USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 61 SER OG : rot 10:sc= 0.374 USER MOD Set 1.2: A 62 SER OG : rot 35:sc= 0.246 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.659 K(o=0.66,f=-5.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 158:sc= -1.59 (180deg=-3.3!) USER MOD Single : A 25 THR OG1 : rot 150:sc= -5.37! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00169 USER MOD Single : A 31 SER OG : rot 138:sc= 0.12 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.56 K(o=-2.6,f=-6.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.197 X(o=-0.2,f=0.02) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 87 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.1) USER MOD Single : A 94 SER OG : rot 15:sc= 0.831 USER MOD Single : A 100 SER OG : rot 90:sc= 0.757 USER MOD Single : A 101 CYS SG : rot 73:sc= -0.0965 USER MOD Single : A 102 HIS : no HD1:sc= -2.23! X(o=-2.2!,f=-2.3) USER MOD Single : A 114 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.181 -12.172 30.388 1.00 0.00 N ATOM 2 CA MET A 1 -25.525 -11.541 30.327 1.00 0.00 C ATOM 3 C MET A 1 -25.533 -10.349 29.374 1.00 0.00 C ATOM 4 O MET A 1 -25.379 -9.203 29.796 1.00 0.00 O ATOM 5 CB MET A 1 -25.916 -11.092 31.737 1.00 0.00 C ATOM 6 CG MET A 1 -26.633 -12.166 32.541 1.00 0.00 C ATOM 7 SD MET A 1 -25.989 -12.324 34.217 1.00 0.00 S ATOM 8 CE MET A 1 -26.907 -13.747 34.800 1.00 0.00 C ATOM 0 H1 MET A 1 -24.206 -12.979 31.043 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.910 -12.504 29.440 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.485 -11.475 30.723 1.00 0.00 H new ATOM 0 HA MET A 1 -26.245 -12.267 29.949 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.018 -10.787 32.274 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.558 -10.214 31.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.697 -11.932 32.585 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.538 -13.123 32.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.618 -13.971 35.827 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.975 -13.532 34.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.687 -14.606 34.166 1.00 0.00 H new ATOM 20 N ALA A 2 -25.718 -10.629 28.087 1.00 0.00 N ATOM 21 CA ALA A 2 -25.748 -9.582 27.072 1.00 0.00 C ATOM 22 C ALA A 2 -24.359 -8.997 26.841 1.00 0.00 C ATOM 23 O ALA A 2 -23.699 -9.312 25.851 1.00 0.00 O ATOM 24 CB ALA A 2 -26.725 -8.486 27.469 1.00 0.00 C ATOM 0 H ALA A 2 -25.849 -11.573 27.723 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.084 -10.031 26.137 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.736 -7.712 26.701 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.724 -8.909 27.572 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.416 -8.050 28.419 1.00 0.00 H new ATOM 30 N ASP A 3 -23.920 -8.142 27.760 1.00 0.00 N ATOM 31 CA ASP A 3 -22.611 -7.511 27.652 1.00 0.00 C ATOM 32 C ASP A 3 -21.730 -7.870 28.845 1.00 0.00 C ATOM 33 O ASP A 3 -22.165 -8.564 29.764 1.00 0.00 O ATOM 34 CB ASP A 3 -22.762 -5.990 27.557 1.00 0.00 C ATOM 35 CG ASP A 3 -23.567 -5.564 26.345 1.00 0.00 C ATOM 36 OD1 ASP A 3 -24.235 -6.429 25.742 1.00 0.00 O ATOM 37 OD2 ASP A 3 -23.528 -4.364 25.999 1.00 0.00 O ATOM 0 H ASP A 3 -24.452 -7.871 28.587 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.132 -7.882 26.746 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -23.246 -5.619 28.460 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.774 -5.532 27.513 1.00 0.00 H new ATOM 42 N PHE A 4 -20.490 -7.392 28.820 1.00 0.00 N ATOM 43 CA PHE A 4 -19.544 -7.661 29.895 1.00 0.00 C ATOM 44 C PHE A 4 -19.148 -9.132 29.920 1.00 0.00 C ATOM 45 O PHE A 4 -19.382 -9.865 28.958 1.00 0.00 O ATOM 46 CB PHE A 4 -20.145 -7.259 31.244 1.00 0.00 C ATOM 47 CG PHE A 4 -19.219 -6.435 32.091 1.00 0.00 C ATOM 48 CD1 PHE A 4 -18.478 -5.406 31.534 1.00 0.00 C ATOM 49 CD2 PHE A 4 -19.087 -6.693 33.447 1.00 0.00 C ATOM 50 CE1 PHE A 4 -17.625 -4.646 32.313 1.00 0.00 C ATOM 51 CE2 PHE A 4 -18.235 -5.938 34.230 1.00 0.00 C ATOM 52 CZ PHE A 4 -17.503 -4.912 33.662 1.00 0.00 C ATOM 0 H PHE A 4 -20.117 -6.816 28.065 1.00 0.00 H new ATOM 0 HA PHE A 4 -18.648 -7.067 29.712 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -21.063 -6.697 31.071 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -20.421 -8.160 31.792 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -18.567 -5.195 30.479 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -19.657 -7.493 33.896 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -17.055 -3.845 31.866 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -18.141 -6.149 35.285 1.00 0.00 H new ATOM 0 HZ PHE A 4 -16.837 -4.320 34.272 1.00 0.00 H new ATOM 62 N ASP A 5 -18.543 -9.559 31.024 1.00 0.00 N ATOM 63 CA ASP A 5 -18.110 -10.943 31.172 1.00 0.00 C ATOM 64 C ASP A 5 -16.934 -11.245 30.251 1.00 0.00 C ATOM 65 O ASP A 5 -16.886 -12.297 29.612 1.00 0.00 O ATOM 66 CB ASP A 5 -19.268 -11.897 30.870 1.00 0.00 C ATOM 67 CG ASP A 5 -19.084 -13.253 31.520 1.00 0.00 C ATOM 68 OD1 ASP A 5 -19.296 -13.358 32.747 1.00 0.00 O ATOM 69 OD2 ASP A 5 -18.728 -14.213 30.803 1.00 0.00 O ATOM 0 H ASP A 5 -18.342 -8.966 31.829 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.788 -11.089 32.203 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.201 -11.454 31.219 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.359 -12.024 29.791 1.00 0.00 H new ATOM 74 N ASN A 6 -15.988 -10.314 30.184 1.00 0.00 N ATOM 75 CA ASN A 6 -14.812 -10.478 29.338 1.00 0.00 C ATOM 76 C ASN A 6 -15.196 -10.451 27.862 1.00 0.00 C ATOM 77 O ASN A 6 -16.377 -10.394 27.519 1.00 0.00 O ATOM 78 CB ASN A 6 -14.100 -11.792 29.667 1.00 0.00 C ATOM 79 CG ASN A 6 -12.600 -11.702 29.471 1.00 0.00 C ATOM 80 OD1 ASN A 6 -12.109 -10.843 28.738 1.00 0.00 O ATOM 81 ND2 ASN A 6 -11.863 -12.591 30.127 1.00 0.00 N ATOM 0 H ASN A 6 -16.013 -9.438 30.706 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.135 -9.647 29.535 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.313 -12.068 30.700 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.499 -12.586 29.036 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.847 -12.579 30.034 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.313 -13.285 30.724 1.00 0.00 H new ATOM 88 N LEU A 7 -14.191 -10.491 26.993 1.00 0.00 N ATOM 89 CA LEU A 7 -14.424 -10.472 25.554 1.00 0.00 C ATOM 90 C LEU A 7 -15.098 -11.761 25.095 1.00 0.00 C ATOM 91 O LEU A 7 -15.480 -12.599 25.912 1.00 0.00 O ATOM 92 CB LEU A 7 -13.104 -10.277 24.805 1.00 0.00 C ATOM 93 CG LEU A 7 -12.150 -9.259 25.435 1.00 0.00 C ATOM 94 CD1 LEU A 7 -10.969 -8.997 24.513 1.00 0.00 C ATOM 95 CD2 LEU A 7 -12.884 -7.965 25.750 1.00 0.00 C ATOM 0 H LEU A 7 -13.208 -10.537 27.261 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.088 -9.637 25.329 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.595 -11.238 24.740 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.325 -9.963 23.785 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.770 -9.672 26.370 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.300 -8.271 24.976 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.430 -9.928 24.339 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.330 -8.604 23.563 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.190 -7.253 26.197 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.292 -7.545 24.831 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.696 -8.168 26.448 1.00 0.00 H new ATOM 107 N PHE A 8 -15.240 -11.914 23.781 1.00 0.00 N ATOM 108 CA PHE A 8 -15.867 -13.104 23.215 1.00 0.00 C ATOM 109 C PHE A 8 -15.165 -13.530 21.930 1.00 0.00 C ATOM 110 O PHE A 8 -14.735 -12.691 21.139 1.00 0.00 O ATOM 111 CB PHE A 8 -17.348 -12.839 22.937 1.00 0.00 C ATOM 112 CG PHE A 8 -18.247 -13.179 24.092 1.00 0.00 C ATOM 113 CD1 PHE A 8 -18.213 -14.441 24.664 1.00 0.00 C ATOM 114 CD2 PHE A 8 -19.124 -12.238 24.604 1.00 0.00 C ATOM 115 CE1 PHE A 8 -19.039 -14.757 25.727 1.00 0.00 C ATOM 116 CE2 PHE A 8 -19.952 -12.547 25.666 1.00 0.00 C ATOM 117 CZ PHE A 8 -19.909 -13.808 26.228 1.00 0.00 C ATOM 0 H PHE A 8 -14.930 -11.231 23.090 1.00 0.00 H new ATOM 0 HA PHE A 8 -15.778 -13.913 23.941 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -17.479 -11.787 22.683 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.655 -13.418 22.066 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -17.534 -15.186 24.275 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -19.161 -11.251 24.168 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -19.004 -15.744 26.165 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -20.632 -11.804 26.056 1.00 0.00 H new ATOM 0 HZ PHE A 8 -20.555 -14.052 27.058 1.00 0.00 H new ATOM 127 N ASP A 9 -15.051 -14.838 21.730 1.00 0.00 N ATOM 128 CA ASP A 9 -14.400 -15.375 20.540 1.00 0.00 C ATOM 129 C ASP A 9 -14.637 -16.877 20.419 1.00 0.00 C ATOM 130 O ASP A 9 -15.223 -17.498 21.305 1.00 0.00 O ATOM 131 CB ASP A 9 -12.898 -15.087 20.583 1.00 0.00 C ATOM 132 CG ASP A 9 -12.422 -14.318 19.366 1.00 0.00 C ATOM 133 OD1 ASP A 9 -12.508 -14.866 18.247 1.00 0.00 O ATOM 134 OD2 ASP A 9 -11.966 -13.167 19.531 1.00 0.00 O ATOM 0 H ASP A 9 -15.400 -15.546 22.376 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.834 -14.886 19.668 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.666 -14.518 21.483 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.352 -16.028 20.651 1.00 0.00 H new ATOM 139 N ALA A 10 -14.160 -17.458 19.319 1.00 0.00 N ATOM 140 CA ALA A 10 -14.319 -18.890 19.069 1.00 0.00 C ATOM 141 C ALA A 10 -15.728 -19.205 18.590 1.00 0.00 C ATOM 142 O ALA A 10 -15.918 -19.732 17.493 1.00 0.00 O ATOM 143 CB ALA A 10 -13.985 -19.701 20.316 1.00 0.00 C ATOM 0 H ALA A 10 -13.659 -16.958 18.585 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.620 -19.171 18.281 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.111 -20.763 20.104 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.953 -19.509 20.609 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.652 -19.411 21.128 1.00 0.00 H new ATOM 149 N ALA A 11 -16.717 -18.873 19.409 1.00 0.00 N ATOM 150 CA ALA A 11 -18.105 -19.114 19.055 1.00 0.00 C ATOM 151 C ALA A 11 -18.767 -17.838 18.548 1.00 0.00 C ATOM 152 O ALA A 11 -19.970 -17.640 18.717 1.00 0.00 O ATOM 153 CB ALA A 11 -18.869 -19.674 20.245 1.00 0.00 C ATOM 0 H ALA A 11 -16.582 -18.437 20.321 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.127 -19.850 18.251 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.907 -19.848 19.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.416 -20.614 20.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.833 -18.961 21.069 1.00 0.00 H new ATOM 159 N ILE A 12 -17.970 -16.972 17.931 1.00 0.00 N ATOM 160 CA ILE A 12 -18.469 -15.722 17.393 1.00 0.00 C ATOM 161 C ILE A 12 -17.391 -15.030 16.569 1.00 0.00 C ATOM 162 O ILE A 12 -16.204 -15.331 16.694 1.00 0.00 O ATOM 163 CB ILE A 12 -18.956 -14.774 18.511 1.00 0.00 C ATOM 164 CG1 ILE A 12 -19.762 -13.620 17.912 1.00 0.00 C ATOM 165 CG2 ILE A 12 -17.782 -14.240 19.321 1.00 0.00 C ATOM 166 CD1 ILE A 12 -20.515 -12.808 18.944 1.00 0.00 C ATOM 0 H ILE A 12 -16.970 -17.119 17.793 1.00 0.00 H new ATOM 0 HA ILE A 12 -19.319 -15.959 16.754 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.601 -15.340 19.183 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -19.087 -12.961 17.365 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -20.472 -14.021 17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -18.151 -13.575 20.