USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 854 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 64 SER OG : rot -144:sc= 1.16 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.466 F(o=-0.96,f=0.7) USER MOD Set 2.1: A 80 THR OG1 : rot 140:sc= -6.39! USER MOD Set 2.2: A 87 ASN :FLIP amide:sc= -4.11! C(o=-14!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.818 (180deg=0.799) USER MOD Single : A 6 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -100:sc= -4.14! USER MOD Single : A 26 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 70:sc= 0.912 USER MOD Single : A 31 SER OG : rot -61:sc= -2.25! USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 35 SER OG : rot 26:sc= 0.0223 USER MOD Single : A 48 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 50 SER OG : rot 54:sc= 0.0135 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.148 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 69 THR OG1 : rot 28:sc= -1.11 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot -110:sc= -2.59! USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.160 -46.511 13.706 1.00 23.44 N ATOM 2 CA MET A 1 41.250 -47.003 14.733 1.00 22.44 C ATOM 3 C MET A 1 41.393 -48.512 14.908 1.00 21.41 C ATOM 4 O MET A 1 41.301 -49.269 13.942 1.00 24.52 O ATOM 5 CB MET A 1 39.805 -46.654 14.374 1.00 20.25 C ATOM 6 CG MET A 1 39.387 -45.262 14.822 1.00 32.30 C ATOM 7 SD MET A 1 40.080 -43.961 13.785 1.00 30.12 S ATOM 8 CE MET A 1 39.335 -42.508 14.521 1.00 13.15 C ATOM 0 H1 MET A 1 41.975 -45.502 13.532 1.00 23.44 H new ATOM 0 H2 MET A 1 43.142 -46.633 14.025 1.00 23.44 H new ATOM 0 H3 MET A 1 42.013 -47.046 12.827 1.00 23.44 H new ATOM 0 HA MET A 1 41.509 -46.520 15.675 1.00 22.44 H new ATOM 0 HB2 MET A 1 39.678 -46.733 13.294 1.00 20.25 H new ATOM 0 HB3 MET A 1 39.139 -47.388 14.827 1.00 20.25 H new ATOM 0 HG2 MET A 1 38.299 -45.192 14.808 1.00 32.30 H new ATOM 0 HG3 MET A 1 39.703 -45.106 15.853 1.00 32.30 H new ATOM 0 HE1 MET A 1 39.668 -41.618 13.987 1.00 13.15 H new ATOM 0 HE2 MET A 1 38.250 -42.584 14.458 1.00 13.15 H new ATOM 0 HE3 MET A 1 39.633 -42.436 15.567 1.00 13.15 H new ATOM 18 N ALA A 2 41.616 -48.941 16.146 1.00 61.34 N ATOM 19 CA ALA A 2 41.770 -50.359 16.447 1.00 43.54 C ATOM 20 C ALA A 2 42.833 -50.997 15.559 1.00 21.32 C ATOM 21 O ALA A 2 42.619 -52.066 14.988 1.00 73.13 O ATOM 22 CB ALA A 2 40.440 -51.080 16.281 1.00 31.21 C ATOM 0 H ALA A 2 41.694 -48.327 16.957 1.00 61.34 H new ATOM 0 HA ALA A 2 42.096 -50.452 17.483 1.00 43.54 H new ATOM 0 HB1 ALA A 2 40.569 -52.138 16.509 1.00 31.21 H new ATOM 0 HB2 ALA A 2 39.705 -50.649 16.961 1.00 31.21 H new ATOM 0 HB3 ALA A 2 40.092 -50.970 15.254 1.00 31.21 H new ATOM 28 N ASP A 3 43.979 -50.334 15.448 1.00 21.21 N ATOM 29 CA ASP A 3 45.077 -50.836 14.630 1.00 63.12 C ATOM 30 C ASP A 3 46.303 -51.132 15.488 1.00 62.32 C ATOM 31 O ASP A 3 46.522 -50.492 16.518 1.00 60.35 O ATOM 32 CB ASP A 3 45.435 -49.824 13.540 1.00 53.32 C ATOM 33 CG ASP A 3 45.803 -48.468 14.108 1.00 2.43 C ATOM 34 OD1 ASP A 3 44.880 -47.685 14.419 1.00 62.00 O ATOM 35 OD2 ASP A 3 47.013 -48.188 14.241 1.00 40.12 O ATOM 0 H ASP A 3 44.172 -49.448 15.914 1.00 21.21 H new ATOM 0 HA ASP A 3 44.751 -51.764 14.160 1.00 63.12 H new ATOM 0 HB2 ASP A 3 46.269 -50.207 12.952 1.00 53.32 H new ATOM 0 HB3 ASP A 3 44.591 -49.713 12.860 1.00 53.32 H new ATOM 40 N PHE A 4 47.099 -52.106 15.059 1.00 65.10 N ATOM 41 CA PHE A 4 48.302 -52.488 15.789 1.00 3.01 C ATOM 42 C PHE A 4 49.151 -53.456 14.970 1.00 42.04 C ATOM 43 O PHE A 4 48.630 -54.219 14.155 1.00 24.43 O ATOM 44 CB PHE A 4 47.930 -53.127 17.129 1.00 64.22 C ATOM 45 CG PHE A 4 49.119 -53.577 17.928 1.00 71.10 C ATOM 46 CD1 PHE A 4 50.089 -52.670 18.322 1.00 74.14 C ATOM 47 CD2 PHE A 4 49.265 -54.908 18.287 1.00 1.22 C ATOM 48 CE1 PHE A 4 51.185 -53.082 19.058 1.00 52.44 C ATOM 49 CE2 PHE A 4 50.358 -55.326 19.022 1.00 21.22 C ATOM 50 CZ PHE A 4 51.318 -54.412 19.409 1.00 63.01 C ATOM 0 H PHE A 4 46.932 -52.645 14.209 1.00 65.10 H new ATOM 0 HA PHE A 4 48.886 -51.586 15.974 1.00 3.01 H new ATOM 0 HB2 PHE A 4 47.357 -52.411 17.717 1.00 64.22 H new ATOM 0 HB3 PHE A 4 47.280 -53.983 16.947 1.00 64.22 H new ATOM 0 