -2.244 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.079 -2.945 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.090 -1.468 2.338 1.00 0.00 H new ATOM 1516 N ILE A 99 10.472 1.175 1.541 1.00 0.00 N ATOM 1517 CA ILE A 99 10.144 2.460 0.941 1.00 0.00 C ATOM 1518 C ILE A 99 11.395 3.314 0.724 1.00 0.00 C ATOM 1519 O ILE A 99 11.333 4.370 0.097 1.00 0.00 O ATOM 1520 CB ILE A 99 9.147 3.236 1.824 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.896 2.392 2.066 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.778 4.564 1.177 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.870 3.072 2.942 1.00 0.00 C ATOM 0 H ILE A 99 10.465 1.175 2.561 1.00 0.00 H new ATOM 0 HA ILE A 99 9.689 2.255 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 99 9.620 3.446 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.439 2.150 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.188 1.448 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.073 5.097 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.677 5.167 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.320 4.380 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.009 2.416 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.310 3.290 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.550 4.002 2.472 1.00 0.00 H new ATOM 1535 N ALA A 100 12.528 2.854 1.248 1.00 0.00 N ATOM 1536 CA ALA A 100 13.784 3.584 1.111 1.00 0.00 C ATOM 1537 C ALA A 100 14.535 3.156 -0.144 1.00 0.00 C ATOM 1538 O ALA A 100 14.655 3.921 -1.099 1.00 0.00 O ATOM 1539 CB ALA A 100 14.651 3.377 2.344 1.00 0.00 C ATOM 0 H ALA A 100 12.602 1.981 1.770 1.00 0.00 H new ATOM 0 HA ALA A 100 13.551 4.645 1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.585 3.927 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.123 3.740 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.867 2.315 2.462 1.00 0.00 H new ATOM 1545 N ALA A 101 15.041 1.926 -0.132 1.00 0.00 N ATOM 1546 CA ALA A 101 15.784 1.391 -1.267 1.00 0.00 C ATOM 1547 C ALA A 101 14.986 1.524 -2.560 1.00 0.00 C ATOM 1548 O ALA A 101 15.559 1.658 -3.642 1.00 0.00 O ATOM 1549 CB ALA A 101 16.151 -0.064 -1.019 1.00 0.00 C ATOM 0 H ALA A 101 14.949 1.281 0.653 1.00 0.00 H new ATOM 0 HA ALA A 101 16.700 1.972 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.705 -0.450 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.769 -0.136 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.242 -0.650 -0.881 1.00 0.00 H new ATOM 1555 N ASN A 102 13.663 1.488 -2.441 1.00 0.00 N ATOM 1556 CA ASN A 102 12.791 1.604 -3.591 1.00 0.00 C ATOM 1557 C ASN A 102 12.620 3.062 -4.004 1.00 0.00 C ATOM 1558 O ASN A 102 12.832 3.419 -5.161 1.00 0.00 O ATOM 1559 CB ASN A 102 11.436 0.990 -3.259 1.00 0.00 C ATOM 1560 CG ASN A 102 11.521 -0.506 -3.030 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.236 -0.971 -2.142 1.00 0.00 O ATOM 1562 ND2 ASN A 102 10.787 -1.269 -3.831 1.00 0.00 N ATOM 0 H ASN A 102 13.175 1.379 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 102 13.241 1.070 -4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.032 1.469 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.739 1.191 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.801 -2.283 -3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.209 -0.841 -4.554 1.00 0.00 H new ATOM 1569 N ALA A 103 12.235 3.902 -3.047 1.00 0.00 N ATOM 1570 CA ALA A 103 12.037 5.322 -3.310 1.00 0.00 C ATOM 1571 C ALA A 103 13.235 6.138 -2.839 1.00 0.00 C ATOM 1572 O ALA A 103 14.006 6.607 -3.702 1.00 0.00 O ATOM 1573 CB ALA A 103 10.762 5.808 -2.637 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.392 6.302 -1.611 1.00 0.00 O ATOM 0 H ALA A 103 12.054 3.623 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 103 11.940 5.460 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.625 6.870 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.910 5.251 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.836 5.652 -1.561 1.00 0.00 H new TER 1580 ALA A 103