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -17.246 -15.072 19.777 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -17.108 -13.690 18.665 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -21.064 -12.008 18.448 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.215 -13.453 19.474 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.809 -12.378 19.654 1.00 0.00 H new ATOM 178 N ALA A 13 -17.815 -14.096 15.737 1.00 0.00 N ATOM 179 CA ALA A 13 -16.901 -13.347 14.881 1.00 0.00 C ATOM 180 C ALA A 13 -16.417 -14.203 13.716 1.00 0.00 C ATOM 181 O ALA A 13 -15.425 -14.923 13.831 1.00 0.00 O ATOM 182 CB ALA A 13 -15.717 -12.825 15.684 1.00 0.00 C ATOM 0 H ALA A 13 -18.795 -13.833 15.633 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.446 -12.495 14.474 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.048 -12.270 15.027 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.076 -12.168 16.476 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.178 -13.664 16.125 1.00 0.00 H new ATOM 188 N ARG A 14 -17.126 -14.124 12.595 1.00 0.00 N ATOM 189 CA ARG A 14 -16.769 -14.892 11.408 1.00 0.00 C ATOM 190 C ARG A 14 -16.060 -14.013 10.384 1.00 0.00 C ATOM 191 O ARG A 14 -14.988 -14.361 9.888 1.00 0.00 O ATOM 192 CB ARG A 14 -18.020 -15.515 10.783 1.00 0.00 C ATOM 193 CG ARG A 14 -18.540 -16.725 11.540 1.00 0.00 C ATOM 194 CD ARG A 14 -19.942 -17.103 11.094 1.00 0.00 C ATOM 195 NE ARG A 14 -20.447 -18.272 11.807 1.00 0.00 N ATOM 196 CZ ARG A 14 -21.681 -18.746 11.666 1.00 0.00 C ATOM 197 NH1 ARG A 14 -22.530 -18.152 10.839 1.00 0.00 N ATOM 198 NH2 ARG A 14 -22.066 -19.814 12.350 1.00 0.00 N ATOM 0 H ARG A 14 -17.952 -13.536 12.484 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.088 -15.687 11.712 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.806 -14.761 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.796 -15.807 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.868 -17.569 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.542 -16.513 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.614 -16.260 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.939 -17.305 10.023 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.818 -18.753 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -22.237 -17.331 10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -23.477 -18.516 10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -21.415 -20.274 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -23.013 -20.176 12.240 1.00 0.00 H new ATOM 212 N ALA A 15 -16.665 -12.872 10.071 1.00 0.00 N ATOM 213 CA ALA A 15 -16.092 -11.943 9.105 1.00 0.00 C ATOM 214 C ALA A 15 -17.000 -10.736 8.899 1.00 0.00 C ATOM 215 O ALA A 15 -17.303 -10.361 7.767 1.00 0.00 O ATOM 216 CB ALA A 15 -15.841 -12.650 7.781 1.00 0.00 C ATOM 0 H ALA A 15 -17.552 -12.569 10.473 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.141 -11.585 9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.413 -11.946 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.147 -13.476 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.783 -13.035 7.390 1.00 0.00 H new ATOM 222 N ASP A 16 -17.432 -10.131 10.001 1.00 0.00 N ATOM 223 CA ASP A 16 -18.304 -8.964 9.941 1.00 0.00 C ATOM 224 C ASP A 16 -17.828 -7.880 10.901 1.00 0.00 C ATOM 225 O ASP A 16 -17.981 -8.000 12.117 1.00 0.00 O ATOM 226 CB ASP A 16 -19.745 -9.361 10.275 1.00 0.00 C ATOM 227 CG ASP A 16 -20.750 -8.320 9.823 1.00 0.00 C ATOM 228 OD1 ASP A 16 -20.790 -8.019 8.611 1.00 0.00 O ATOM 229 OD2 ASP A 16 -21.498 -7.806 10.681 1.00 0.00 O ATOM 0 H ASP A 16 -17.192 -10.430 10.946 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.269 -8.566 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.976 -10.315 9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.838 -9.509 11.351 1.00 0.00 H new ATOM 234 N GLU A 17 -17.246 -6.820 10.348 1.00 0.00 N ATOM 235 CA GLU A 17 -16.744 -5.715 11.154 1.00 0.00 C ATOM 236 C GLU A 17 -16.463 -4.493 10.285 1.00 0.00 C ATOM 237 O GLU A 17 -15.684 -4.561 9.334 1.00 0.00 O ATOM 238 CB GLU A 17 -15.471 -6.134 11.891 1.00 0.00 C ATOM 239 CG GLU A 17 -15.578 -6.019 13.404 1.00 0.00 C ATOM 240 CD GLU A 17 -14.301 -5.509 14.042 1.00 0.00 C ATOM 241 OE1 GLU A 17 -13.822 -4.432 13.631 1.00 0.00 O ATOM 242 OE2 GLU A 17 -13.782 -6.187 14.953 1.00 0.00 O ATOM 0 H GLU A 17 -17.111 -6.704 9.344 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.509 -5.451 11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.232 -7.165 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.641 -5.517 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.399 -5.348 13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.824 -6.995 13.822 1.00 0.00 H new ATOM 249 N THR A 18 -17.101 -3.376 10.618 1.00 0.00 N ATOM 250 CA THR A 18 -16.921 -2.141 9.864 1.00 0.00 C ATOM 251 C THR A 18 -17.375 -2.318 8.419 1.00 0.00 C ATOM 252 O THR A 18 -16.643 -2.864 7.592 1.00 0.00 O ATOM 253 CB THR A 18 -15.456 -1.705 9.902 1.00 0.00 C ATOM 254 OG1 THR A 18 -14.856 -2.068 11.133 1.00 0.00 O ATOM 255 CG2 THR A 18 -15.270 -0.214 9.722 1.00 0.00 C ATOM 0 H THR A 18 -17.747 -3.301 11.404 1.00 0.00 H new ATOM 0 HA THR A 18 -17.534 -1.367 10.327 1.00 0.00 H new ATOM 0 HB THR A 18 -14.981 -2.217 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.919 -1.782 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 18 -14.208 0.027 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.678 0.090 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 18 -15.791 0.316 10.519 1.00 0.00 H new ATOM 263 N ILE A 19 -18.586 -1.860 8.123 1.00 0.00 N ATOM 264 CA ILE A 19 -19.139 -1.977 6.780 1.00 0.00 C ATOM 265 C ILE A 19 -18.790 -0.763 5.923 1.00 0.00 C ATOM 266 O ILE A 19 -18.840 -0.827 4.694 1.00 0.00 O ATOM 267 CB ILE A 19 -20.670 -2.142 6.816 1.00 0.00 C ATOM 268 CG1 ILE A 19 -21.210 -2.397 5.407 1.00 0.00 C ATOM 269 CG2 ILE A 19 -21.323 -0.910 7.425 1.00 0.00 C ATOM 270 CD1 ILE A 19 -22.384 -3.351 5.373 1.00 0.00 C ATOM 0 H ILE A 19 -19.203 -1.404 8.795 1.00 0.00 H new ATOM 0 HA ILE A 19 -18.692 -2.867 6.336 1.00 0.00 H new ATOM 0 HB ILE A 19 -20.913 -3.002 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -21.511 -1.447 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -20.408 -2.798 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.405 -1.043 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -20.958 -0.770 8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -21.075 -0.033 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -22.714 -3.485 4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.082 -4.314 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -23.202 -2.942 5.966 1.00 0.00 H new ATOM 282 N ARG A 20 -18.437 0.342 6.574 1.00 0.00 N ATOM 283 CA ARG A 20 -18.085 1.565 5.862 1.00 0.00 C ATOM 284 C ARG A 20 -16.652 1.987 6.173 1.00 0.00 C ATOM 285 O ARG A 20 -16.396 3.138 6.525 1.00 0.00 O ATOM 286 CB ARG A 20 -19.052 2.691 6.232 1.00 0.00 C ATOM 287 CG ARG A 20 -18.917 3.159 7.672 1.00 0.00 C ATOM 288 CD ARG A 20 -19.990 2.549 8.559 1.00 0.00 C ATOM 289 NE ARG A 20 -20.203 3.330 9.775 1.00 0.00 N ATOM 290 CZ ARG A 20 -21.039 2.970 10.743 1.00 0.00 C ATOM 291 NH1 ARG A 20 -21.737 1.848 10.637 1.00 0.00 N ATOM 292 NH2 ARG A 20 -21.178 3.734 11.818 1.00 0.00 N ATOM 0 H ARG A 20 -18.387 0.415 7.590 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.160 1.366 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.883 3.537 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.074 2.351 6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.932 2.889 8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.986 4.246 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.925 2.481 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.704 1.532 8.827 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.681 4.199 9.887 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.633 1.259 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.378 1.574 11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.643 4.598 11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.820 3.457 12.561 1.00 0.00 H new ATOM 306 N GLY A 21 -15.721 1.049 6.033 1.00 0.00 N ATOM 307 CA GLY A 21 -14.326 1.340 6.300 1.00 0.00 C ATOM 308 C GLY A 21 -13.387 0.484 5.475 1.00 0.00 C ATOM 309 O GLY A 21 -13.275 0.667 4.262 1.00 0.00 O ATOM 0 H GLY A 21 -15.909 0.091 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.131 2.392 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.121 1.182 7.359 1.00 0.00 H new ATOM 313 N TYR A 22 -12.713 -0.455 6.132 1.00 0.00 N ATOM 314 CA TYR A 22 -11.784 -1.349 5.452 1.00 0.00 C ATOM 315 C TYR A 22 -10.571 -0.587 4.926 1.00 0.00 C ATOM 316 O TYR A 22 -10.708 0.486 4.339 1.00 0.00 O ATOM 317 CB TYR A 22 -12.488 -2.067 4.299 1.00 0.00 C ATOM 318 CG TYR A 22 -12.938 -3.470 4.639 1.00 0.00 C ATOM 319 CD1 TYR A 22 -12.053 -4.540 4.573 1.00 0.00 C ATOM 320 CD2 TYR A 22 -14.249 -3.727 5.021 1.00 0.00 C ATOM 321 CE1 TYR A 22 -12.461 -5.823 4.880 1.00 0.00 C ATOM 322 CE2 TYR A 22 -14.664 -5.008 5.329 1.00 0.00 C ATOM 323 CZ TYR A 22 -13.767 -6.052 5.257 1.00 0.00 C ATOM 324 OH TYR A 22 -14.178 -7.329 5.564 1.00 0.00 O ATOM 0 H TYR A 22 -12.794 -0.616 7.136 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.437 -2.086 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.355 -1.481 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.814 -2.109 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.029 -4.365 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -14.955 -2.912 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.760 -6.643 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -15.687 -5.191 5.625 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.126 -7.317 5.811 1.00 0.00 H new ATOM 334 N MET A 23 -9.386 -1.151 5.138 1.00 0.00 N ATOM 335 CA MET A 23 -8.149 -0.528 4.680 1.00 0.00 C ATOM 336 C MET A 23 -7.957 -0.745 3.183 1.00 0.00 C ATOM 337 O MET A 23 -8.278 0.126 2.374 1.00 0.00 O ATOM 338 CB MET A 23 -6.953 -1.099 5.446 1.00 0.00 C ATOM 339 CG MET A 23 -6.327 -0.112 6.418 1.00 0.00 C ATOM 340 SD MET A 23 -5.138 0.986 5.625 1.00 0.00 S ATOM 341 CE MET A 23 -6.233 2.062 4.701 1.00 0.00 C ATOM 0 H MET A 23 -9.256 -2.038 5.624 1.00 0.00 H new ATOM 0 HA MET A 23 -8.216 0.543 4.870 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.273 -1.984 5.995 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.196 -1.423 4.732 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.113 0.484 6.881 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.831 -0.661 7.218 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.722 3.000 4.483 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.517 1.577 3.767 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.127 2.264 5.291 1.00 0.00 H new ATOM 351 N GLY A 24 -7.433 -1.911 2.824 1.00 0.00 N ATOM 352 CA GLY A 24 -7.214 -2.225 1.425 1.00 0.00 C ATOM 353 C GLY A 24 -6.139 -1.367 0.795 1.00 0.00 C ATOM 354 O GLY A 24 -6.402 -0.632 -0.157 1.00 0.00 O ATOM 0 H GLY A 24 -7.156 -2.644 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.936 -3.275 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.147 -2.092 0.877 1.00 0.00 H new ATOM 358 N THR A 25 -4.916 -1.483 1.299 1.00 0.00 N ATOM 359 CA THR A 25 -3.813 -0.694 0.790 1.00 0.00 C ATOM 360 C THR A 25 -3.050 -1.437 -0.299 1.00 0.00 C ATOM 361 O THR A 25 -2.765 -2.631 -0.176 1.00 0.00 O ATOM 362 CB THR A 25 -2.861 -0.362 1.923 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.883 0.568 1.501 1.00 0.00 O ATOM 364 CG2 THR A 25 -2.155 -1.592 2.455 1.00 0.00 C ATOM 0 H THR A 25 -4.668 -2.117 2.059 1.00 0.00 H new ATOM 0 HA THR A 25 -4.225 0.219 0.360 1.00 0.00 H new ATOM 0 HB THR A 25 -3.469 0.066 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.606 1.120 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.484 -1.305 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.893 -2.302 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.579 -2.056 1.654 1.00 0.00 H new ATOM 372 N SER A 26 -2.682 -0.708 -1.338 1.00 0.00 N ATOM 373 CA SER A 26 -1.927 -1.275 -2.440 1.00 0.00 C ATOM 374 C SER A 26 -0.479 -0.837 -2.374 1.00 0.00 C ATOM 375 O SER A 26 -0.194 0.345 -2.490 1.00 0.00 O ATOM 376 CB SER A 26 -2.517 -0.804 -3.765 1.00 0.00 C ATOM 377 OG SER A 26 -3.869 -1.208 -3.900 1.00 0.00 O ATOM 0 H SER A 26 -2.896 0.284 -1.441 1.00 0.00 H new ATOM 0 HA SER A 26 -1.981 -2.361 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.452 0.282 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.931 -1.208 -4.590 1.00 0.00 H new ATOM 0 HG SER A 26 -4.221 -0.891 -4.758 1.00 0.00 H new ATOM 383 N ALA A 27 0.436 -1.797 -2.325 1.00 0.00 N ATOM 384 CA ALA A 27 1.861 -1.485 -2.299 1.00 0.00 C ATOM 385 C ALA A 27 2.570 -2.200 -3.430 1.00 0.00 C ATOM 386 O ALA A 27 2.175 -3.285 -3.832 1.00 0.00 O ATOM 387 CB ALA A 27 2.487 -1.856 -0.958 1.00 0.00 C ATOM 0 H ALA A 27 0.219 -2.793 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 27 1.975 -0.409 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.549 -1.611 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.996 -1.298 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.364 -2.925 -0.782 1.00 0.00 H new ATOM 393 N THR A 28 3.580 -1.555 -3.975 1.00 0.00 N ATOM 394 CA THR A 28 4.326 -2.105 -5.088 1.00 0.00 C ATOM 395 C THR A 28 5.791 -2.254 -4.701 1.00 0.00 C ATOM 396 O THR A 28 6.368 -1.355 -4.104 1.00 0.00 O ATOM 397 CB THR A 28 4.155 -1.190 -6.308 1.00 0.00 C ATOM 398 OG1 THR A 28 2.904 -1.426 -6.930 1.00 0.00 O ATOM 399 CG2 THR A 28 5.225 -1.343 -7.370 1.00 0.00 C ATOM 0 H THR A 28 3.906 -0.641 -3.662 1.00 0.00 H new ATOM 0 HA THR A 28 3.948 -3.095 -5.344 1.00 0.00 H new ATOM 0 HB THR A 28 4.231 -0.180 -5.905 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.807 -0.835 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.022 -0.657 -8.193 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.200 -1.114 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.224 -2.367 -7.743 1.00 0.00 H new ATOM 407 N ILE A 29 6.371 -3.407 -5.008 1.00 0.00 N ATOM 408 CA ILE A 29 7.758 -3.674 -4.665 1.00 0.00 C ATOM 409 C ILE A 29 8.660 -3.555 -5.882 1.00 0.00 C ATOM 410 O ILE A 29 8.476 -4.251 -6.880 1.00 0.00 O ATOM 411 CB ILE A 29 7.925 -5.081 -4.065 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.830 -5.365 -3.034 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.300 -5.242 -3.438 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.598 -4.229 -2.061 1.00 0.00 C ATOM 0 H ILE A 29 5.901 -4.171 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 29 8.046 -2.928 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 29 7.831 -5.805 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.898 -5.579 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.095 -6.262 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.394 -6.244 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.066 -5.092 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.427 -4.505 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.808 -4.504 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.517 -4.029 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.302 -3.335 -2.610 1.00 0.00 H new ATOM 426 N THR A 30 9.645 -2.676 -5.783 1.00 0.00 N ATOM 427 CA THR A 30 10.595 -2.471 -6.865 1.00 0.00 C ATOM 428 C THR A 30 12.024 -2.609 -6.354 1.00 0.00 C ATOM 429 O THR A 30 12.577 -1.680 -5.765 1.00 0.00 O ATOM 430 CB THR A 30 10.391 -1.094 -7.497 1.00 0.00 C ATOM 431 OG1 THR A 30 11.564 -0.672 -8.170 1.00 0.00 O ATOM 432 CG2 THR A 30 10.022 -0.022 -6.495 1.00 0.00 C ATOM 0 H THR A 30 9.807 -2.092 -4.963 1.00 0.00 H new ATOM 0 HA THR A 30 10.423 -3.234 -7.624 1.00 0.00 H new ATOM 0 HB THR A 30 9.560 -1.216 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.413 0.210 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.892 0.929 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.092 -0.294 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.816 0.072 -5.754 1.00 0.00 H new ATOM 440 N SER A 31 12.616 -3.778 -6.578 1.00 0.00 N ATOM 441 CA SER A 31 13.972 -4.042 -6.135 1.00 0.00 C ATOM 442 C SER A 31 14.905 -4.255 -7.322 1.00 0.00 C ATOM 443 O SER A 31 14.463 -4.601 -8.418 1.00 0.00 O ATOM 444 CB SER A 31 14.002 -5.270 -5.222 1.00 0.00 C ATOM 445 OG SER A 31 14.112 -6.465 -5.975 1.00 0.00 O ATOM 0 H SER A 31 12.173 -4.557 -7.065 1.00 0.00 H new ATOM 0 HA SER A 31 14.319 -3.172 -5.577 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.842 -5.193 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.095 -5.300 -4.618 1.00 0.00 H new ATOM 0 HG SER A 31 14.745 -7.071 -5.536 1.00 0.00 H new ATOM 451 N GLY A 32 16.197 -4.055 -7.094 1.00 0.00 N ATOM 452 CA GLY A 32 17.173 -4.232 -8.154 1.00 0.00 C ATOM 453 C GLY A 32 17.156 -5.632 -8.740 1.00 0.00 C ATOM 454 O GLY A 32 17.677 -5.858 -9.831 1.00 0.00 O ATOM 0 H GLY A 32 16.587 -3.773 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.978 -3.509 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.168 -4.018 -7.765 1.00 0.00 H new ATOM 458 N GLU A 33 16.557 -6.574 -8.016 1.00 0.00 N ATOM 459 CA GLU A 33 16.488 -7.957 -8.472 1.00 0.00 C ATOM 460 C GLU A 33 15.276 -8.184 -9.369 1.00 0.00 C ATOM 461 O GLU A 33 15.415 -8.379 -10.577 1.00 0.00 O ATOM 462 CB GLU A 33 16.435 -8.909 -7.276 1.00 0.00 C ATOM 463 CG GLU A 33 17.544 -8.672 -6.263 1.00 0.00 C ATOM 464 CD GLU A 33 17.108 -8.967 -4.841 1.00 0.00 C ATOM 465 OE1 GLU A 33 16.217 -8.253 -4.334 1.00 0.00 O ATOM 466 OE2 GLU A 33 17.658 -9.910 -4.235 1.00 0.00 O ATOM 0 H GLU A 33 16.114 -6.404 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 33 17.387 -8.161 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.471 -8.802 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.496 -9.936 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.400 -9.298 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.877 -7.636 -6.330 1.00 0.00 H new ATOM 473 N GLN A 34 14.087 -8.174 -8.773 1.00 0.00 N ATOM 474 CA GLN A 34 12.858 -8.395 -9.525 1.00 0.00 C ATOM 475 C GLN A 34 11.800 -7.352 -9.178 1.00 0.00 C ATOM 476 O GLN A 34 10.779 -7.669 -8.567 1.00 0.00 O ATOM 477 CB GLN A 34 12.314 -9.795 -9.255 1.00 0.00 C ATOM 478 CG GLN A 34 12.899 -10.860 -10.168 1.00 0.00 C ATOM 479 CD GLN A 34 12.270 -12.222 -9.956 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.106 -12.441 -10.292 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.039 -13.149 -9.396 1.00 0.00 N ATOM 0 H GLN A 34 13.950 -8.016 -7.775 1.00 0.00 H new ATOM 0 HA GLN A 34 13.096 -8.300 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.521 -10.063 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.230 -9.784 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.761 -10.558 -11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.973 -10.930 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.999 -12.925 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.670 -14.085 -9.229 1.00 0.00 H new ATOM 490 N SER A 35 12.043 -6.113 -9.587 1.00 0.00 N ATOM 491 CA SER A 35 11.102 -5.028 -9.336 1.00 0.00 C ATOM 492 C SER A 35 9.886 -5.146 -10.247 1.00 0.00 C ATOM 493 O SER A 35 9.892 -5.910 -11.212 1.00 0.00 O ATOM 494 CB SER A 35 11.784 -3.675 -9.558 1.00 0.00 C ATOM 495 OG SER A 35 12.309 -3.578 -10.871 1.00 0.00 O ATOM 0 H SER A 35 12.883 -5.834 -10.094 1.00 0.00 H new ATOM 0 HA SER A 35 10.770 -5.098 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.068 -2.871 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.586 -3.545 -8.832 1.00 0.00 H new ATOM 0 HG SER A 35 12.738 -2.705 -10.988 1.00 0.00 H new ATOM 501 N GLY A 36 8.843 -4.383 -9.938 1.00 0.00 N ATOM 502 CA GLY A 36 7.637 -4.416 -10.742 1.00 0.00 C ATOM 503 C GLY A 36 6.634 -5.439 -10.246 1.00 0.00 C ATOM 504 O GLY A 36 6.140 -6.258 -11.018 1.00 0.00 O ATOM 0 H GLY A 36 8.812 -3.742 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.175 -3.429 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.900 -4.642 -11.776 1.00 0.00 H new ATOM 508 N ALA A 37 6.335 -5.390 -8.952 1.00 0.00 N ATOM 509 CA ALA A 37 5.381 -6.317 -8.352 1.00 0.00 C ATOM 510 C ALA A 37 4.408 -5.582 -7.437 1.00 0.00 C ATOM 511 O ALA A 37 4.813 -4.775 -6.601 1.00 0.00 O ATOM 512 CB ALA A 37 6.114 -7.406 -7.585 1.00 0.00 C ATOM 0 H ALA A 37 6.739 -4.719 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 37 4.806 -6.781 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.390 -8.090 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.764 -7.956 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.715 -6.954 -6.796 1.00 0.00 H new ATOM 518 N VAL A 38 3.120 -5.873 -7.597 1.00 0.00 N ATOM 519 CA VAL A 38 2.086 -5.230 -6.794 1.00 0.00 C ATOM 520 C VAL A 38 1.630 -6.129 -5.647 1.00 0.00 C ATOM 521 O VAL A 38 1.101 -7.218 -5.865 1.00 0.00 O ATOM 522 CB VAL A 38 0.865 -4.851 -7.651 1.00 0.00 C ATOM 523 CG1 VAL A 38 0.219 -6.093 -8.245 1.00 0.00 C ATOM 524 CG2 VAL A 38 -0.140 -4.059 -6.827 1.00 0.00 C ATOM 0 H VAL A 38 2.768 -6.549 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 38 2.529 -4.324 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 38 1.204 -4.221 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.642 -5.803 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.942 -6.614 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.106 -6.754 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.997 -3.800 -7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.474 -4.662 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.330 -3.147 -6.458 1.00 0.00 H new ATOM 534 N ILE A 39 1.835 -5.651 -4.425 1.00 0.00 N ATOM 535 CA ILE A 39 1.450 -6.384 -3.227 1.00 0.00 C ATOM 536 C ILE A 39 0.514 -5.561 -2.349 1.00 0.00 C ATOM 537 O ILE A 39 0.564 -4.331 -2.356 1.00 0.00 O ATOM 538 CB ILE A 39 2.684 -6.774 -2.383 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.344 -5.540 -1.761 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.685 -7.547 -3.227 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.889 -5.276 -0.343 1.00 0.00 C ATOM 0 H ILE A 39 2.271 -4.748 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 39 0.939 -7.284 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 39 2.344 -7.416 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.426 -5.670 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.122 -4.668 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.547 -7.813 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.216 -8.454 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.010 -6.928 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.392 -4.389 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.811 -5.115 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.135 -6.133 0.284 1.00 0.00 H new ATOM 553 N ARG A 40 -0.296 -6.245 -1.550 1.00 0.00 N ATOM 554 CA ARG A 40 -1.153 -5.565 -0.594 1.00 0.00 C ATOM 555 C ARG A 40 -0.522 -5.631 0.786 1.00 0.00 C ATOM 556 O ARG A 40 -0.155 -6.707 1.261 1.00 0.00 O ATOM 557 CB ARG A 40 -2.553 -6.174 -0.555 1.00 0.00 C ATOM 558 CG ARG A 40 -3.463 -5.510 0.470 1.00 0.00 C ATOM 559 CD ARG A 40 -4.815 -5.155 -0.130 1.00 0.00 C ATOM 560 NE ARG A 40 -5.921 -5.706 0.650 1.00 0.00 N ATOM 561 CZ ARG A 40 -7.201 -5.480 0.373 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.535 -4.717 -0.658 1.00 0.00 N ATOM 563 NH2 ARG A 40 -8.149 -6.017 1.129 1.00 0.00 N ATOM 0 H ARG A 40 -0.376 -7.262 -1.546 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.254 -4.526 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.007 -6.092 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.474 -7.237 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.605 -6.179 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.985 -4.608 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.914 -4.071 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.869 -5.532 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.698 -6.297 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.809 -4.301 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.518 -4.545 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.896 -6.604 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.131 -5.843 0.916 1.00 0.00 H new ATOM 577 N GLY A 41 -0.346 -4.476 1.399 1.00 0.00 N ATOM 578 CA GLY A 41 0.270 -4.422 2.708 1.00 0.00 C ATOM 579 C GLY A 41 0.300 -3.015 3.243 1.00 0.00 C ATOM 580 O GLY A 41 0.480 -2.071 2.481 1.00 0.00 O ATOM 0 H GLY A 41 -0.618 -3.571 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.279 -5.063 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.286 -4.813 2.650 1.00 0.00 H new ATOM 584 N VAL A 42 0.108 -2.857 4.544 1.00 0.00 N ATOM 585 CA VAL A 42 0.022 -1.521 5.113 1.00 0.00 C ATOM 586 C VAL A 42 1.102 -1.237 6.147 1.00 0.00 C ATOM 587 O VAL A 42 2.131 -1.903 6.197 1.00 0.00 O ATOM 588 CB VAL A 42 -1.361 -1.234 5.749 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.865 0.108 5.245 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.366 -2.349 5.504 1.00 0.00 C ATOM 0 H VAL A 42 0.011 -3.620 5.214 1.00 0.00 H new ATOM 0 HA VAL A 42 0.173 -0.856 4.263 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.242 -1.192 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.839 0.320 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.160 0.890 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.958 0.077 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.316 -2.092 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.513 -2.477 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.990 -3.278 5.932 1.00 0.00 H new ATOM 600 N PHE A 43 0.854 -0.199 6.942 1.00 0.00 N ATOM 601 CA PHE A 43 1.775 0.261 7.947 1.00 0.00 C ATOM 602 C PHE A 43 1.117 0.240 9.321 1.00 0.00 C ATOM 603 O PHE A 43 0.194 1.007 9.594 1.00 0.00 O ATOM 604 CB PHE A 43 2.173 1.679 7.571 1.00 0.00 C ATOM 605 CG PHE A 43 3.044 2.389 8.570 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.526 2.836 9.776 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.369 2.660 8.274 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.324 3.509 10.681 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.169 3.336 9.173 1.00 0.00 C ATOM 610 CZ PHE A 43 4.646 3.761 10.378 1.00 0.00 C ATOM 0 H PHE A 43 -0.007 0.345 6.896 1.00 0.00 H new ATOM 0 HA PHE A 43 2.650 -0.387 7.995 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.695 1.651 6.614 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.267 2.266 7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.487 2.656 10.010 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.781 2.339 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.913 3.837 11.624 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.204 3.532 8.934 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.271 4.290 11.082 1.00 0.00 H new ATOM 620 N ASP A 44 1.567 -0.673 10.166 1.00 0.00 N ATOM 621 CA ASP A 44 1.033 -0.802 11.516 1.00 0.00 C ATOM 622 C ASP A 44 2.046 -0.301 12.542 1.00 0.00 C ATOM 623 O ASP A 44 3.211 -0.696 12.518 1.00 0.00 O ATOM 624 CB ASP A 44 0.671 -2.257 11.809 1.00 0.00 C ATOM 625 CG ASP A 44 -0.624 -2.386 12.585 1.00 0.00 C ATOM 626 OD1 ASP A 44 -1.703 -2.265 11.966 1.00 0.00 O ATOM 627 OD2 ASP A 44 -0.562 -2.605 13.814 1.00 0.00 O ATOM 0 H ASP A 44 2.305 -1.340 9.941 1.00 0.00 H new ATOM 0 HA ASP A 44 0.132 -0.193 11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.584 -2.803 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.478 -2.722 12.375 1.00 0.00 H new ATOM 632 N ASP A 45 1.599 0.576 13.433 1.00 0.00 N ATOM 633 CA ASP A 45 2.475 1.138 14.454 1.00 0.00 C ATOM 634 C ASP A 45 2.173 0.542 15.828 1.00 0.00 C ATOM 635 O ASP A 45 1.143 0.846 16.429 1.00 0.00 O ATOM 636 CB ASP A 45 2.318 2.659 14.503 1.00 0.00 C ATOM 637 CG ASP A 45 3.554 3.349 15.044 1.00 0.00 C ATOM 638 OD1 ASP A 45 4.490 2.642 15.470 1.00 0.00 O ATOM 639 OD2 ASP A 45 3.586 4.598 15.041 1.00 0.00 O ATOM 0 H ASP A 45 0.637 0.913 13.469 1.00 0.00 H new ATOM 0 HA ASP A 45 3.503 0.889 14.190 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.106 3.032 13.501 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.461 2.913 15.126 1.00 0.00 H new ATOM 644 N PRO A 46 3.074 -0.309 16.356 1.00 0.00 N ATOM 645 CA PRO A 46 2.890 -0.936 17.670 1.00 0.00 C ATOM 646 C PRO A 46 2.844 0.089 18.798 1.00 0.00 C ATOM 647 O PRO A 46 1.873 0.153 19.553 1.00 0.00 O ATOM 648 CB PRO A 46 4.119 -1.842 17.822 1.00 0.00 C ATOM 649 CG PRO A 46 4.660 -2.005 16.442 1.00 0.00 C ATOM 650 CD PRO A 46 4.331 -0.731 15.719 1.00 0.00 C ATOM 0 HA PRO A 46 1.944 -1.474 17.730 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.859 -1.393 18.484 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.847 -2.805 18.254 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.736 -2.176 16.462 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.210 -2.864 15.945 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.116 0.016 15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.207 -0.894 14.648 1.00 0.00 H new ATOM 658 N GLU A 47 3.901 0.889 18.907 1.00 0.00 N ATOM 659 CA GLU A 47 3.982 1.911 19.945 1.00 0.00 C ATOM 660 C GLU A 47 3.050 3.079 19.635 1.00 0.00 C ATOM 661 O GLU A 47 2.606 3.787 20.538 1.00 0.00 O ATOM 662 CB GLU A 47 5.421 2.412 20.079 1.00 0.00 C ATOM 663 CG GLU A 47 6.185 1.769 21.224 1.00 0.00 C ATOM 664 CD GLU A 47 7.434 2.542 21.600 1.00 0.00 C ATOM 665 OE1 GLU A 47 7.921 3.327 20.760 1.00 0.00 O ATOM 666 OE2 GLU A 47 7.924 2.364 22.735 1.00 0.00 O ATOM 0 H GLU A 47 4.712 0.849 18.290 1.00 0.00 H new ATOM 0 HA GLU A 47 3.669 1.463 20.888 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.952 2.221 19.146 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.409 3.492 20.223 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.533 1.695 22.