HD1 PHE A 4 49.988 -51.629 18.051 1.00 74.14 H new ATOM 0 HD2 PHE A 4 48.516 -55.627 17.989 1.00 1.22 H new ATOM 0 HE1 PHE A 4 51.936 -52.366 19.358 1.00 52.44 H new ATOM 0 HE2 PHE A 4 50.461 -56.366 19.293 1.00 21.22 H new ATOM 0 HZ PHE A 4 52.172 -54.736 19.985 1.00 63.01 H new ATOM 60 N ASP A 5 50.460 -53.418 15.191 1.00 4.00 N ATOM 61 CA ASP A 5 51.382 -54.291 14.474 1.00 41.13 C ATOM 62 C ASP A 5 52.644 -54.539 15.294 1.00 33.30 C ATOM 63 O ASP A 5 52.989 -53.751 16.175 1.00 51.33 O ATOM 64 CB ASP A 5 51.749 -53.680 13.121 1.00 25.50 C ATOM 65 CG ASP A 5 50.617 -53.769 12.119 1.00 41.43 C ATOM 66 OD1 ASP A 5 50.208 -54.900 11.782 1.00 64.51 O ATOM 67 OD2 ASP A 5 50.137 -52.707 11.671 1.00 3.22 O ATOM 0 H ASP A 5 50.907 -52.792 15.861 1.00 4.00 H new ATOM 0 HA ASP A 5 50.884 -55.247 14.309 1.00 41.13 H new ATOM 0 HB2 ASP A 5 52.025 -52.635 13.261 1.00 25.50 H new ATOM 0 HB3 ASP A 5 52.625 -54.190 12.721 1.00 25.50 H new ATOM 72 N ASN A 6 53.329 -55.639 15.000 1.00 10.11 N ATOM 73 CA ASN A 6 54.552 -55.992 15.711 1.00 63.20 C ATOM 74 C ASN A 6 55.217 -57.210 15.079 1.00 20.21 C ATOM 75 O ASN A 6 54.543 -58.151 14.656 1.00 33.04 O ATOM 76 CB ASN A 6 54.247 -56.270 17.185 1.00 23.41 C ATOM 77 CG ASN A 6 53.587 -57.619 17.394 1.00 60.13 C ATOM 78 OD1 ASN A 6 54.258 -58.617 17.657 1.00 52.21 O ATOM 79 ND2 ASN A 6 52.265 -57.655 17.276 1.00 10.02 N ATOM 0 H ASN A 6 53.058 -56.302 14.274 1.00 10.11 H new ATOM 0 HA ASN A 6 55.239 -55.149 15.642 1.00 63.20 H new ATOM 0 HB2 ASN A 6 55.173 -56.229 17.759 1.00 23.41 H new ATOM 0 HB3 ASN A 6 53.596 -55.486 17.573 1.00 23.41 H new ATOM 0 HD21 ASN A 6 51.765 -58.535 17.405 1.00 10.02 H new ATOM 0 HD22 ASN A 6 51.749 -56.803 17.057 1.00 10.02 H new ATOM 86 N LEU A 7 56.544 -57.187 15.017 1.00 71.44 N ATOM 87 CA LEU A 7 57.302 -58.291 14.437 1.00 31.21 C ATOM 88 C LEU A 7 58.015 -59.093 15.522 1.00 1.34 C ATOM 89 O LEU A 7 58.042 -58.693 16.686 1.00 70.13 O ATOM 90 CB LEU A 7 58.321 -57.760 13.427 1.00 70.51 C ATOM 91 CG LEU A 7 57.804 -56.716 12.438 1.00 63.41 C ATOM 92 CD1 LEU A 7 58.890 -56.340 11.442 1.00 3.33 C ATOM 93 CD2 LEU A 7 56.569 -57.233 11.713 1.00 25.23 C ATOM 0 H LEU A 7 57.117 -56.417 15.361 1.00 71.44 H new ATOM 0 HA LEU A 7 56.601 -58.951 13.925 1.00 31.21 H new ATOM 0 HB2 LEU A 7 59.157 -57.327 13.977 1.00 70.51 H new ATOM 0 HB3 LEU A 7 58.715 -58.604 12.861 1.00 70.51 H new ATOM 0 HG LEU A 7 57.526 -55.822 12.996 1.00 63.41 H new ATOM 0 HD11 LEU A 7 58.503 -55.596 10.746 1.00 3.33 H new ATOM 0 HD12 LEU A 7 59.746 -55.928 11.976 1.00 3.33 H new ATOM 0 HD13 LEU A 7 59.200 -57.227 10.889 1.00 3.33 H new ATOM 0 HD21 LEU A 7 56.215 -56.476 11.013 1.00 25.23 H new ATOM 0 HD22 LEU A 7 56.821 -58.142 11.168 1.00 25.23 H new ATOM 0 HD23 LEU A 7 55.786 -57.451 12.439 1.00 25.23 H new ATOM 105 N PHE A 8 58.591 -60.225 15.132 1.00 41.33 N ATOM 106 CA PHE A 8 59.305 -61.082 16.070 1.00 31.34 C ATOM 107 C PHE A 8 60.689 -61.438 15.538 1.00 22.15 C ATOM 108 O PHE A 8 61.020 -62.612 15.374 1.00 64.11 O ATOM 109 CB PHE A 8 58.506 -62.358 16.338 1.00 55.14 C ATOM 110 CG PHE A 8 58.843 -63.015 17.647 1.00 43.42 C ATOM 111 CD1 PHE A 8 58.335 -62.518 18.836 1.00 71.54 C ATOM 112 CD2 PHE A 8 59.666 -64.128 17.686 1.00 44.11 C ATOM 113 CE1 PHE A 8 58.644 -63.119 20.042 1.00 61.55 C ATOM 114 CE2 PHE A 8 59.979 -64.734 18.888 1.00 22.11 C ATOM 115 CZ PHE A 8 59.466 -64.230 20.068 1.00 40.03 C ATOM 0 H PHE A 8 58.577 -60.570 14.172 1.00 41.33 H new ATOM 0 HA PHE A 8 59.425 -60.533 17.004 1.00 31.34 H new ATOM 0 HB2 PHE A 8 57.442 -62.120 16.323 1.00 55.14 H new ATOM 0 HB3 PHE A 8 58.686 -63.066 15.529 1.00 55.14 H new ATOM 0 HD1 PHE A 8 57.690 -61.652 18.821 1.00 71.54 H new ATOM 0 HD2 PHE A 8 60.068 -64.527 16.766 1.00 44.11 H new ATOM 0 HE1 PHE A 8 58.244 -62.721 20.963 1.00 61.55 H new ATOM 0 HE2 PHE A 8 60.624 -65.600 18.905 1.00 22.11 H new ATOM 0 HZ PHE A 8 59.707 -64.703 21.009 1.00 40.03 H new ATOM 125 N ASP A 9 61.494 -60.415 15.269 1.00 32.24 N ATOM 126 CA ASP A 9 62.844 -60.618 14.755 1.00 54.53 C ATOM 127 C ASP A 9 63.883 -60.054 15.718 1.00 4.31 C ATOM 128 O ASP A 9 63.808 -58.891 16.116 1.00 51.40 O ATOM 129 CB ASP A 9 62.993 -59.963 13.381 1.00 10.44 C ATOM 130 CG ASP A 9 61.770 -60.162 12.509 1.00 43.23 C ATOM 131 OD1 ASP A 9 61.650 -61.241 11.891 1.00 43.12 O ATOM 132 OD2 ASP A 9 60.931 -59.239 12.443 1.00 3.54 O ATOM 0 H ASP A 9 61.235 -59.437 15.398 1.00 32.24 H new ATOM 0 HA ASP A 9 63.012 -61.691 14.657 1.00 54.53 H new ATOM 0 HB2 ASP A 9 63.175 -58.896 13.508 1.00 10.44 H new ATOM 0 HB3 ASP A 9 63.866 -60.377 12.877 1.00 10.44 H new ATOM 137 N ALA A 10 64.851 -60.884 16.090 1.00 54.11 N ATOM 138 CA ALA A 10 65.906 -60.467 17.006 1.00 75.22 C ATOM 139 C ALA A 10 66.824 -59.440 16.353 1.00 71.40 C ATOM 140 O ALA A 10 67.257 -59.615 15.215 1.00 51.11 O ATOM 141 CB ALA A 10 66.706 -61.674 17.472 1.00 64.40 C ATOM 0 H ALA A 10 64.927 -61.850 15.771 1.00 54.11 H new ATOM 0 HA ALA A 10 65.439 -59.998 17.872 1.00 75.22 H new ATOM 0 HB1 ALA A 10 67.490 -61.349 18.155 1.00 64.40 H new ATOM 0 HB2 ALA A 10 66.045 -62.373 17.985 1.00 64.40 H new ATOM 0 HB3 ALA A 10 67.157 -62.167 16.610 1.00 64.40 H new ATOM 147 N ALA A 11 67.118 -58.368 17.083 1.00 53.43 N ATOM 148 CA ALA A 11 67.986 -57.313 16.575 1.00 64.24 C ATOM 149 C ALA A 11 68.478 -56.416 17.705 1.00 4.21 C ATOM 150 O ALA A 11 67.931 -56.436 18.808 1.00 20.31 O ATOM 151 CB ALA A 11 67.258 -56.490 15.523 1.00 54.10 C ATOM 0 H ALA A 11 66.768 -58.208 18.027 1.00 53.43 H new ATOM 0 HA ALA A 11 68.855 -57.782 16.114 1.00 64.24 H new ATOM 0 HB1 ALA A 11 67.919 -55.706 15.153 1.00 54.10 H new ATOM 0 HB2 ALA A 11 66.962 -57.136 14.696 1.00 54.10 H new ATOM 0 HB3 ALA A 11 66.370 -56.038 15.965 1.00 54.10 H new ATOM 157 N ILE A 12 69.512 -55.631 17.424 1.00 51.52 N ATOM 158 CA ILE A 12 70.076 -54.725 18.417 1.00 33.23 C ATOM 159 C ILE A 12 70.117 -53.293 17.896 1.00 45.20 C ATOM 160 O ILE A 12 71.190 -52.717 17.714 1.00 35.42 O ATOM 161 CB ILE A 12 71.500 -55.152 18.824 1.00 54.52 C ATOM 162 CG1 ILE A 12 71.528 -56.642 19.170 1.00 33.42 C ATOM 163 CG2 ILE A 12 71.986 -54.320 20.000 1.00 41.22 C ATOM 164 CD1 ILE A 12 72.072 -57.511 18.057 1.00 71.40 C ATOM 0 H ILE A 12 69.977 -55.604 16.516 1.00 51.52 H new ATOM 0 HA ILE A 12 69.427 -54.772 19.291 1.00 33.23 H new ATOM 0 HB ILE A 12 72.171 -54.981 17.982 1.00 54.52 H new ATOM 0 HG12 ILE A 12 72.135 -56.788 20.064 1.00 33.42 H new ATOM 0 HG13 ILE A 12 70.517 -56.969 19.414 1.00 33.42 H new ATOM 0 HG21 ILE A 12 72.993 -54.633 20.276 1.00 41.22 H new ATOM 0 HG22 ILE A 12 71.998 -53.267 19.720 1.00 41.22 H new ATOM 0 HG23 ILE A 12 71.316 -54.463 20.848 1.00 41.22 H new ATOM 0 HD11 ILE A 12 72.062 -58.554 18.372 1.00 71.40 H new ATOM 0 HD12 ILE A 12 71.452 -57.395 17.168 1.00 71.40 H new ATOM 0 HD13 ILE A 12 73.094 -57.211 17.828 1.00 71.40 H new ATOM 176 N ALA A 13 68.941 -52.722 17.658 1.00 72.12 N ATOM 177 CA ALA A 13 68.841 -51.356 17.161 1.00 13.13 C ATOM 178 C ALA A 13 67.609 -50.656 17.724 1.00 2.03 C ATOM 179 O ALA A 13 66.764 -50.167 16.973 1.00 52.04 O ATOM 180 CB ALA A 13 68.807 -51.348 15.640 1.00 33.32 C ATOM 0 H ALA A 13 68.044 -53.185 17.802 1.00 72.12 H new ATOM 0 HA ALA A 13 69.722 -50.809 17.496 1.00 13.13 H new ATOM 0 HB1 ALA A 13 68.732 -50.321 15.283 1.00 33.32 H new ATOM 0 HB2 ALA A 13 69.720 -51.801 15.253 1.00 33.32 H new ATOM 0 HB3 ALA A 13 67.944 -51.917 15.292 1.00 33.32 H new ATOM 186 N ARG A 14 67.512 -50.611 19.048 1.00 22.33 N ATOM 187 CA ARG A 14 66.381 -49.972 19.711 1.00 50.23 C ATOM 188 C ARG A 14 66.784 -48.619 20.290 1.00 23.24 C ATOM 189 O ARG A 14 67.931 -48.194 20.162 1.00 64.14 O ATOM 190 CB ARG A 14 65.837 -50.873 20.822 1.00 45.14 C ATOM 191 CG ARG A 14 64.905 -51.963 20.318 1.00 14.15 C ATOM 192 CD ARG A 14 63.540 -51.402 19.949 1.00 23.12 C ATOM 193 NE ARG A 14 62.764 -51.027 21.129 1.00 24.22 N ATOM 194 CZ ARG A 14 62.234 -51.908 21.969 1.00 31.14 C ATOM 195 NH1 ARG A 14 62.395 -53.208 21.762 1.00 1.45 N ATOM 196 NH2 ARG A 14 61.542 -51.489 23.021 1.00 11.41 N ATOM 0 H ARG A 14 68.203 -51.009 19.684 1.00 22.33 H new ATOM 0 HA ARG A 14 65.600 -49.812 18.968 1.00 50.23 H new ATOM 0 HB2 ARG A 14 66.674 -51.335 21.346 1.00 45.14 H new ATOM 0 HB3 ARG A 14 65.305 -50.259 21.549 1.00 45.14 H new ATOM 0 HG2 ARG A 14 65.348 -52.448 19.448 1.00 14.15 H new ATOM 0 HG3 ARG A 14 64.790 -52.728 21.085 1.00 14.15 H new ATOM 0 