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.462 0.752 20.945 1.00 0.00 H new ATOM 673 N ASN A 48 2.755 3.271 18.354 1.00 0.00 N ATOM 674 CA ASN A 48 1.875 4.353 17.927 1.00 0.00 C ATOM 675 C ASN A 48 2.530 5.711 18.154 1.00 0.00 C ATOM 676 O ASN A 48 2.326 6.344 19.190 1.00 0.00 O ATOM 677 CB ASN A 48 0.545 4.285 18.680 1.00 0.00 C ATOM 678 CG ASN A 48 -0.619 4.778 17.842 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.131 5.877 18.054 1.00 0.00 O ATOM 680 ND2 ASN A 48 -1.042 3.964 16.881 1.00 0.00 N ATOM 0 H ASN A 48 3.112 2.692 17.594 1.00 0.00 H new ATOM 0 HA ASN A 48 1.688 4.234 16.860 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.357 3.257 18.989 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.614 4.883 19.589 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.821 4.242 16.284 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.588 3.062 16.741 1.00 0.00 H new ATOM 687 N ILE A 49 3.317 6.153 17.179 1.00 0.00 N ATOM 688 CA ILE A 49 4.000 7.438 17.271 1.00 0.00 C ATOM 689 C ILE A 49 3.034 8.592 17.022 1.00 0.00 C ATOM 690 O ILE A 49 1.988 8.414 16.397 1.00 0.00 O ATOM 691 CB ILE A 49 5.163 7.529 16.263 1.00 0.00 C ATOM 692 CG1 ILE A 49 6.138 6.368 16.470 1.00 0.00 C ATOM 693 CG2 ILE A 49 5.883 8.862 16.403 1.00 0.00 C ATOM 694 CD1 ILE A 49 7.084 6.156 15.308 1.00 0.00 C ATOM 0 H ILE A 49 3.498 5.640 16.316 1.00 0.00 H new ATOM 0 HA ILE A 49 4.399 7.514 18.282 1.00 0.00 H new ATOM 0 HB ILE A 49 4.755 7.462 15.254 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.720 6.550 17.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.570 5.453 16.637 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.701 8.911 15.685 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.183 9.675 16.212 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.281 8.956 17.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.745 5.317 15.525 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.510 5.942 14.406 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.679 7.056 15.154 1.00 0.00 H new ATOM 706 N SER A 50 3.390 9.774 17.515 1.00 0.00 N ATOM 707 CA SER A 50 2.553 10.957 17.346 1.00 0.00 C ATOM 708 C SER A 50 1.191 10.758 18.003 1.00 0.00 C ATOM 709 O SER A 50 0.196 11.354 17.587 1.00 0.00 O ATOM 710 CB SER A 50 2.375 11.273 15.862 1.00 0.00 C ATOM 711 OG SER A 50 3.175 12.376 15.475 1.00 0.00 O ATOM 0 H SER A 50 4.252 9.938 18.035 1.00 0.00 H new ATOM 0 HA SER A 50 3.051 11.796 17.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.642 10.400 15.267 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.327 11.490 15.657 1.00 0.00 H new ATOM 0 HG SER A 50 3.044 12.556 14.521 1.00 0.00 H new ATOM 717 N TYR A 51 1.152 9.919 19.033 1.00 0.00 N ATOM 718 CA TYR A 51 -0.088 9.641 19.747 1.00 0.00 C ATOM 719 C TYR A 51 -0.088 10.310 21.117 1.00 0.00 C ATOM 720 O TYR A 51 0.969 10.564 21.695 1.00 0.00 O ATOM 721 CB TYR A 51 -0.282 8.132 19.906 1.00 0.00 C ATOM 722 CG TYR A 51 -1.722 7.723 20.123 1.00 0.00 C ATOM 723 CD1 TYR A 51 -2.682 7.949 19.147 1.00 0.00 C ATOM 724 CD2 TYR A 51 -2.118 7.111 21.306 1.00 0.00 C ATOM 725 CE1 TYR A 51 -4.000 7.577 19.342 1.00 0.00 C ATOM 726 CE2 TYR A 51 -3.433 6.736 21.509 1.00 0.00 C ATOM 727 CZ TYR A 51 -4.369 6.971 20.524 1.00 0.00 C ATOM 728 OH TYR A 51 -5.680 6.600 20.723 1.00 0.00 O ATOM 0 H TYR A 51 1.966 9.420 19.392 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.913 10.048 19.163 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.099 7.630 19.017 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.316 7.785 20.749 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.396 8.423 18.220 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.387 6.925 22.079 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.736 7.760 18.573 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.726 6.262 22.434 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.772 6.185 21.606 1.00 0.00 H new ATOM 738 N ALA A 52 -1.281 10.593 21.632 1.00 0.00 N ATOM 739 CA ALA A 52 -1.418 11.232 22.936 1.00 0.00 C ATOM 740 C ALA A 52 -0.628 10.477 24.001 1.00 0.00 C ATOM 741 O ALA A 52 -0.732 9.256 24.115 1.00 0.00 O ATOM 742 CB ALA A 52 -2.884 11.324 23.327 1.00 0.00 C ATOM 0 H ALA A 52 -2.166 10.390 21.167 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.010 12.240 22.865 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.971 11.803 24.302 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.422 11.913 22.584 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.311 10.322 23.375 1.00 0.00 H new ATOM 748 N GLY A 53 0.161 11.211 24.779 1.00 0.00 N ATOM 749 CA GLY A 53 0.956 10.593 25.822 1.00 0.00 C ATOM 750 C GLY A 53 2.136 9.818 25.268 1.00 0.00 C ATOM 751 O GLY A 53 3.273 10.287 25.315 1.00 0.00 O ATOM 0 H GLY A 53 0.263 12.223 24.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.318 11.363 26.503 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.326 9.922 26.406 1.00 0.00 H new ATOM 755 N GLN A 54 1.865 8.629 24.742 1.00 0.00 N ATOM 756 CA GLN A 54 2.912 7.788 24.175 1.00 0.00 C ATOM 757 C GLN A 54 3.899 7.344 25.250 1.00 0.00 C ATOM 758 O GLN A 54 5.078 7.129 24.974 1.00 0.00 O ATOM 759 CB GLN A 54 3.653 8.540 23.068 1.00 0.00 C ATOM 760 CG GLN A 54 3.924 7.692 21.835 1.00 0.00 C ATOM 761 CD GLN A 54 5.384 7.713 21.423 1.00 0.00 C ATOM 762 OE1 GLN A 54 6.234 7.105 22.073 1.00 0.00 O ATOM 763 NE2 GLN A 54 5.681 8.413 20.333 1.00 0.00 N ATOM 0 H GLN A 54 0.929 8.226 24.696 1.00 0.00 H new ATOM 0 HA GLN A 54 2.440 6.901 23.753 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.068 9.412 22.778 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.600 8.908 23.461 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.620 6.664 22.032 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.312 8.053 21.009 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.944 8.902 19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.646 8.461 20.005 1.00 0.00 H new ATOM 772 N GLY A 55 3.408 7.209 26.478 1.00 0.00 N ATOM 773 CA GLY A 55 4.261 6.790 27.575 1.00 0.00 C ATOM 774 C GLY A 55 4.204 5.293 27.812 1.00 0.00 C ATOM 775 O GLY A 55 4.016 4.844 28.943 1.00 0.00 O ATOM 0 H GLY A 55 2.436 7.382 26.733 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.290 7.083 27.364 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.961 7.311 28.484 1.00 0.00 H new ATOM 779 N VAL A 56 4.367 4.520 26.744 1.00 0.00 N ATOM 780 CA VAL A 56 4.333 3.066 26.840 1.00 0.00 C ATOM 781 C VAL A 56 5.315 2.427 25.864 1.00 0.00 C ATOM 782 O VAL A 56 5.589 2.974 24.796 1.00 0.00 O ATOM 783 CB VAL A 56 2.921 2.518 26.563 1.00 0.00 C ATOM 784 CG1 VAL A 56 2.462 2.905 25.166 1.00 0.00 C ATOM 785 CG2 VAL A 56 2.888 1.008 26.744 1.00 0.00 C ATOM 0 H VAL A 56 4.524 4.877 25.801 1.00 0.00 H new ATOM 0 HA VAL A 56 4.620 2.810 27.860 1.00 0.00 H new ATOM 0 HB VAL A 56 2.232 2.961 27.282 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.462 2.509 24.989 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.443 3.991 25.077 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.151 2.493 24.429 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.882 0.639 26.544 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.589 0.543 26.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.169 0.758 27.767 1.00 0.00 H new ATOM 795 N ARG A 57 5.843 1.266 26.239 1.00 0.00 N ATOM 796 CA ARG A 57 6.794 0.551 25.398 1.00 0.00 C ATOM 797 C ARG A 57 6.356 -0.896 25.190 1.00 0.00 C ATOM 798 O ARG A 57 6.577 -1.751 26.048 1.00 0.00 O ATOM 799 CB ARG A 57 8.189 0.591 26.026 1.00 0.00 C ATOM 800 CG ARG A 57 8.787 1.987 26.091 1.00 0.00 C ATOM 801 CD ARG A 57 9.032 2.424 27.528 1.00 0.00 C ATOM 802 NE ARG A 57 9.124 3.876 27.650 1.00 0.00 N ATOM 803 CZ ARG A 57 9.445 4.500 28.779 1.00 0.00 C ATOM 804 NH1 ARG A 57 9.703 3.803 29.877 1.00 0.00 N ATOM 805 NH2 ARG A 57 9.509 5.824 28.811 1.00 0.00 N ATOM 0 H ARG A 57 5.627 0.801 27.121 1.00 0.00 H new ATOM 0 HA ARG A 57 6.826 1.043 24.426 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.136 0.180 27.034 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.855 -0.054 25.453 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.726 2.007 25.539 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.116 2.694 25.604 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.224 2.057 28.161 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.954 1.970 27.893 1.00 0.00 H new ATOM 0 HE ARG A 57 8.931 4.442 26.824 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.656 2.784 29.857 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.949 4.286 30.741 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.312 6.365 27.969 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.755 6.302 29.678 1.00 0.00 H new ATOM 819 N VAL A 58 5.733 -1.161 24.047 1.00 0.00 N ATOM 820 CA VAL A 58 5.258 -2.503 23.728 1.00 0.00 C ATOM 821 C VAL A 58 6.291 -3.273 22.908 1.00 0.00 C ATOM 822 O VAL A 58 5.949 -4.201 22.175 1.00 0.00 O ATOM 823 CB VAL A 58 3.929 -2.459 22.957 1.00 0.00 C ATOM 824 CG1 VAL A 58 4.107 -1.761 21.616 1.00 0.00 C ATOM 825 CG2 VAL A 58 3.368 -3.860 22.769 1.00 0.00 C ATOM 0 H VAL A 58 5.545 -0.465 23.326 1.00 0.00 H new ATOM 0 HA VAL A 58 5.099 -3.017 24.676 1.00 0.00 H new ATOM 0 HB VAL A 58 3.213 -1.885 23.545 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.154 -1.741 21.087 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.452 -0.740 21.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.842 -2.301 21.019 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.427 -3.805 22.221 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.080 -4.465 22.208 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.194 -4.316 23.744 1.00 0.00 H new ATOM 835 N GLU A 59 7.554 -2.883 23.039 1.00 0.00 N ATOM 836 CA GLU A 59 8.637 -3.537 22.313 1.00 0.00 C ATOM 837 C GLU A 59 8.441 -3.407 20.806 1.00 0.00 C ATOM 838 O GLU A 59 8.528 -4.390 20.071 1.00 0.00 O ATOM 839 CB GLU A 59 8.722 -5.014 22.701 1.00 0.00 C ATOM 840 CG GLU A 59 8.435 -5.275 24.171 1.00 0.00 C ATOM 841 CD GLU A 59 8.878 -6.655 24.616 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.479 -7.645 23.968 1.00 0.00 O ATOM 843 OE2 GLU A 59 9.626 -6.745 25.613 1.00 0.00 O ATOM 0 H GLU A 59 7.854 -2.117 23.642 1.00 0.00 H new ATOM 0 HA GLU A 59 9.570 -3.043 22.584 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.015 -5.581 22.095 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.718 -5.387 22.462 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.942 -4.523 24.775 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.366 -5.164 24.354 1.00 0.00 H new ATOM 850 N GLY A 60 8.180 -2.186 20.353 1.00 0.00 N ATOM 851 CA GLY A 60 7.986 -1.945 18.937 1.00 0.00 C ATOM 852 C GLY A 60 9.021 -0.998 18.366 1.00 0.00 C ATOM 853 O GLY A 60 9.848 -1.393 17.543 1.00 0.00 O ATOM 0 H GLY A 60 8.099 -1.358 20.943 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.029 -2.893 18.401 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.990 -1.532 18.774 1.00 0.00 H new ATOM 857 N SER A 61 8.974 0.256 18.803 1.00 0.00 N ATOM 858 CA SER A 61 9.916 1.267 18.340 1.00 0.00 C ATOM 859 C SER A 61 10.023 1.266 16.817 1.00 0.00 C ATOM 860 O SER A 61 11.043 1.671 16.258 1.00 0.00 O ATOM 861 CB SER A 61 11.295 1.029 18.959 1.00 0.00 C ATOM 862 OG SER A 61 11.803 -0.243 18.596 1.00 0.00 O ATOM 0 H SER A 61 8.291 0.597 19.480 1.00 0.00 H new ATOM 0 HA SER A 61 9.543 2.242 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.984 1.807 18.630 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.227 1.101 20.045 1.00 0.00 H new ATOM 0 HG SER