HD2 ARG A 14 63.668 -50.530 19.307 1.00 23.12 H new ATOM 0 HD3 ARG A 14 62.987 -52.144 19.372 1.00 23.12 H new ATOM 0 HE ARG A 14 62.622 -50.035 21.318 1.00 24.22 H new ATOM 0 HH11 ARG A 14 62.927 -53.534 20.955 1.00 1.45 H new ATOM 0 HH12 ARG A 14 61.986 -53.882 22.409 1.00 1.45 H new ATOM 0 HH21 ARG A 14 61.417 -50.490 23.184 1.00 11.41 H new ATOM 0 HH22 ARG A 14 61.135 -52.166 23.666 1.00 11.41 H new ATOM 210 N ALA A 15 65.831 -47.947 20.929 1.00 74.44 N ATOM 211 CA ALA A 15 66.088 -46.644 21.529 1.00 14.20 C ATOM 212 C ALA A 15 64.907 -46.191 22.383 1.00 74.43 C ATOM 213 O ALA A 15 63.759 -46.229 21.941 1.00 33.34 O ATOM 214 CB ALA A 15 66.384 -45.615 20.449 1.00 24.13 C ATOM 0 H ALA A 15 64.875 -48.284 21.044 1.00 74.44 H new ATOM 0 HA ALA A 15 66.959 -46.735 22.177 1.00 14.20 H new ATOM 0 HB1 ALA A 15 66.574 -44.646 20.912 1.00 24.13 H new ATOM 0 HB2 ALA A 15 67.262 -45.925 19.882 1.00 24.13 H new ATOM 0 HB3 ALA A 15 65.529 -45.535 19.778 1.00 24.13 H new ATOM 220 N ASP A 16 65.198 -45.766 23.607 1.00 51.51 N ATOM 221 CA ASP A 16 64.161 -45.306 24.524 1.00 45.31 C ATOM 222 C ASP A 16 63.986 -43.793 24.432 1.00 24.10 C ATOM 223 O ASP A 16 63.939 -43.102 25.449 1.00 53.53 O ATOM 224 CB ASP A 16 64.504 -45.706 25.959 1.00 41.21 C ATOM 225 CG ASP A 16 65.938 -45.377 26.325 1.00 44.10 C ATOM 226 OD1 ASP A 16 66.854 -46.035 25.788 1.00 34.22 O ATOM 227 OD2 ASP A 16 66.145 -44.459 27.146 1.00 54.24 O ATOM 0 H ASP A 16 66.144 -45.730 23.988 1.00 51.51 H new ATOM 0 HA ASP A 16 63.222 -45.780 24.238 1.00 45.31 H new ATOM 0 HB2 ASP A 16 63.830 -45.195 26.646 1.00 41.21 H new ATOM 0 HB3 ASP A 16 64.336 -46.776 26.085 1.00 41.21 H new ATOM 232 N GLU A 17 63.894 -43.286 23.206 1.00 24.35 N ATOM 233 CA GLU A 17 63.728 -41.855 22.983 1.00 42.33 C ATOM 234 C GLU A 17 62.405 -41.564 22.278 1.00 60.42 C ATOM 235 O GLU A 17 61.575 -42.456 22.098 1.00 5.21 O ATOM 236 CB GLU A 17 64.891 -41.306 22.155 1.00 60.43 C ATOM 237 CG GLU A 17 66.256 -41.593 22.758 1.00 10.24 C ATOM 238 CD GLU A 17 66.634 -40.601 23.842 1.00 74.12 C ATOM 239 OE1 GLU A 17 67.178 -39.530 23.501 1.00 22.44 O ATOM 240 OE2 GLU A 17 66.386 -40.896 25.029 1.00 74.03 O ATOM 0 H GLU A 17 63.932 -43.845 22.353 1.00 24.35 H new ATOM 0 HA GLU A 17 63.719 -41.361 23.955 1.00 42.33 H new ATOM 0 HB2 GLU A 17 64.848 -41.735 21.154 1.00 60.43 H new ATOM 0 HB3 GLU A 17 64.771 -40.228 22.045 1.00 60.43 H new ATOM 0 HG2 GLU A 17 66.261 -42.600 23.174 1.00 10.24 H new ATOM 0 HG3 GLU A 17 67.009 -41.570 21.971 1.00 10.24 H new ATOM 247 N THR A 18 62.217 -40.310 21.880 1.00 1.21 N ATOM 248 CA THR A 18 60.997 -39.900 21.197 1.00 50.25 C ATOM 249 C THR A 18 60.975 -40.407 19.759 1.00 33.23 C ATOM 250 O THR A 18 61.896 -41.097 19.320 1.00 0.33 O ATOM 251 CB THR A 18 60.843 -38.368 21.191 1.00 63.11 C ATOM 252 OG1 THR A 18 62.024 -37.759 20.656 1.00 72.02 O ATOM 253 CG2 THR A 18 60.589 -37.844 22.596 1.00 23.40 C ATOM 0 H THR A 18 62.895 -39.560 22.019 1.00 1.21 H new ATOM 0 HA THR A 18 60.165 -40.339 21.747 1.00 50.25 H new ATOM 0 HB THR A 18 59.988 -38.114 20.565 1.00 63.11 H new ATOM 0 HG1 THR A 18 61.917 -36.785 20.654 1.00 72.02 H new ATOM 0 HG21 THR A 18 60.484 -36.760 22.566 1.00 23.40 H new ATOM 0 HG22 THR A 18 59.674 -38.287 22.990 1.00 23.40 H new ATOM 0 HG23 THR A 18 61.427 -38.110 23.240 1.00 23.40 H new ATOM 261 N ILE A 19 59.919 -40.061 19.030 1.00 24.31 N ATOM 262 CA ILE A 19 59.780 -40.481 17.641 1.00 12.35 C ATOM 263 C ILE A 19 59.833 -39.283 16.698 1.00 73.23 C ATOM 264 O ILE A 19 58.812 -38.863 16.154 1.00 53.52 O ATOM 265 CB ILE A 19 58.461 -41.241 17.413 1.00 51.02 C ATOM 266 CG1 ILE A 19 57.289 -40.471 18.025 1.00 63.41 C ATOM 267 CG2 ILE A 19 58.548 -42.641 18.003 1.00 61.33 C ATOM 268 CD1 ILE A 19 56.004 -40.601 17.238 1.00 43.25 C ATOM 0 H ILE A 19 59.148 -39.491 19.378 1.00 24.31 H new ATOM 0 HA ILE A 19 60.616 -41.147 17.427 1.00 12.35 H new ATOM 0 HB ILE A 19 58.291 -41.329 16.340 1.00 51.02 H new ATOM 0 HG12 ILE A 19 57.121 -40.828 19.041 1.00 63.41 H new ATOM 0 HG13 ILE A 19 57.556 -39.417 18.098 1.00 63.41 H new ATOM 0 HG21 ILE A 19 57.608 -43.166 17.834 1.00 61.33 H new ATOM 0 HG22 ILE A 19 59.360 -43.188 17.524 1.00 61.33 H new ATOM 