A 61 11.237 -0.634 17.898 1.00 0.00 H new ATOM 868 N SER A 62 8.966 0.813 16.151 1.00 0.00 N ATOM 869 CA SER A 62 8.945 0.768 14.693 1.00 0.00 C ATOM 870 C SER A 62 7.639 0.170 14.177 1.00 0.00 C ATOM 871 O SER A 62 7.008 -0.641 14.854 1.00 0.00 O ATOM 872 CB SER A 62 10.125 -0.050 14.168 1.00 0.00 C ATOM 873 OG SER A 62 10.679 -0.862 15.188 1.00 0.00 O ATOM 0 H SER A 62 8.114 0.472 16.596 1.00 0.00 H new ATOM 0 HA SER A 62 9.024 1.793 14.329 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.796 -0.677 13.339 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.890 0.620 13.777 1.00 0.00 H new ATOM 0 HG SER A 62 9.965 -1.170 15.785 1.00 0.00 H new ATOM 879 N PRO A 63 7.265 0.499 12.929 1.00 0.00 N ATOM 880 CA PRO A 63 6.030 0.029 12.320 1.00 0.00 C ATOM 881 C PRO A 63 6.232 -1.175 11.407 1.00 0.00 C ATOM 882 O PRO A 63 7.200 -1.241 10.647 1.00 0.00 O ATOM 883 CB PRO A 63 5.615 1.238 11.497 1.00 0.00 C ATOM 884 CG PRO A 63 6.909 1.785 10.999 1.00 0.00 C ATOM 885 CD PRO A 63 7.941 1.478 12.060 1.00 0.00 C ATOM 0 HA PRO A 63 5.304 -0.308 13.060 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.956 0.957 10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.077 1.969 12.101 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.183 1.329 10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.836 2.859 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.852 1.066 11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.227 2.373 12.612 1.00 0.00 H new ATOM 893 N SER A 64 5.298 -2.114 11.476 1.00 0.00 N ATOM 894 CA SER A 64 5.329 -3.307 10.636 1.00 0.00 C ATOM 895 C SER A 64 4.190 -3.261 9.633 1.00 0.00 C ATOM 896 O SER A 64 3.274 -2.456 9.765 1.00 0.00 O ATOM 897 CB SER A 64 5.231 -4.573 11.490 1.00 0.00 C ATOM 898 OG SER A 64 4.840 -4.264 12.818 1.00 0.00 O ATOM 0 H SER A 64 4.501 -2.072 12.111 1.00 0.00 H new ATOM 0 HA SER A 64 6.277 -3.330 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.511 -5.260 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.194 -5.084 11.501 1.00 0.00 H new ATOM 0 HG SER A 64 4.783 -5.090 13.343 1.00 0.00 H new ATOM 904 N LEU A 65 4.260 -4.108 8.620 1.00 0.00 N ATOM 905 CA LEU A 65 3.245 -4.114 7.582 1.00 0.00 C ATOM 906 C LEU A 65 2.468 -5.426 7.605 1.00 0.00 C ATOM 907 O LEU A 65 3.040 -6.493 7.825 1.00 0.00 O ATOM 908 CB LEU A 65 3.887 -3.919 6.204 1.00 0.00 C ATOM 909 CG LEU A 65 2.997 -4.275 4.998 1.00 0.00 C ATOM 910 CD1 LEU A 65 3.349 -3.410 3.798 1.00 0.00 C ATOM 911 CD2 LEU A 65 3.121 -5.747 4.634 1.00 0.00 C ATOM 0 H LEU A 65 5.003 -4.795 8.495 1.00 0.00 H new ATOM 0 HA LEU A 65 2.557 -3.290 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.195 -2.878 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.792 -4.524 6.156 1.00 0.00 H new ATOM 0 HG LEU A 65 1.963 -4.080 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.709 -3.677 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.198 -2.360 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.392 -3.572 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.481 -5.966 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.156 -5.973 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.815 -6.359 5.483 1.00 0.00 H new ATOM 923 N PHE A 66 1.160 -5.337 7.414 1.00 0.00 N ATOM 924 CA PHE A 66 0.325 -6.525 7.352 1.00 0.00 C ATOM 925 C PHE A 66 0.087 -6.880 5.895 1.00 0.00 C ATOM 926 O PHE A 66 -0.604 -6.159 5.181 1.00 0.00 O ATOM 927 CB PHE A 66 -1.007 -6.284 8.066 1.00 0.00 C ATOM 928 CG PHE A 66 -1.985 -7.412 7.905 1.00 0.00 C ATOM 929 CD1 PHE A 66 -1.852 -8.573 8.650 1.00 0.00 C ATOM 930 CD2 PHE A 66 -3.036 -7.313 7.007 1.00 0.00 C ATOM 931 CE1 PHE A 66 -2.750 -9.614 8.504 1.00 0.00 C ATOM 932 CE2 PHE A 66 -3.937 -8.350 6.856 1.00 0.00 C ATOM 933 CZ PHE A 66 -3.793 -9.501 7.606 1.00 0.00 C ATOM 0 H PHE A 66 0.656 -4.457 7.300 1.00 0.00 H new ATOM 0 HA PHE A 66 0.829 -7.351 7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.818 -6.126 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.455 -5.367 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.037 -8.666 9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.152 -6.415 6.418 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.636 -10.513 9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.752 -8.261 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.496 -10.313 7.490 1.00 0.00 H new ATOM 943 N VAL A 67 0.663 -7.989 5.460 1.00 0.00 N ATOM 944 CA VAL A 67 0.589 -8.381 4.063 1.00 0.00 C ATOM 945 C VAL A 67 -0.464 -9.457 3.824 1.00 0.00 C ATOM 946 O VAL A 67 -0.939 -10.097 4.762 1.00 0.00 O ATOM 947 CB VAL A 67 1.961 -8.864 3.569 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.351 -10.168 4.253 1.00 0.00 C ATOM 949 CG2 VAL A 67 1.974 -9.017 2.057 1.00 0.00 C ATOM 0 H VAL A 67 1.186 -8.633 6.054 1.00 0.00 H new ATOM 0 HA VAL A 67 0.291 -7.499 3.495 1.00 0.00 H new ATOM 0 HB VAL A 67 2.701 -8.108 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.326 -10.493 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.399 -10.013 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.607 -10.933 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.957 -9.360 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.220 -9.745 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.755 -8.056 1.592 1.00 0.00 H new ATOM 959 N ARG A 68 -0.839 -9.630 2.561 1.00 0.00 N ATOM 960 CA ARG A 68 -1.877 -10.587 2.195 1.00 0.00 C ATOM 961 C ARG A 68 -1.399 -12.032 2.326 1.00 0.00 C ATOM 962 O ARG A 68 -2.171 -12.909 2.713 1.00 0.00 O ATOM 963 CB ARG A 68 -2.357 -10.324 0.767 1.00 0.00 C ATOM 964 CG ARG A 68 -3.853 -10.525 0.585 1.00 0.00 C ATOM 965 CD ARG A 68 -4.653 -9.475 1.341 1.00 0.00 C ATOM 966 NE ARG A 68 -6.058 -9.848 1.472 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.511 -10.709 2.379 1.00 0.00 C ATOM 968 NH1 ARG A 68 -5.669 -11.282 3.229 1.00 0.00 N ATOM 969 NH2 ARG A 68 -7.803 -10.997 2.437 1.00 0.00 N ATOM 0 H ARG A 68 -0.439 -9.120 1.773 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.705 -10.450 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.099 -9.303 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.824 -10.986 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.101 -10.479 -0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.133 -11.519 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.221 -9.334 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.578 -8.519 0.822 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.730 -9.425 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.674 -11.062 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.017 -11.942 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.453 -10.558 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.147 -11.658 3.134 1.00 0.00 H new ATOM 983 N THR A 69 -0.135 -12.285 1.999 1.00 0.00 N ATOM 984 CA THR A 69 0.405 -13.639 2.080 1.00 0.00 C ATOM 985 C THR A 69 1.833 -13.645 2.637 1.00 0.00 C ATOM 986 O THR A 69 2.022 -13.634 3.854 1.00 0.00 O ATOM 987 CB THR A 69 0.353 -14.314 0.706 1.00 0.00 C ATOM 988 OG1 THR A 69 0.452 -13.351 -0.329 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.914 -15.109 0.476 1.00 0.00 C ATOM 0 H THR A 69 0.528 -11.579 1.679 1.00 0.00 H new ATOM 0 HA THR A 69 -0.216 -14.207 2.773 1.00 0.00 H new ATOM 0 HB THR A 69 1.199 -15.001 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.419 -13.801 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.885 -15.560 -0.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.993 -15.893 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.777 -14.447 0.549 1.00 0.00 H new ATOM 997 N ASP A 70 2.839 -13.676 1.759 1.00 0.00 N ATOM 998 CA ASP A 70 4.229 -13.709 2.205 1.00 0.00 C ATOM 999 C ASP A 70 5.170 -13.084 1.178 1.00 0.00 C ATOM 1000 O ASP A 70 6.381 -13.303 1.227 1.00 0.00 O ATOM 1001 CB ASP A 70 4.657 -15.151 2.486 1.00 0.00 C ATOM 1002 CG ASP A 70 4.507 -16.047 1.272 1.00 0.00 C ATOM 1003 OD1 ASP A 70 3.622 -15.768 0.435 1.00 0.00 O ATOM 1004 OD2 ASP A 70 5.271 -17.028 1.160 1.00 0.00 O ATOM 0 H ASP A 70 2.717 -13.679 0.746 1.00 0.00 H new ATOM 0 HA ASP A 70 4.293 -13.121 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.696 -15.161 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.060 -15.551 3.305 1.00 0.00 H new ATOM 1009 N GLU A 71 4.619 -12.304 0.253 1.00 0.00 N ATOM 1010 CA GLU A 71 5.434 -11.640 -0.755 1.00 0.00 C ATOM 1011 C GLU A 71 6.414 -10.690 -0.084 1.00 0.00 C ATOM 1012 O GLU A 71 7.609 -10.701 -0.378 1.00 0.00 O ATOM 1013 CB GLU A 71 4.554 -10.878 -1.747 1.00 0.00 C ATOM 1014 CG GLU A 71 5.019 -11.005 -3.190 1.00 0.00 C ATOM 1015 CD GLU A 71 4.108 -10.281 -4.162 1.00 0.00 C ATOM 1016 OE1 GLU A 71 2.873 -10.388 -4.010 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.630 -9.603 -5.073 1.00 0.00 O ATOM 0 H GLU A 71 3.619 -12.118 0.182 1.00 0.00 H new ATOM 0 HA GLU A 71 5.991 -12.398 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.531 -11.245 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.537 -9.824 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.029 -10.606 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.068 -12.060 -3.461 1.00 0.00 H new ATOM 1024 N VAL A 72 5.905 -9.896 0.854 1.00 0.00 N ATOM 1025 CA VAL A 72 6.742 -8.967 1.601 1.00 0.00 C ATOM 1026 C VAL A 72 7.946 -9.691 2.186 1.00 0.00 C ATOM 1027 O VAL A 72 9.030 -9.119 2.307 1.00 0.00 O ATOM 1028 CB VAL A 72 5.966 -8.286 2.737 1.00 0.00 C ATOM 1029 CG1 VAL A 72 4.986 -7.271 2.172 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.257 -9.325 3.591 1.00 0.00 C ATOM 0 H VAL A 72 4.919 -9.878 1.113 1.00 0.00 H new ATOM 0 HA VAL A 72 7.073 -8.200 0.901 1.00 0.00 H new ATOM 0 HB VAL A 72 6.670 -7.753 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.443 -6.796 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.531 -6.513 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.280 -7.775 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.711 -8.827 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.559 -9.889 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.992 -10.005 4.021 1.00 0.00 H new ATOM 1040 N ARG A 73 7.756 -10.964 2.520 1.00 0.00 N ATOM 1041 CA ARG A 73 8.844 -11.783 3.035 1.00 0.00 C ATOM 1042 C ARG A 73 9.985 -11.805 2.027 1.00 0.00 C ATOM 1043 O ARG A 73 11.159 -11.838 2.393 1.00 0.00 O ATOM 1044 CB ARG A 73 8.355 -13.207 3.304 1.00 0.00 C ATOM 1045 CG ARG A 73 9.135 -13.922 4.394 1.00 0.00 C ATOM 1046 CD ARG A 73 10.443 -14.487 3.863 1.00 0.00 C ATOM 1047 NE ARG A 73 11.500 -14.460 4.870 1.00 0.00 N ATOM 1048 CZ ARG A 73 12.697 -15.008 4.693 1.00 0.00 C ATOM 1049 NH1 ARG A 73 12.986 -15.621 3.553 1.00 0.00 N ATOM 1050 NH2 ARG A 73 13.607 -14.943 5.655 1.00 0.00 N ATOM 0 H ARG A 73 6.861 -11.448 2.443 1.00 0.00 H new ATOM 0 HA ARG A 73 9.199 -11.355 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.302 -13.174 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.421 -13.785 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.341 -13.229 5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.530 -14.729 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.286 -15.513 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.758 -13.914 2.991 1.00 0.00 H new ATOM 0 HE ARG A 73 11.309 -13.995 5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.289 -15.672 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.906 -16.041 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.388 -14.472 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.526 -15.364 5.517 1.00 0.00 H new ATOM 1064 N GLN A 74 9.615 -11.762 0.751 1.00 0.00 N ATOM 1065 CA GLN A 74 10.585 -11.739 -0.337 1.00 0.00 C ATOM 1066 C GLN A 74 11.166 -10.338 -0.509 1.00 0.00 C ATOM 1067 O GLN A 74 12.239 -10.170 -1.088 1.00 0.00 O ATOM 1068 CB GLN A 74 9.923 -12.198 -1.639 1.00 0.00 C ATOM 1069 CG GLN A 74 8.859 -13.266 -1.437 1.00 0.00 C ATOM 1070 CD GLN A 74 8.782 -14.242 -2.596 1.00 0.00 C ATOM 1071 OE1 GLN A 74 9.544 -15.206 -2.661 1.00 0.00 O ATOM 1072 NE2 GLN A 74 7.856 -13.996 -3.516 1.00 0.00 N ATOM 0 H GLN A 74 8.642 -11.742 0.444 1.00 0.00 H new ATOM 0 HA GLN A 74 11.398 -12.422 -0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.472 -11.336 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.690 -12.583 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.070 -13.814 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.889 -12.787 -1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.246 -13.184 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.755 -14.619 -4.317 1.00 0.00 H new ATOM 1081 N LEU A 75 10.451 -9.338 0.008 1.00 0.00 N ATOM 1082 CA LEU A 75 10.893 -7.952 -0.042 1.00 0.00 C ATOM 1083 C LEU A 75 12.147 -7.760 0.810 1.00 0.00 C ATOM 1084 O LEU A 75 12.127 -7.043 1.808 1.00 0.00 O ATOM 1085 CB LEU A 75 9.771 -7.059 0.473 1.00 0.00 C ATOM 1086 CG LEU A 75 9.521 -5.788 -0.316 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.651 -4.858 0.499 1.00 0.00 C ATOM 1088 CD2 LEU A 75 10.826 -5.115 -0.715 1.00 0.00 C ATOM 0 H LEU A 75 9.552 -9.470 0.471 1.00 0.00 H new ATOM 0 HA LEU A 75 11.136 -7.686 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.849 -7.640 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.995 -6.786 1.504 1.00 0.00 H new ATOM 0 HG LEU A 75 9.002 -6.042 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.469 -3.943 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.701 -5.346 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.155 -4.614 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.610 -4.208 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.392 -4.860 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.412 -5.795 -1.333 1.00 0.00 H new ATOM 1100 N ARG A 76 13.225 -8.438 0.435 1.00 0.00 N ATOM 1101 CA ARG A 76 14.471 -8.373 1.186 1.00 0.00 C ATOM 1102 C ARG A 76 14.955 -6.934 1.333 1.00 0.00 C ATOM 1103 O ARG A 76 14.572 -6.056 0.562 1.00 0.00 O ATOM 1104 CB ARG A 76 15.540 -9.227 0.501 1.00 0.00 C ATOM 1105 CG ARG A 76 15.123 -10.678 0.302 1.00 0.00 C ATOM 1106 CD ARG A 76 15.566 -11.551 1.464 1.00 0.00 C ATOM 1107 NE ARG A 76 17.021 -11.588 1.599 1.00 0.00 N ATOM 1108 CZ ARG A 76 17.812 -12.338 0.838 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.290 -13.107 -0.108 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.125 -12.318 1.022 1.00 0.00 N ATOM 0 H ARG A 76 13.260 -9.041 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 76 14.286 -8.766 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.777 -8.789 -0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.453 -9.198 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.040 -10.735 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.554 -11.058 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.126 -11.175 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.190 -12.564 1.320 1.00 0.00 H new ATOM 0 HE ARG A 76 17.453 -11.006 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.280 -13.124 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.898 -13.682 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.529 -11.727 1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.731 -12.894 0.437 1.00 0.00 H new ATOM 1124 N ARG A 77 15.796 -6.702 2.340 1.00 0.00 N ATOM 1125 CA ARG A 77 16.329 -5.370 2.609 1.00 0.00 C ATOM 1126 C ARG A 77 16.834 -4.706 1.332 1.00 0.00 C ATOM 1127 O ARG A 77 17.082 -5.374 0.328 1.00 0.00 O ATOM 1128 CB ARG A 77 17.462 -5.453 3.633 1.00 0.00 C ATOM 1129 CG ARG A 77 17.618 -4.195 4.473 1.00 0.00 C ATOM 1130 CD ARG A 77 18.195 -4.507 5.844 1.00 0.00 C ATOM 1131 NE ARG A 77 19.586 -4.079 5.962 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.270 -4.105 7.100 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.694 -4.539 8.214 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.533 -3.699 7.127 1.00 0.00 N ATOM 0 H ARG A 77 16.123 -7.422 2.984 1.00 0.00 H new ATOM 0 HA ARG A 77 15.520 -4.761 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.282 -6.301 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.398 -5.649 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.268 -3.489 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.648 -3.710 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.597 -4.013 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.128 -5.579 6.030 1.00 0.00 H new ATOM 0 HE ARG A 77 20.059 -3.741 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.724 -4.854 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.221 -4.558 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.980 -3.366 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.057 -3.720 8.002 1.00 0.00 H new ATOM 1148 N GLY A 78 16.981 -3.386 1.378 1.00 0.00 N ATOM 1149 CA GLY A 78 17.452 -2.650 0.220 1.00 0.00 C ATOM 1150 C GLY A 78 16.457 -2.672 -0.923 1.00 0.00 C ATOM 1151 O GLY A 78 16.843 -2.747 -2.090 1.00 0.00 O ATOM 0 H GLY A 78 16.782 -2.813 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.650 -1.617 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.398 -3.075 -0.117 1.00 0.00 H new ATOM 1155 N ASP A 79 15.171 -2.606 -0.589 1.00 0.00 N ATOM 1156 CA ASP A 79 14.120 -2.622 -1.599 1.00 0.00 C ATOM 1157 C ASP A 79 13.140 -1.471 -1.392 1.00 0.00 C ATOM 1158 O ASP A 79 12.651 -1.249 -0.285 1.00 0.00 O ATOM 1159 CB ASP A 79 13.371 -3.957 -1.561 1.00 0.00 C ATOM 1160 CG ASP A 79 14.224 -5.114 -2.042 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.386 -4.873 -2.430 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.731 -6.261 -2.030 1.00 0.00 O ATOM 0 H ASP A 79 14.833 -2.541 0.371 1.00 0.00 H new ATOM 0 HA ASP A 79 14.590 -2.500 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.038 -4.154 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.477 -3.886 -2.181 1.00 0.00 H new ATOM 1167 N THR A 80 12.856 -0.744 -2.469 1.00 0.00 N ATOM 1168 CA THR A 80 11.922 0.375 -2.414 1.00 0.00 C ATOM 1169 C THR A 80 10.558 -0.039 -2.956 1.00 0.00 C ATOM 1170 O THR A 80 10.471 -0.751 -3.957 1.00 0.00 O ATOM 1171 CB THR A 80 12.466 1.560 -3.214 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.661 2.051 -2.630 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.493 2.714 -3.315 1.00 0.00 C ATOM 0 H THR A 80 13.260 -0.910 -3.391 1.00 0.00 H new ATOM 0 HA THR A 80 11.807 0.675 -1.373 1.00 0.00 H new ATOM 0 HB THR A 80 12.646 1.173 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.995 2.807 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.943 3.520 -3.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.580 2.378 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.254 3.077 -2.315 1.00 0.00 H new ATOM 1181 N LEU A 81 9.496 0.405 -2.292 1.00 0.00 N ATOM 1182 CA LEU A 81 8.147 0.044 -2.689 1.00 0.00 C ATOM 1183 C LEU A 81 7.246 1.276 -2.684 1.00 0.00 C ATOM 1184 O LEU A 81 7.587 2.297 -2.094 1.00 0.00 O ATOM 1185 CB LEU A 81 7.593 -1.042 -1.752 1.00 0.00 C ATOM 1186 CG LEU A 81 8.248 -1.083 -0.363 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.399 -1.856 0.635 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.645 -1.676 -0.446 1.00 0.00 C ATOM 0 H LEU A 81 9.547 1.016 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 81 8.171 -0.356 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.521 -0.885 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.721 -2.014 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 81 8.325 -0.056 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.895 -1.863 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.424 -1.379 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.270 -2.880 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.091 -1.696 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.587 -2.691 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.260 -1.066 -1.108 1.00 0.00 H new ATOM 1200 N THR A 82 6.135 1.200 -3.405 1.00 0.00 N ATOM 1201 CA THR A 82 5.206 2.324 -3.507 1.00 0.00 C ATOM 1202 C THR A 82 3.802 1.904 -3.084 1.00 0.00 C ATOM 1203 O THR A 82 3.296 0.887 -3.546 1.00 0.00 O ATOM 1204 CB THR A 82 5.183 2.826 -4.951 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.231 1.740 -5.859 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.338 3.739 -5.271 1.00 0.00 C ATOM 0 H THR A 82 5.853 0.372 -3.929 1.00 0.00 H new ATOM 0 HA THR A 82 5.540 3.121 -2.842 1.00 0.00 H new ATOM 0 HB THR A 82 4.252 3.384 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.214 2.081 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.269 4.063 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.306 4.610 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.276 3.205 -5.120 1.00 0.00 H new ATOM 1214 N ILE A 83 3.166 2.684 -2.209 1.00 0.00 N ATOM 1215 CA ILE A 83 1.823 2.326 -1.735 1.00 0.00 C ATOM 1216 C ILE A 83 0.774 3.419 -2.048 1.00 0.00 C ATOM 1217 O ILE A 83 0.622 3.790 -3.212 1.00 0.00 O ATOM 1218 CB ILE A 83 1.844 1.910 -0.241 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.495 1.362 0.220 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.299 3.047 0.646 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.597 -0.031 0.783 1.00 0.00 C ATOM 0 H ILE A 83 3.545 3.548 -1.820 1.00 0.00 H new ATOM 0 HA ILE A 83 1.502 1.450 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 83 2.571 1.103 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.077 2.026 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.199 1.360 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.301 2.719 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.306 3.352 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.619 3.891 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.391 -0.371 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.988 -0.704 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.268 -0.028 1.642 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.036 3.854 -1.067 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.037 4.864 -1.345 1.00 0.00 C ATOM 1235 C GLY A 84 -0.387 6.195 -1.616 1.00 0.00 C ATOM 1236 O GLY A 84 -0.853 6.983 -2.439 1.00 0.00 O ATOM 0 H GLY A 84 -0.010 3.524 -0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.635 4.564 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.718 4.952 -0.498 1.00 0.00 H new ATOM 1240 N GLU A 85 0.717 6.420 -0.921 1.00 0.00 N ATOM 1241 CA GLU A 85 1.562 7.561 -1.162 1.00 0.00 C ATOM 1242 C GLU A 85 2.756 7.098 -1.983 1.00 0.00 C ATOM 1243 O GLU A 85 3.834 7.692 -1.933 1.00 0.00 O ATOM 1244 CB GLU A 85 2.021 8.182 0.158 1.00 0.00 C ATOM 1245 CG GLU A 85 0.888 8.794 0.966 1.00 0.00 C ATOM 1246 CD GLU A 85 0.238 7.802 1.910 1.00 0.00 C ATOM 1247 OE1 GLU A 85 -0.001 6.650 1.492 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -0.031 8.177 3.072 1.00 0.00 O ATOM 0 H GLU A 85 1.046 5.810 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 85 1.009 8.327 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.513 7.417 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.765 8.951 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.272 9.637 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.134 9.189 0.285 1.00 0.00 H new ATOM 1255 N GLU A 86 2.546 6.000 -2.727 1.00 0.00 N ATOM 1256 CA GLU A 86 3.564 5.413 -3.578 1.00 0.00 C ATOM 1257 C GLU A 86 4.942 5.477 -2.937 1.00 0.00 C ATOM 1258 O GLU A 86 5.938 5.719 -3.615 1.00 0.00 O ATOM 1259 CB GLU A 86 3.562 6.104 -4.938 1.00 0.00 C ATOM 1260 CG GLU A 86 3.624 7.613 -4.845 1.00 0.00 C ATOM 1261 CD GLU A 86 3.462 8.288 -6.192 1.00 0.00 C ATOM 1262 OE1 GLU A 86 4.398 8.202 -7.015 1.00 0.00 O ATOM 1263 OE2 GLU A 86 2.400 8.902 -6.425 1.00 0.00 O ATOM 0 H GLU A 86 1.657 5.501 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 86 3.326 4.358 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.412 5.748 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.662 5.817 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.843 7.964 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.578 7.907 -4.408 1.00 0.00 H new ATOM 1270 N ASN A 87 4.994 5.359 -1.615 1.00 0.00 N ATOM 1271 CA ASN A 87 6.277 5.361 -0.942 1.00 0.00 C ATOM 1272 C ASN A 87 6.333 4.429 0.262 1.00 0.00 C ATOM 1273 O ASN A 87 5.846 4.762 1.342 1.00 0.00 O ATOM 1274 CB ASN A 87 6.652 6.775 -0.504 1.00 0.00 C ATOM 1275 CG ASN A 87 7.824 7.332 -1.288 1.00 0.00 C ATOM 1276 OD1 ASN A 87 8.803 7.803 -0.710 1.00 0.00 O ATOM 1277 ND2 ASN A 87 7.730 7.281 -2.612 1.00 0.00 N ATOM 0 H ASN A 87 4.182 5.263 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 87 6.996 4.988 -1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.791 7.431 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.898 6.770 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.488 7.641 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.900 6.882 -3.049 1.00 0.00 H new ATOM 1284 N PHE A 88 7.076 3.346 0.111 1.00 0.00 N ATOM 1285 CA PHE A 88 7.382 2.454 1.204 1.00 0.00 C ATOM 1286 C PHE A 88 8.815 1.998 1.079 1.00 0.00 C ATOM 1287 O PHE A 88 9.344 1.860 -0.024 1.00 0.00 O ATOM 1288 CB PHE A 88 6.472 1.227 1.239 1.00 0.00 C ATOM 1289 CG PHE A 88 5.346 1.352 2.202 1.00 0.00 C ATOM 1290 CD1 PHE A 88 5.555 1.920 3.432 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.098 0.869 1.891 1.00 0.00 C ATOM 1292 CE1 PHE A 88 4.521 2.048 4.340 1.00 0.00 C ATOM 1293 CE2 PHE A 88 3.054 0.984 2.789 1.00 0.00 C ATOM 1294 CZ PHE A 88 3.268 1.570 4.019 1.00 0.00 C ATOM 0 H PHE A 88 7.484 3.064 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 88 7.221 3.006 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.069 1.055 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.066 0.351 1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.541 2.272 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.931 0.395 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.693 2.520 5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.073 0.616 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.458 1.654 4.728 1.00 0.00 H new ATOM 1304 N TRP A 89 9.426 1.731 2.203 1.00 0.00 N ATOM 1305 CA TRP A 89 10.788 1.230 2.219 1.00 0.00 C ATOM 1306 C TRP A 89 10.892 0.052 3.161 1.00 0.00 C ATOM 1307 O TRP A 89 10.251 0.034 4.213 1.00 0.00 O ATOM 1308 CB TRP A 89 11.780 2.323 2.627 1.00 0.00 C ATOM 1309 CG TRP A 89 11.676 3.567 1.800 1.00 0.00 C ATOM 1310 CD1 TRP A 89 11.456 3.641 0.455 1.00 0.00 C ATOM 1311 CD2 TRP A 89 11.802 4.916 2.262 1.00 0.00 C ATOM 1312 NE1 TRP A 89 11.431 4.954 0.052 1.00 0.00 N ATOM 1313 CE2 TRP A 89 11.642 5.757 1.143 1.00 0.00 C ATOM 1314 CE3 TRP A 89 12.032 5.496 3.512 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 11.705 7.144 1.240 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 12.094 6.873 3.606 1.00 0.00 C ATOM 1317 CH2 TRP A 89 11.934 7.684 2.476 1.00 0.00 C ATOM 0 H TRP A 89 9.007 1.850 3.125 1.00 0.00 H new ATOM 0 HA TRP A 89 11.043 0.908 1.209 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.616 2.578 3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 89 12.793 1.929 2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.321 2.791 -0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 89 11.280 5.279 -0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 89 12.159 4.879 4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 11.578 7.772 0.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 12.269 7.332 4.568 1.00 0.00 H new ATOM 0 HH2 TRP A 89 11.993 8.757 2.582 1.00 0.00 H new ATOM 1328 N VAL A 90 11.691 -0.938 2.794 1.00 0.00 N ATOM 1329 CA VAL A 90 11.830 -2.100 3.642 1.00 0.00 C ATOM 1330 C VAL A 90 12.888 -1.836 4.692 1.00 0.00 C ATOM 1331 O VAL A 90 14.089 -1.835 4.418 1.00 0.00 O ATOM 1332 CB VAL A 90 12.206 -3.366 2.846 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.417 -4.544 3.786 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.136 -3.694 1.821 1.00 0.00 C ATOM 0 H VAL A 90 12.239 -0.958 1.934 1.00 0.00 H new ATOM 0 HA VAL A 90 10.862 -2.280 4.110 1.00 0.00 H new ATOM 0 HB VAL A 90 13.139 -3.171 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.682 -5.429 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.222 -4.313 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.499 -4.735 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.422 -4.591 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.187 -3.867 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.030 -2.861 1.126 1.00 0.00 H new ATOM 1344 N ASP A 91 12.411 -1.636 5.903 1.00 0.00 N ATOM 1345 CA ASP A 91 13.258 -1.397 7.048 1.00 0.00 C ATOM 1346 C ASP A 91 13.680 -2.719 7.693 1.00 0.00 C ATOM 1347 O ASP A 91 14.447 -2.736 8.655 1.00 0.00 O ATOM 1348 CB ASP A 91 12.489 -0.540 8.044 1.00 0.00 C ATOM 1349 CG ASP A 91 13.399 0.153 9.038 1.00 0.00 C ATOM 1350 OD1 ASP A 91 14.184 -0.546 9.713 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.327 1.395 9.142 1.00 0.00 O ATOM 0 H ASP A 91 11.414 -1.635 6.120 1.00 0.00 H new ATOM 0 HA ASP A 91 14.164 -0.879 6.734 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.910 0.209 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.777 -1.165 8.583 1.00 0.00 H new ATOM 1356 N ARG A 92 13.174 -3.823 7.134 1.00 0.00 N ATOM 1357 CA ARG A 92 13.457 -5.172 7.617 1.00 0.00 C ATOM 1358 C ARG A 92 14.890 -5.332 8.107 1.00 0.00 C ATOM 1359 O ARG A 92 15.770 -4.532 7.789 1.00 0.00 O ATOM 1360 CB ARG A 92 13.182 -6.182 6.502 1.00 0.00 C ATOM 1361 CG ARG A 92 11.704 -6.453 6.296 1.00 0.00 C ATOM 1362 CD ARG A 92 11.376 -7.921 6.522 1.00 0.00 C ATOM 1363 NE ARG A 92 11.727 -8.355 7.871 1.00 0.00 N ATOM 1364 CZ ARG A 92 11.697 -9.621 8.270 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.333 -10.576 7.425 1.00 0.00 N ATOM 1366 NH2 ARG A 92 12.031 -9.934 9.515 1.00 0.00 N ATOM 0 H ARG A 92 12.551 -3.802 6.326 1.00 0.00 H new ATOM 0 HA ARG A 92 12.802 -5.355 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.611 -5.812 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.688 -7.119 6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.120 -5.838 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.417 -6.165 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.312 -8.086 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.912 -8.529 5.794 1.00 0.00 H new ATOM 0 HE ARG A 92 12.012 -7.645 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.076 -10.338 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.310 -11.548 7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.311 -9.202 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.007 -10.907 9.820 1.00 0.00 H new ATOM 1380 N VAL A 93 15.115 -6.402 8.854 1.00 0.00 N ATOM 1381 CA VAL A 93 16.423 -6.671 9.437 1.00 0.00 C ATOM 1382 C VAL A 93 16.854 -8.109 9.167 1.00 0.00 C ATOM 1383 O VAL A 93 17.958 -8.356 8.679 1.00 0.00 O ATOM 1384 CB VAL A 93 16.417 -6.420 10.961 1.00 0.00 C ATOM 1385 CG1 VAL A 93 17.810 -6.038 11.442 1.00 0.00 C ATOM 1386 CG2 VAL A 93 15.402 -5.341 11.330 1.00 0.00 C ATOM 0 H VAL A 93 14.406 -7.102 9.072 1.00 0.00 H new ATOM 0 HA VAL A 93 17.132 -5.989 8.968 1.00 0.00 H new ATOM 0 HB VAL A 93 16.122 -7.343 11.459 1.00 0.00 H new ATOM 0 HG11 VAL A 93 17.789 -5.865 12.518 1.00 0.00 H new ATOM 0 HG12 VAL A 93 18.506 -6.846 11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 93 18.134 -5.129 10.934 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.416 -5.182 12.408 1.00 0.00 H new ATOM 0 HG22 VAL A 93 15.659 -4.411 10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.406 -5.659 11.023 1.00 0.00 H new ATOM 1396 N SER A 94 15.971 -9.052 9.480 1.00 0.00 N ATOM 1397 CA SER A 94 16.250 -10.466 9.262 1.00 0.00 C ATOM 1398 C SER A 94 17.602 -10.861 9.850 1.00 0.00 C ATOM 1399 O SER A 94 18.533 -11.195 9.119 1.00 0.00 O ATOM 1400 CB SER A 94 16.221 -10.787 7.767 1.00 0.00 C ATOM 1401 OG SER A 94 17.260 -10.111 7.079 1.00 0.00 O ATOM 0 H SER A 94 15.055 -8.861 9.886 1.00 0.00 H new ATOM 0 HA SER A 94 15.476 -11.041 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.324 -11.862 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.256 -10.499 7.349 1.00 0.00 H new ATOM 0 HG SER A 94 17.918 -9.779 7.725 1.00 0.00 H new ATOM 1407 N PRO A 95 17.723 -10.842 11.189 1.00 0.00 N ATOM 1408 CA PRO A 95 18.965 -11.209 11.876 1.00 0.00 C ATOM 1409 C PRO A 95 19.284 -12.692 11.721 1.00 0.00 C ATOM 1410 O PRO A 95 20.449 -13.093 11.740 1.00 0.00 O ATOM 1411 CB PRO A 95 18.688 -10.876 13.350 1.00 0.00 C ATOM 1412 CG PRO A 95 17.450 -10.040 13.347 1.00 0.00 C ATOM 1413 CD PRO A 95 16.668 -10.462 12.138 1.00 0.00 C ATOM 0 HA PRO A 95 19.825 -10.678 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.547 -11.783 13.937 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.524 -10.336 13.794 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.873 -10.195 14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.696 -8.979 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 95 16.001 -11.296 12.358 1.00 0.00 H new ATOM 0 HD3 PRO A 95 16.049 -9.652 11.753 1.00 0.00 H new ATOM 1421 N ASP A 96 18.241 -13.501 11.567 1.00 0.00 N ATOM 1422 CA ASP A 96 18.404 -14.941 11.408 1.00 0.00 C ATOM 1423 C ASP A 96 17.047 -15.634 11.333 1.00 0.00 C ATOM 1424 O ASP A 96 16.004 -14.994 11.466 1.00 0.00 O ATOM 1425 CB ASP A 96 19.216 -15.513 12.571 1.00 0.00 C ATOM 1426 CG ASP A 96 18.780 -14.953 13.910 1.00 0.00 C ATOM 1427 OD1 ASP A 96 17.682 -14.364 13.979 1.00 0.00 O ATOM 1428 OD2 ASP A 96 19.538 -15.105 14.893 1.00 0.00 O ATOM 0 H ASP A 96 17.272 -13.183 11.549 1.00 0.00 H new ATOM 0 HA ASP A 96 18.939 -15.122 10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 96 19.113 -16.598 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 96 20.272 -15.294 12.415 1.00 0.00 H new ATOM 1433 N ASP A 97 17.067 -16.946 11.119 1.00 0.00 N ATOM 1434 CA ASP A 97 15.837 -17.724 11.025 1.00 0.00 C ATOM 1435 C ASP A 97 15.152 -17.829 12.384 1.00 0.00 C ATOM 1436 O ASP A 97 15.813 -17.933 13.418 1.00 0.00 O ATOM 1437 CB ASP A 97 16.136 -19.122 10.482 1.00 0.00 C ATOM 1438 CG ASP A 97 17.246 -19.815 11.245 1.00 0.00 C ATOM 1439 OD1 ASP A 97 17.764 -19.218 12.212 1.00 0.00 O ATOM 1440 OD2 ASP A 97 17.598 -20.956 10.877 1.00 0.00 O ATOM 0 H ASP A 97 17.921 -17.492 11.007 1.00 0.00 H new ATOM 0 HA ASP A 97 15.163 -17.210 10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.232 -19.729 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 97 16.413 -19.048 9.430 1.00 0.00 H new ATOM 1445 N GLY A 98 13.823 -17.801 12.374 1.00 0.00 N ATOM 1446 CA GLY A 98 13.070 -17.894 13.611 1.00 0.00 C ATOM 1447 C GLY A 98 11.669 -17.331 13.479 1.00 0.00 C ATOM 1448 O GLY A 98 10.768 -17.999 12.974 1.00 0.00 O ATOM 0 H GLY A 98 13.254 -17.716 11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.011 -18.938 13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.601 -17.358 14.398 1.00 0.00 H new ATOM 1452 N GLY A 99 11.485 -16.095 13.934 1.00 0.00 N ATOM 1453 CA GLY A 99 10.183 -15.461 13.855 1.00 0.00 C ATOM 1454 C GLY A 99 9.936 -14.809 12.508 1.00 0.00 C ATOM 1455 O GLY A 99 9.450 -15.453 11.579 1.00 0.00 O ATOM 0 H GLY A 99 12.215 -15.522 14.356 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.408 -16.204 14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.100 -14.709 14.640 1.00 0.00 H new ATOM 1459 N SER A 100 10.275 -13.528 12.401 1.00 0.00 N ATOM 1460 CA SER A 100 10.088 -12.790 11.157 1.00 0.00 C ATOM 1461 C SER A 100 8.620 -12.779 10.745 1.00 0.00 C ATOM 1462 O SER A 100 7.736 -13.083 11.545 1.00 0.00 O ATOM 1463 CB SER A 100 10.935 -13.409 10.043 1.00 0.00 C ATOM 1464 OG SER A 100 11.819 -12.453 9.483 1.00 0.00 O ATOM 0 H SER A 100 10.680 -12.980 13.160 1.00 0.00 H new ATOM 0 HA SER A 100 10.408 -11.761 11.322 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.506 -14.248 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.284 -13.806 9.265 1.00 0.00 H new ATOM 0 HG SER A 100 12.667 -12.464 9.974 1.00 0.00 H new ATOM 1470 N CYS A 101 8.369 -12.435 9.483 1.00 0.00 N ATOM 1471 CA CYS A 101 7.009 -12.388 8.947 1.00 0.00 C ATOM 1472 C CYS A 101 6.277 -11.130 9.404 1.00 0.00 C ATOM 1473 O CYS A 101 5.059 -11.141 9.586 1.00 0.00 O ATOM 1474 CB CYS A 101 6.216 -13.630 9.365 1.00 0.00 C ATOM 1475 SG CYS A 101 7.128 -15.182 9.191 1.00 0.00 S ATOM 0 H CYS A 101 9.093 -12.184 8.810 1.00 0.00 H new ATOM 0 HA CYS A 101 7.087 -12.367 7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 101 5.907 -13.518 10.404 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.307 -13.686 8.766 1.00 0.00 H new ATOM 0 HG CYS A 101 8.030 -15.263 10.124 1.00 0.00 H new ATOM 1481 N HIS A 102 7.023 -10.044 9.577 1.00 0.00 N ATOM 1482 CA HIS A 102 6.434 -8.770 9.983 1.00 0.00 C ATOM 1483 C HIS A 102 6.774 -7.688 8.984 1.00 0.00 C ATOM 1484 O HIS A 102 5.911 -6.922 8.557 1.00 0.00 O ATOM 1485 CB HIS A 102 6.923 -8.329 11.376 1.00 0.00 C ATOM 1486 CG HIS A 102 7.568 -9.414 12.184 1.00 0.00 C ATOM 1487 ND1 HIS A 102 6.852 -10.409 12.816 1.00 0.00 N ATOM 1488 CD2 HIS A 102 8.871 -9.651 12.469 1.00 0.00 C ATOM 1489 CE1 HIS A 102 7.686 -11.213 13.452 1.00 0.00 C ATOM 1490 NE2 HIS A 102 8.916 -10.775 13.256 1.00 0.00 N ATOM 0 H HIS A 102 8.034 -10.019 9.443 1.00 0.00 H new ATOM 0 HA HIS A 102 5.355 -8.919 10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.635 -7.512 11.255 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.076 -7.933 11.935 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.716 -9.065 12.139 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.409 -12.080 14.033 1.00 0.00 H new ATOM 0 HE2 HIS A 102 9.763 -11.203 13.629 1.00 0.00 H new ATOM 1499 N LEU A 103 8.042 -7.626 8.632 1.00 0.00 N ATOM 1500 CA LEU A 103 8.525 -6.614 7.721 1.00 0.00 C ATOM 1501 C LEU A 103 8.271 -5.227 8.296 1.00 0.00 C ATOM 1502 O LEU A 103 7.141 -4.839 8.590 1.00 0.00 O ATOM 1503 CB LEU A 103 7.919 -6.807 6.323 1.00 0.00 C ATOM 1504 CG LEU A 103 6.554 -6.172 6.043 1.00 0.00 C ATOM 1505 CD1 LEU A 103 6.636 -5.273 4.816 1.00 0.00 C ATOM 1506 CD2 LEU A 103 5.499 -7.251 5.844 1.00 0.00 C ATOM 0 H LEU A 103 8.759 -8.270 8.967 1.00 0.00 H new ATOM 0 HA LEU A 103 9.604 -6.716 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.627 -6.414 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.834 -7.878 6.140 1.00 0.00 H new ATOM 0 HG LEU A 103 6.267 -5.564 6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.660 -4.827 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.368 -4.484 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.939 -5.864 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.534 -6.784 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.778 -7.881 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.429 -7.862 6.744 1.00 0.00 H new ATOM 1518 N TRP A 104 9.359 -4.542 8.582 1.00 0.00 N ATOM 1519 CA TRP A 104 9.309 -3.230 9.187 1.00 0.00 C ATOM 1520 C TRP A 104 9.491 -2.173 8.105 1.00 0.00 C ATOM 1521 O TRP A 104 10.425 -2.246 7.311 1.00 0.00 O ATOM 1522 CB TRP A 104 10.384 -3.176 10.277 1.00 0.00 C ATOM 1523 CG TRP A 104 10.814 -1.804 10.700 1.00 0.00 C ATOM 1524 CD1 TRP A 104 10.161 -0.624 10.496 1.00 0.00 C ATOM 1525 CD2 TRP A 104 12.023 -1.479 11.397 1.00 0.00 C ATOM 1526 NE1 TRP A 104 10.891 0.414 11.028 1.00 0.00 N ATOM 1527 CE2 TRP A 104 12.032 -0.086 11.593 1.00 0.00 C ATOM 1528 CE3 TRP A 104 13.096 -2.234 11.880 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 13.077 0.567 12.241 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 14.130 -1.584 12.528 1.00 0.00 C ATOM 1531 CH2 TRP A 104 14.114 -0.196 12.703 1.00 0.00 C ATOM 0 H TRP A 104 10.304 -4.881 8.401 1.00 0.00 H new ATOM 0 HA TRP A 104 8.346 -3.029 9.656 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.013 -3.707 11.154 1.00 0.00 H new ATOM 0 HB3 TRP A 104 11.261 -3.718 9.924 1.00 0.00 H new ATOM 0 HD1 TRP A 104 9.212 -0.520 9.992 1.00 0.00 H new ATOM 0 HE1 TRP A 104 10.624 1.398 11.005 1.00 0.00 H new ATOM 0 HE3 TRP A 104 13.117 -3.306 11.