0 HG23 ILE A 19 58.738 -42.573 19.074 1.00 61.33 H new ATOM 0 HD11 ILE A 19 55.217 -40.030 17.730 1.00 43.25 H new ATOM 0 HD12 ILE A 19 56.155 -40.217 16.229 1.00 43.25 H new ATOM 0 HD13 ILE A 19 55.713 -41.650 17.187 1.00 43.25 H new ATOM 280 N ARG A 20 61.030 -38.740 16.508 1.00 65.24 N ATOM 281 CA ARG A 20 61.217 -37.591 15.629 1.00 62.04 C ATOM 282 C ARG A 20 61.976 -37.990 14.366 1.00 73.33 C ATOM 283 O ARG A 20 61.441 -37.921 13.260 1.00 24.24 O ATOM 284 CB ARG A 20 61.972 -36.480 16.360 1.00 62.41 C ATOM 285 CG ARG A 20 61.569 -35.081 15.925 1.00 23.12 C ATOM 286 CD ARG A 20 60.427 -34.541 16.772 1.00 70.20 C ATOM 287 NE ARG A 20 60.881 -34.116 18.094 1.00 15.20 N ATOM 288 CZ ARG A 20 60.056 -33.765 19.075 1.00 23.25 C ATOM 289 NH1 ARG A 20 58.745 -33.789 18.885 1.00 5.33 N ATOM 290 NH2 ARG A 20 60.545 -33.389 20.250 1.00 31.11 N ATOM 0 H ARG A 20 61.885 -39.076 16.950 1.00 65.24 H new ATOM 0 HA ARG A 20 60.233 -37.223 15.340 1.00 62.04 H new ATOM 0 HB2 ARG A 20 61.802 -36.581 17.432 1.00 62.41 H new ATOM 0 HB3 ARG A 20 63.041 -36.609 16.194 1.00 62.41 H new ATOM 0 HG2 ARG A 20 62.427 -34.414 16.002 1.00 23.12 H new ATOM 0 HG3 ARG A 20 61.270 -35.097 14.877 1.00 23.12 H new ATOM 0 HD2 ARG A 20 59.962 -33.698 16.260 1.00 70.20 H new ATOM 0 HD3 ARG A 20 59.661 -35.309 16.881 1.00 70.20 H new ATOM 0 HE ARG A 20 61.885 -34.087 18.274 1.00 15.20 H new ATOM 0 HH11 ARG A 20 58.366 -34.078 17.983 1.00 5.33 H new ATOM 0 HH12 ARG A 20 58.115 -33.519 19.640 1.00 5.33 H new ATOM 0 HH21 ARG A 20 61.554 -33.369 20.400 1.00 31.11 H new ATOM 0 HH22 ARG A 20 59.912 -33.120 21.003 1.00 31.11 H new ATOM 304 N GLY A 21 63.226 -38.409 14.540 1.00 3.12 N ATOM 305 CA GLY A 21 64.038 -38.812 13.407 1.00 23.13 C ATOM 306 C GLY A 21 63.586 -40.129 12.809 1.00 30.31 C ATOM 307 O GLY A 21 63.219 -41.054 13.535 1.00 52.11 O ATOM 0 H GLY A 21 63.691 -38.476 15.446 1.00 3.12 H new ATOM 0 HA2 GLY A 21 63.999 -38.037 12.642 1.00 23.13 H new ATOM 0 HA3 GLY A 21 65.078 -38.897 13.721 1.00 23.13 H new ATOM 311 N TYR A 22 63.613 -40.217 11.484 1.00 15.41 N ATOM 312 CA TYR A 22 63.199 -41.430 10.790 1.00 40.31 C ATOM 313 C TYR A 22 64.330 -41.975 9.924 1.00 62.11 C ATOM 314 O TYR A 22 64.877 -43.043 10.199 1.00 5.23 O ATOM 315 CB TYR A 22 61.968 -41.153 9.925 1.00 42.22 C ATOM 316 CG TYR A 22 61.192 -42.397 9.559 1.00 61.10 C ATOM 317 CD1 TYR A 22 60.831 -43.324 10.529 1.00 74.02 C ATOM 318 CD2 TYR A 22 60.821 -42.647 8.243 1.00 33.12 C ATOM 319 CE1 TYR A 22 60.122 -44.464 10.200 1.00 62.30 C ATOM 320 CE2 TYR A 22 60.111 -43.782 7.905 1.00 75.54 C ATOM 321 CZ TYR A 22 59.764 -44.688 8.887 1.00 52.34 C ATOM 322 OH TYR A 22 59.058 -45.821 8.553 1.00 34.20 O ATOM 0 H TYR A 22 63.917 -39.462 10.869 1.00 15.41 H new ATOM 0 HA TYR A 22 62.947 -42.179 11.540 1.00 40.31 H new ATOM 0 HB2 TYR A 22 61.308 -40.467 10.456 1.00 42.22 H new ATOM 0 HB3 TYR A 22 62.283 -40.649 9.011 1.00 42.22 H new ATOM 0 HD1 TYR A 22 61.109 -43.151 11.558 1.00 74.02 H new ATOM 0 HD2 TYR A 22 61.093 -41.942 7.472 1.00 33.12 H new ATOM 0 HE1 TYR A 22 59.850 -45.175 10.966 1.00 62.30 H new ATOM 0 HE2 TYR A 22 59.829 -43.960 6.878 1.00 75.54 H new ATOM 0 HH TYR A 22 58.885 -45.826 7.588 1.00 34.20 H new ATOM 332 N MET A 23 64.676 -41.233 8.878 1.00 64.13 N ATOM 333 CA MET A 23 65.744 -41.640 7.972 1.00 44.42 C ATOM 334 C MET A 23 66.006 -40.565 6.922 1.00 25.15 C ATOM 335 O MET A 23 65.279 -39.575 6.838 1.00 64.34 O ATOM 336 CB MET A 23 65.386 -42.960 7.288 1.00 70.33 C ATOM 337 CG MET A 23 64.079 -42.910 6.515 1.00 54.40 C ATOM 338 SD MET A 23 63.311 -44.531 6.340 1.00 63.44 S ATOM 339 CE MET A 23 64.360 -45.270 5.090 1.00 22.04 C ATOM 0 H MET A 23 64.233 -40.347 8.636 1.00 64.13 H new ATOM 0 HA MET A 23 66.652 -41.778 8.560 1.00 44.42 H new ATOM 0 HB2 MET A 23 66.191 -43.237 6.607 1.00 70.33 H new ATOM 0 HB3 MET A 23 65.323 -43.745 8.042 1.00 70.33 H new ATOM 0 HG2 MET A 23 63.387 -42.238 7.022 1.00 54.40 H new ATOM 0 HG3 MET A 23 64.263 -42.491 5.526 1.00 54.40 H new ATOM 0 HE1 MET A 23 64.011 -46.280 4.873 1.00 22.04 H new ATOM 0 HE2 MET A 23 64.322 -44.669 4.181 1.00 22.04 H new ATOM 0 HE3 MET A 23 65.386 -45.311 5.454 1.00 22.04 H new ATOM 349 N GLY A 24 67.049 -40.766 6.123 1.00 42.00 N ATOM 350 CA GLY A 24 67.388 -39.804 5.089 1.00 70.43 C ATOM 351 C GLY A 24 68.883 -39.568 4.985 1.00 55.25 C ATOM 352 O GLY A 24 69.678 -40.495 5.141 1.00 51.11 O ATOM 0 H GLY A 24 67.665 -41.577 6.173 1.00 42.00 H new ATOM 0 HA2 GLY A 24 67.011 -40.158 4.129 1.00 70.43 H new ATOM 0 HA3 GLY A 24 66.888 -38.859 5.298 1.00 70.43 H new ATOM 356 N THR A 25 69.265 -38.324 4.718 1.00 64.22 N ATOM 357 CA THR A 25 70.673 -37.969 4.589 1.00 2.14 C ATOM 358 C THR A 25 71.217 -37.397 5.894 1.00 50.23 C ATOM 359 O THR A 25 70.656 -36.454 6.451 1.00 65.13 O ATOM 360 CB THR A 25 70.893 -36.943 3.461 1.00 52.10 C ATOM 361 OG1 THR A 25 70.475 -37.497 2.208 1.00 4.15 O ATOM 362 CG2 THR A 25 72.356 -36.535 3.380 1.00 45.14 C ATOM 0 H THR A 25 68.620 -37.545 4.587 1.00 64.22 H new ATOM 0 HA THR A 25 71.209 -38.886 4.345 1.00 2.14 H new ATOM 0 HB THR A 25 70.298 -36.057 3.682 1.00 52.10 H new ATOM 0 HG1 THR A 25 71.259 -37.813 1.712 1.00 4.15 H new ATOM 0 HG21 THR A 25 72.488 -35.810 2.577 1.00 45.14 H new ATOM 0 HG22 THR A 25 72.662 -36.088 4.326 1.00 45.14 H new ATOM 0 HG23 THR A 25 72.968 -37.414 3.179 1.00 45.14 H new ATOM 370 N SER A 26 72.314 -37.974 6.375 1.00 32.12 N ATOM 371 CA SER A 26 72.932 -37.523 7.617 1.00 43.42 C ATOM 372 C SER A 26 73.591 -36.159 7.431 1.00 35.12 C ATOM 373 O SER A 26 74.447 -35.983 6.565 1.00 75.40 O ATOM 374 CB SER A 26 73.968 -38.542 8.094 1.00 23.41 C ATOM 375 OG SER A 26 74.699 -39.076 7.003 1.00 35.31 O ATOM 0 H SER A 26 72.793 -38.754 5.924 1.00 32.12 H new ATOM 0 HA SER A 26 72.150 -37.430 8.371 1.00 43.42 H new ATOM 0 HB2 SER A 26 74.653 -38.067 8.797 1.00 23.41 H new ATOM 0 HB3 SER A 26 73.469 -39.349 8.631 1.00 23.41 H new ATOM 0 HG SER A 26 75.356 -39.723 7.335 1.00 35.31 H new ATOM 381 N ALA A 27 73.183 -35.196 8.252 1.00 63.51 N ATOM 382 CA ALA A 27 73.734 -33.849 8.181 1.00 33.03 C ATOM 383 C ALA A 27 74.056 -33.313 9.573 1.00 54.51 C ATOM 384 O ALA A 27 73.566 -33.832 10.577 1.00 0.34 O ATOM 385 CB ALA A 27 72.765 -32.920 7.467 1.00 41.50 C ATOM 0 H ALA A 27 72.473 -35.324 8.973 1.00 63.51 H new ATOM 0 HA ALA A 27 74.663 -33.893 7.613 1.00 33.03 H new ATOM 0 HB1 ALA A 27 73.189 -31.917 7.421 1.00 41.50 H new ATOM 0 HB2 ALA A 27 72.589 -33.286 6.456 1.00 41.50 H new ATOM 0 HB3 ALA A 27 71.821 -32.890 8.012 1.00 41.50 H new ATOM 391 N THR A 28 74.880 -32.272 9.625 1.00 24.53 N ATOM 392 CA THR A 28 75.268 -31.668 10.894 1.00 4.41 C ATOM 393 C THR A 28 75.063 -30.157 10.868 1.00 33.24 C ATOM 394 O THR A 28 75.988 -29.401 10.570 1.00 1.50 O ATOM 395 CB THR A 28 76.741 -31.968 11.232 1.00 73.22 C ATOM 396 OG1 THR A 28 76.897 -33.357 11.546 1.00 5.32 O ATOM 397 CG2 THR A 28 77.210 -31.121 12.406 1.00 53.02 C ATOM 0 H THR A 28 75.292 -31.829 8.804 1.00 24.53 H new ATOM 0 HA THR A 28 74.630 -32.107 11.661 1.00 4.41 H new ATOM 0 HB THR A 28 77.349 -31.722 10.362 1.00 73.22 H new ATOM 0 HG1 THR A 28 77.836 -33.541 11.758 1.00 5.32 H new ATOM 0 HG21 THR A 28 78.253 -31.350 12.626 1.00 53.02 H new ATOM 0 HG22 THR A 28 77.116 -30.065 12.153 1.00 53.02 H new ATOM 0 HG23 THR A 28 76.598 -31.341 13.281 1.00 53.02 H new ATOM 405 N ILE A 29 73.847 -29.725 11.183 1.00 54.30 N ATOM 406 CA ILE A 29 73.522 -28.304 11.198 1.00 55.43 C ATOM 407 C ILE A 29 74.612 -27.498 11.896 1.00 70.24 C ATOM 408 O ILE A 29 74.991 -27.796 13.029 1.00 4.24 O ATOM 409 CB ILE A 29 72.176 -28.042 11.901 1.00 62.33 C ATOM 410 CG1 ILE A 29 71.971 -29.037 13.044 1.00 73.11 C ATOM 411 CG2 ILE A 29 71.031 -28.130 10.903 1.00 65.44 C ATOM 412 CD1 ILE A 29 70.728 -28.768 13.864 1.00 73.44 C ATOM 0 H ILE A 29 73.071 -30.338 11.431 1.00 54.30 H new ATOM 0 HA ILE A 29 73.448 -27.986 10.158 1.00 55.43 H new ATOM 0 HB ILE A 29 72.191 -27.035 12.319 1.00 62.33 H new ATOM 0 HG12 ILE A 29 71.914 -30.044 12.632 1.00 73.11 H new ATOM 0 HG13 ILE A 29 72.842 -29.010 13.699 1.00 73.11 H new ATOM 0 HG21 ILE A 29 70.087 -27.943 11.415 1.00 65.44 H new ATOM 0 HG22 ILE A 29 71.173 -27.385 10.120 1.00 65.44 H new ATOM 0 HG23 ILE A 29 71.011 -29.125 10.459 1.00 65.44 H new ATOM 0 HD11 ILE A 29 70.647 -29.512 14.656 1.00 73.44 H new ATOM 0 HD12 ILE A 29 70.792 -27.773 14.305 1.00 73.44 H new ATOM 0 HD13 ILE A 29 69.849 -28.824 13.222 1.00 73.44 H new ATOM 424 N THR A 30 75.112 -26.473 11.211 1.00 74.42 N ATOM 425 CA THR A 30 76.158 -25.624 11.764 1.00 24.41 C ATOM 426 C THR A 30 76.087 -24.215 11.184 1.00 53.54 C ATOM 427 O THR A 30 76.585 -23.959 10.088 1.00 53.54 O ATOM 428 CB THR A 30 77.558 -26.207 11.493 1.00 31.34 C ATOM 429 OG1 THR A 30 77.590 -27.592 11.856 1.00 31.24 O ATOM 430 CG2 THR A 30 78.621 -25.448 12.274 1.00 41.23 C ATOM 0 H THR A 30 74.809 -26.212 10.273 1.00 74.42 H new ATOM 0 HA THR A 30 75.992 -25.581 12.840 1.00 24.41 H new ATOM 0 HB THR A 30 77.770 -26.105 10.429 1.00 31.34 H new ATOM 0 HG1 THR A 30 77.043 -28.108 11.228 1.00 31.24 H new ATOM 0 HG21 THR A 30 79.601 -25.878 12.067 1.00 41.23 H new ATOM 0 HG22 THR A 30 78.614 -24.400 11.975 1.00 41.23 H new ATOM 0 HG23 THR A 30 78.411 -25.522 13.341 1.00 41.23 H new ATOM 438 N SER A 31 75.463 -23.306 11.927 1.00 5.01 N ATOM 439 CA SER A 31 75.324 -21.924 11.485 1.00 51.44 C ATOM 440 C SER A 31 75.612 -20.955 12.628 1.00 53.41 C ATOM 441 O SER A 31 74.707 -20.299 13.142 1.00 4.12 O ATOM 442 CB SER A 31 73.916 -21.681 10.937 1.00 11.13 C ATOM 443 OG SER A 31 73.880 -20.529 10.112 1.00 73.54 O ATOM 0 H SER A 31 75.046 -23.502 12.837 1.00 5.01 H new ATOM 0 HA SER A 31 76.051 -21.748 10.692 1.00 51.44 H new ATOM 0 HB2 SER A 31 73.590 -22.551 10.367 1.00 11.13 H new ATOM 0 HB3 SER A 31 73.216 -21.561 11.764 1.00 11.13 H new ATOM 0 HG SER A 31 74.138 -19.743 10.637 1.00 73.54 H new ATOM 449 N GLY A 32 76.878 -20.873 13.021 1.00 72.33 N ATOM 450 CA GLY A 32 77.264 -19.984 14.101 1.00 32.30 C ATOM 451 C GLY A 32 78.754 -20.018 14.377 1.00 74.33 C ATOM 452 O GLY A 32 79.466 -20.883 13.866 1.00 74.42 O ATOM 0 H GLY A 32 77.644 -21.407 12.611 1.00 72.33 H new ATOM 0 HA2 GLY A 32 76.967 -18.965 13.852 1.00 32.30 H new ATOM 0 HA3 GLY A 32 76.724 -20.261 15.006 1.00 32.30 H new ATOM 456 N GLU A 33 79.227 -19.075 15.185 1.00 53.32 N ATOM 457 CA GLU A 33 80.643 -19.001 15.525 1.00 44.42 C ATOM 458 C GLU A 33 81.167 -20.362 15.973 1.00 2.22 C ATOM 459 O GLU A 33 82.366 -20.632 15.898 1.00 52.22 O ATOM 460 CB GLU A 33 80.872 -17.965 16.628 1.00 21.41 C ATOM 461 CG GLU A 33 79.984 -18.166 17.845 1.00 64.03 C ATOM 462 CD GLU A 33 80.577 -17.567 19.105 1.00 1.54 C ATOM 463 OE1 GLU A 33 81.440 -16.671 18.987 1.00 32.43 O ATOM 464 OE2 GLU A 33 80.178 -17.992 20.209 1.00 52.12 O ATOM 0 H GLU A 33 78.651 -18.352 15.616 1.00 53.32 H new ATOM 0 HA GLU A 33 81.189 -18.697 14.632 1.00 44.42 H new ATOM 0 HB2 GLU A 33 81.916 -18.003 16.940 1.00 21.41 H new ATOM 0 HB3 GLU A 33 80.697 -16.969 16.221 1.00 21.41 H new ATOM 0 HG2 GLU A 33 79.009 -17.716 17.657 1.00 64.03 H new ATOM 0 HG3 GLU A 33 79.819 -19.233 17.997 1.00 64.03 H new ATOM 471 N GLN A 34 80.261 -21.215 16.440 1.00 24.05 N ATOM 472 CA GLN A 34 80.632 -22.547 16.902 1.00 22.01 C ATOM 473 C GLN A 34 79.395 -23.362 17.263 1.00 41.24 C ATOM 474 O GLN A 34 78.879 -23.266 18.377 1.00 43.44 O ATOM 475 CB GLN A 34 81.564 -22.449 18.112 1.00 42.31 C ATOM 476 CG GLN A 34 82.875 -23.198 17.932 1.00 53.23 C ATOM 477 CD GLN A 34 84.047 -22.487 18.577 1.00 12.42 C ATOM 478 OE1 GLN A 34 83.979 -22.080 19.738 1.00 31.12 O ATOM 479 NE2 GLN A 34 85.131 -22.331 17.827 1.00 34.24 N ATOM 0 H GLN A 34 79.265 -21.007 16.508 1.00 24.05 H new ATOM 0 HA GLN A 34 81.154 -23.053 16.090 1.00 22.01 H new ATOM 0 HB2 GLN A 34 81.779 -21.399 18.310 1.00 42.31 H new ATOM 0 HB3 GLN A 34 81.049 -22.840 18.989 1.00 42.31 H new ATOM 0 HG2 GLN A 34 82.780 -24.196 18.360 1.00 53.23 H new ATOM 0 HG3 GLN A 34 83.073 -23.325 16.868 1.00 53.23 H new ATOM 0 HE21 GLN A 34 85.144 -22.684 16.870 1.00 34.24 H new ATOM 0 HE22 GLN A 34 85.951 -21.858 18.208 1.00 34.24 H new ATOM 488 N SER A 35 78.924 -24.164 16.313 1.00 14.21 N ATOM 489 CA SER A 35 77.744 -24.993 16.530 1.00 51.22 C ATOM 490 C SER A 35 77.873 -26.324 15.795 1.00 12.33 C ATOM 491 O SER A 35 78.728 -26.486 14.926 1.00 22.13 O ATOM 492 CB SER A 35 76.485 -24.260 16.062 1.00 2.14 C ATOM 493 OG SER A 35 75.942 -23.465 17.103 1.00 72.15 O ATOM 0 H SER A 35 79.341 -24.257 15.387 1.00 14.21 H new ATOM 0 HA SER A 35 77.663 -25.193 17.598 1.00 51.22 H new ATOM 0 HB2 SER A 35 76.724 -23.630 