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.069 1.639 12.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 14.964 -2.157 12.905 1.00 0.00 H new ATOM 0 HH2 TRP A 104 14.937 0.283 13.213 1.00 0.00 H new ATOM 1542 N LEU A 105 8.512 -1.281 7.983 1.00 0.00 N ATOM 1543 CA LEU A 105 8.478 -0.327 6.881 1.00 0.00 C ATOM 1544 C LEU A 105 9.199 0.986 7.167 1.00 0.00 C ATOM 1545 O LEU A 105 9.273 1.447 8.305 1.00 0.00 O ATOM 1546 CB LEU A 105 7.036 0.006 6.536 1.00 0.00 C ATOM 1547 CG LEU A 105 6.135 -1.195 6.311 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.521 -1.637 7.629 1.00 0.00 C ATOM 1549 CD2 LEU A 105 5.072 -0.846 5.298 1.00 0.00 C ATOM 0 H LEU A 105 7.732 -1.200 8.635 1.00 0.00 H new ATOM 0 HA LEU A 105 8.998 -0.816 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.616 0.610 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.027 0.622 5.637 1.00 0.00 H new ATOM 0 HG LEU A 105 6.721 -2.027 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.876 -2.499 7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.313 -1.909 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.933 -0.821 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.426 -1.709 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.477 -0.011 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.545 -0.566 4.357 1.00 0.00 H new ATOM 1561 N GLY A 106 9.598 1.638 6.078 1.00 0.00 N ATOM 1562 CA GLY A 106 10.175 2.969 6.129 1.00 0.00 C ATOM 1563 C GLY A 106 9.538 3.852 5.066 1.00 0.00 C ATOM 1564 O GLY A 106 9.710 3.608 3.873 1.00 0.00 O ATOM 0 H GLY A 106 9.528 1.253 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.020 3.404 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.252 2.914 5.971 1.00 0.00 H new ATOM 1568 N ARG A 107 8.740 4.834 5.482 1.00 0.00 N ATOM 1569 CA ARG A 107 7.996 5.657 4.528 1.00 0.00 C ATOM 1570 C ARG A 107 8.670 6.993 4.244 1.00 0.00 C ATOM 1571 O ARG A 107 9.432 7.515 5.057 1.00 0.00 O ATOM 1572 CB ARG A 107 6.575 5.909 5.039 1.00 0.00 C ATOM 1573 CG ARG A 107 5.652 4.721 4.845 1.00 0.00 C ATOM 1574 CD ARG A 107 4.646 4.956 3.721 1.00 0.00 C ATOM 1575 NE ARG A 107 3.295 5.155 4.236 1.00 0.00 N ATOM 1576 CZ ARG A 107 2.252 5.457 3.471 1.00 0.00 C ATOM 1577 NH1 ARG A 107 2.407 5.595 2.162 1.00 0.00 N ATOM 1578 NH2 ARG A 107 1.054 5.619 4.015 1.00 0.00 N ATOM 0 H ARG A 107 8.592 5.078 6.461 1.00 0.00 H new ATOM 0 HA ARG A 107 7.969 5.097 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.616 6.160 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.158 6.773 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.245 3.834 4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.118 4.521 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.946 5.829 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.654 4.104 3.042 1.00 0.00 H new ATOM 0 HE ARG A 107 3.143 5.057 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.328 5.469 1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.606 5.827 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.932 5.512 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.254 5.851 3.427 1.00 0.00 H new ATOM 1592 N GLY A 108 8.350 7.543 3.075 1.00 0.00 N ATOM 1593 CA GLY A 108 8.868 8.834 2.670 1.00 0.00 C ATOM 1594 C GLY A 108 7.850 9.600 1.846 1.00 0.00 C ATOM 1595 O GLY A 108 8.183 10.189 0.818 1.00 0.00 O ATOM 0 H GLY A 108 7.730 7.106 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.136 9.414 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.780 8.697 2.090 1.00 0.00 H new ATOM 1599 N VAL A 109 6.596 9.556 2.297 1.00 0.00 N ATOM 1600 CA VAL A 109 5.479 10.206 1.606 1.00 0.00 C ATOM 1601 C VAL A 109 5.881 11.528 0.949 1.00 0.00 C ATOM 1602 O VAL A 109 5.942 12.565 1.610 1.00 0.00 O ATOM 1603 CB VAL A 109 4.311 10.470 2.577 1.00 0.00 C ATOM 1604 CG1 VAL A 109 4.772 11.323 3.748 1.00 0.00 C ATOM 1605 CG2 VAL A 109 3.148 11.127 1.851 1.00 0.00 C ATOM 0 H VAL A 109 6.325 9.069 3.151 1.00 0.00 H new ATOM 0 HA VAL A 109 5.167 9.516 0.822 1.00 0.00 H new ATOM 0 HB VAL A 109 3.967 9.513 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.934 11.499 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.567 10.805 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 109 5.146 12.278 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.334 11.305 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.474 12.076 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.801 10.472 1.052 1.00 0.00 H new ATOM 1615 N PRO A 110 6.110 11.516 -0.376 1.00 0.00 N ATOM 1616 CA PRO A 110 6.455 12.719 -1.128 1.00 0.00 C ATOM 1617 C PRO A 110 5.212 13.512 -1.520 1.00 0.00 C ATOM 1618 O PRO A 110 4.091 13.119 -1.197 1.00 0.00 O ATOM 1619 CB PRO A 110 7.143 12.152 -2.365 1.00 0.00 C ATOM 1620 CG PRO A 110 6.460 10.849 -2.604 1.00 0.00 C ATOM 1621 CD PRO A 110 6.038 10.329 -1.250 1.00 0.00 C ATOM 0 HA PRO A 110 7.072 13.414 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.036 12.819 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.212 12.016 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 110 5.596 10.978 -3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 110 7.130 10.145 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 110 5.031 9.914 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 110 6.700 9.536 -0.902 1.00 0.00 H new ATOM 1629 N PRO A 111 5.387 14.635 -2.235 1.00 0.00 N ATOM 1630 CA PRO A 111 4.267 15.474 -2.669 1.00 0.00 C ATOM 1631 C PRO A 111 3.429 14.802 -3.743 1.00 0.00 C ATOM 1632 O PRO A 111 2.201 14.884 -3.735 1.00 0.00 O ATOM 1633 CB PRO A 111 4.942 16.734 -3.233 1.00 0.00 C ATOM 1634 CG PRO A 111 6.378 16.643 -2.830 1.00 0.00 C ATOM 1635 CD PRO A 111 6.679 15.182 -2.665 1.00 0.00 C ATOM 0 HA PRO A 111 3.579 15.680 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.843 16.778 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.480 17.637 -2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 111 7.023 17.090 -3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 111 6.556 17.184 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.020 14.731 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.459 15.010 -1.923 1.00 0.00 H new ATOM 1643 N ALA A 112 4.104 14.129 -4.658 1.00 0.00 N ATOM 1644 CA ALA A 112 3.447 13.467 -5.763 1.00 0.00 C ATOM 1645 C ALA A 112 2.863 12.120 -5.352 1.00 0.00 C ATOM 1646 O ALA A 112 3.543 11.095 -5.401 1.00 0.00 O ATOM 1647 CB ALA A 112 4.429 13.299 -6.905 1.00 0.00 C ATOM 0 H ALA A 112 5.119 14.028 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 112 2.613 14.089 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.935 12.800 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.784 14.278 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.275 12.698 -6.572 1.00 0.00 H new ATOM 1653 N VAL A 113 1.591 12.129 -4.967 1.00 0.00 N ATOM 1654 CA VAL A 113 0.899 10.908 -4.570 1.00 0.00 C ATOM 1655 C VAL A 113 -0.199 10.554 -5.575 1.00 0.00 C ATOM 1656 O VAL A 113 -0.621 9.401 -5.665 1.00 0.00 O ATOM 1657 CB VAL A 113 0.287 11.042 -3.159 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.569 12.296 -3.065 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.523 9.802 -2.791 1.00 0.00 C ATOM 0 H VAL A 113 1.017 12.971 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 113 1.638 10.107 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 113 1.104 11.130 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.992 12.374 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.046 13.173 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.376 12.242 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.942 9.924 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.331 9.669 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.125 8.926 -2.808 1.00 0.00 H new ATOM 1669 N ASN A 114 -0.647 11.550 -6.337 1.00 0.00 N ATOM 1670 CA ASN A 114 -1.688 11.340 -7.335 1.00 0.00 C ATOM 1671 C ASN A 114 -2.956 10.795 -6.691 1.00 0.00 C ATOM 1672 O ASN A 114 -3.323 9.638 -6.896 1.00 0.00 O ATOM 1673 CB ASN A 114 -1.201 10.381 -8.422 1.00 0.00 C ATOM 1674 CG ASN A 114 -0.539 11.106 -9.576 1.00 0.00 C ATOM 1675 OD1 ASN A 114 -0.544 12.336 -9.637 1.00 0.00 O ATOM 1676 ND2 ASN A 114 0.037 10.348 -10.501 1.00 0.00 N ATOM 0 H ASN A 114 -0.304 12.509 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 114 -1.917 12.304 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -0.495 9.673 -7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.045 9.801 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.498 10.781 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.018 9.332 -10.412 1.00 0.00 H new ATOM 1683 N ARG A 115 -3.624 11.638 -5.911 1.00 0.00 N ATOM 1684 CA ARG A 115 -4.853 11.244 -5.235 1.00 0.00 C ATOM 1685 C ARG A 115 -5.975 11.013 -6.241 1.00 0.00 C ATOM 1686 O ARG A 115 -6.636 11.955 -6.676 1.00 0.00 O ATOM 1687 CB ARG A 115 -5.268 12.316 -4.225 1.00 0.00 C ATOM 1688 CG ARG A 115 -4.191 12.636 -3.201 1.00 0.00 C ATOM 1689 CD ARG A 115 -3.603 14.021 -3.422 1.00 0.00 C ATOM 1690 NE ARG A 115 -3.129 14.619 -2.176 1.00 0.00 N ATOM 1691 CZ ARG A 115 -2.695 15.871 -2.077 1.00 0.00 C ATOM 1692 NH1 ARG A 115 -2.676 16.655 -3.146 1.00 0.00 N ATOM 1693 NH2 ARG A 115 -2.279 16.340 -0.909 1.00 0.00 N ATOM 0 H ARG A 115 -3.334 12.599 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.666 10.309 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -5.529 13.228 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.166 11.984 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.612 12.575 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.399 11.890 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.777 13.955 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.357 14.668 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.131 14.043 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.995 16.297 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.343 17.616 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.292 15.740 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.946 17.301 -0.835 1.00 0.00 H new ATOM 1707 N ARG A 116 -6.179 9.753 -6.610 1.00 0.00 N ATOM 1708 CA ARG A 116 -7.220 9.395 -7.566 1.00 0.00 C ATOM 1709 C ARG A 116 -8.601 9.733 -7.016 1.00 0.00 C ATOM 1710 O ARG A 116 -9.001 9.237 -5.962 1.00 0.00 O ATOM 1711 CB ARG A 116 -7.143 7.904 -7.901 1.00 0.00 C ATOM 1712 CG ARG A 116 -6.060 7.563 -8.911 1.00 0.00 C ATOM 1713 CD ARG A 116 -6.171 8.424 -10.158 1.00 0.00 C ATOM 1714 NE ARG A 116 -5.171 9.488 -10.178 1.00 0.00 N ATOM 1715 CZ ARG A 116 -5.217 10.524 -11.010 1.00 0.00 C ATOM 1716 NH1 ARG A 116 -6.208 10.632 -11.884 1.00 0.00 N ATOM 1717 NH2 ARG A 116 -4.270 11.452 -10.968 1.00 0.00 N ATOM 0 H ARG A 116 -5.637 8.962 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.059 9.973 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.963 7.343 -6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -8.107 7.577 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.079 7.704 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -6.136 6.511 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.052 7.798 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.168 8.862 -10.209 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.395 9.433 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.937 9.919 -11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.241 11.428 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -3.506 11.371 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -4.306 12.247 -11.607 1.00 0.00 H new ATOM 1731 N ARG A 117 -9.327 10.583 -7.736 1.00 0.00 N ATOM 1732 CA ARG A 117 -10.665 10.986 -7.320 1.00 0.00 C ATOM 1733 C ARG A 117 -11.313 11.885 -8.369 1.00 0.00 C ATOM 1734 O ARG A 117 -12.533 11.742 -8.597 1.00 0.00 O ATOM 1735 CB ARG A 117 -10.606 11.716 -5.976 1.00 0.00 C ATOM 1736 CG ARG A 117 -9.551 12.808 -5.923 1.00 0.00 C ATOM 1737 CD ARG A 117 -9.826 13.793 -4.798 1.00 0.00 C ATOM 1738 NE ARG A 117 -9.932 13.128 -3.503 1.00 0.00 N ATOM 1739 CZ ARG A 117 -9.804 13.757 -2.339 1.00 0.00 C ATOM 1740 NH1 ARG A 117 -9.565 15.061 -2.312 1.00 0.00 N ATOM 1741 NH2 ARG A 117 -9.915 13.084 -1.203 1.00 0.00 N ATOM 1742 OXT ARG A 117 -10.597 12.725 -8.951 1.00 0.00 O ATOM 0 H ARG A 117 -9.011 11.005 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 117 -11.271 10.086 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -11.582 12.155 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -10.407 10.991 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -8.568 12.359 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -9.527 13.339 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -9.027 14.533 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -10.750 14.332 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 117 -10.114 12.125 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -9.479 15.582 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -9.467 15.543 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -10.099 12.081 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -9.816 13.569 -0.311 1.00 0.00 H new TER 1756 ARG A 117