15.206 1.00 2.14 H new ATOM 0 HB3 SER A 35 75.742 -24.984 15.727 1.00 2.14 H new ATOM 0 HG SER A 35 76.654 -23.213 17.728 1.00 72.15 H new ATOM 499 N GLY A 36 77.015 -27.276 16.151 1.00 14.14 N ATOM 500 CA GLY A 36 77.049 -28.580 15.517 1.00 44.13 C ATOM 501 C GLY A 36 76.051 -29.547 16.124 1.00 12.42 C ATOM 502 O GLY A 36 76.377 -30.284 17.053 1.00 32.52 O ATOM 0 H GLY A 36 76.297 -27.167 16.867 1.00 14.14 H new ATOM 0 HA2 GLY A 36 76.841 -28.469 14.453 1.00 44.13 H new ATOM 0 HA3 GLY A 36 78.053 -28.997 15.604 1.00 44.13 H new ATOM 506 N ALA A 37 74.830 -29.541 15.599 1.00 73.35 N ATOM 507 CA ALA A 37 73.782 -30.424 16.095 1.00 50.32 C ATOM 508 C ALA A 37 73.482 -31.537 15.097 1.00 62.13 C ATOM 509 O ALA A 37 74.204 -31.715 14.114 1.00 33.35 O ATOM 510 CB ALA A 37 72.519 -29.629 16.395 1.00 24.24 C ATOM 0 H ALA A 37 74.543 -28.935 14.831 1.00 73.35 H new ATOM 0 HA ALA A 37 74.137 -30.884 17.017 1.00 50.32 H new ATOM 0 HB1 ALA A 37 71.745 -30.302 16.765 1.00 24.24 H new ATOM 0 HB2 ALA A 37 72.735 -28.874 17.151 1.00 24.24 H new ATOM 0 HB3 ALA A 37 72.171 -29.141 15.484 1.00 24.24 H new ATOM 516 N VAL A 38 72.414 -32.285 15.353 1.00 41.14 N ATOM 517 CA VAL A 38 72.020 -33.381 14.475 1.00 1.04 C ATOM 518 C VAL A 38 70.900 -32.954 13.532 1.00 24.44 C ATOM 519 O VAL A 38 69.817 -32.570 13.972 1.00 2.22 O ATOM 520 CB VAL A 38 71.555 -34.607 15.284 1.00 14.11 C ATOM 521 CG1 VAL A 38 70.467 -34.214 16.271 1.00 35.30 C ATOM 522 CG2 VAL A 38 71.068 -35.706 14.351 1.00 14.12 C ATOM 0 H VAL A 38 71.806 -32.152 16.161 1.00 41.14 H new ATOM 0 HA VAL A 38 72.900 -33.652 13.891 1.00 1.04 H new ATOM 0 HB VAL A 38 72.404 -34.991 15.850 1.00 14.11 H new ATOM 0 HG11 VAL A 38 70.151 -35.093 16.833 1.00 35.30 H new ATOM 0 HG12 VAL A 38 70.854 -33.463 16.959 1.00 35.30 H new ATOM 0 HG13 VAL A 38 69.615 -33.804 15.729 1.00 35.30 H new ATOM 0 HG21 VAL A 38 70.743 -36.565 14.939 1.00 14.12 H new ATOM 0 HG22 VAL A 38 70.232 -35.335 13.757 1.00 14.12 H new ATOM 0 HG23 VAL A 38 71.879 -36.006 13.688 1.00 14.12 H new ATOM 532 N ILE A 39 71.172 -33.024 12.233 1.00 32.03 N ATOM 533 CA ILE A 39 70.187 -32.646 11.227 1.00 54.13 C ATOM 534 C ILE A 39 70.203 -33.617 10.051 1.00 54.41 C ATOM 535 O ILE A 39 71.232 -34.218 9.743 1.00 73.33 O ATOM 536 CB ILE A 39 70.435 -31.220 10.703 1.00 20.25 C ATOM 537 CG1 ILE A 39 69.258 -30.756 9.844 1.00 43.31 C ATOM 538 CG2 ILE A 39 71.732 -31.165 9.910 1.00 2.33 C ATOM 539 CD1 ILE A 39 69.522 -30.846 8.357 1.00 24.41 C ATOM 0 H ILE A 39 72.065 -33.338 11.853 1.00 32.03 H new ATOM 0 HA ILE A 39 69.212 -32.681 11.712 1.00 54.13 H new ATOM 0 HB ILE A 39 70.525 -30.547 11.555 1.00 20.25 H new ATOM 0 HG12 ILE A 39 68.382 -31.358 10.086 1.00 43.31 H new ATOM 0 HG13 ILE A 39 69.016 -29.724 10.100 1.00 43.31 H new ATOM 0 HG21 ILE A 39 71.893 -30.150 9.546 1.00 2.33 H new ATOM 0 HG22 ILE A 39 72.563 -31.457 10.552 1.00 2.33 H new ATOM 0 HG23 ILE A 39 71.670 -31.848 9.063 1.00 2.33 H new ATOM 0 HD11 ILE A 39 68.645 -30.501 7.810 1.00 24.41 H new ATOM 0 HD12 ILE A 39 70.378 -30.222 8.101 1.00 24.41 H new ATOM 0 HD13 ILE A 39 69.734 -31.881 8.087 1.00 24.41 H new ATOM 551 N ARG A 40 69.056 -33.763 9.395 1.00 21.20 N ATOM 552 CA ARG A 40 68.938 -34.660 8.252 1.00 2.50 C ATOM 553 C ARG A 40 68.678 -33.875 6.969 1.00 33.24 C ATOM 554 O ARG A 40 67.536 -33.735 6.536 1.00 1.21 O ATOM 555 CB ARG A 40 67.811 -35.668 8.483 1.00 42.33 C ATOM 556 CG ARG A 40 66.675 -35.128 9.337 1.00 65.30 C ATOM 557 CD ARG A 40 65.575 -36.162 9.519 1.00 31.02 C ATOM 558 NE ARG A 40 66.109 -37.469 9.897 1.00 44.10 N ATOM 559 CZ ARG A 40 66.537 -37.762 11.119 1.00 64.21 C ATOM 560 NH1 ARG A 40 66.495 -36.848 12.078 1.00 5.42 N ATOM 561 NH2 ARG A 40 67.010 -38.973 11.385 1.00 75.04 N ATOM 0 H ARG A 40 68.195 -33.271 9.636 1.00 21.20 H new ATOM 0 HA ARG A 40 69.880 -35.197 8.144 1.00 2.50 H new ATOM 0 HB2 ARG A 40 67.412 -35.981 7.518 1.00 42.33 H new ATOM 0 HB3 ARG A 40 68.223 -36.557 8.961 1.00 42.33 H new ATOM 0 HG2 ARG A 40 67.061 -34.830 10.312 1.00 65.30 H new ATOM 0 HG3 ARG A 40 66.262 -34.233 8.871 1.00 65.30 H new ATOM 0 HD2 ARG A 40 64.879 -35.820 10.285 1.00 31.02 H new ATOM 0 HD3 ARG A 40 65.009 -36.256 8.592 1.00 31.02 H new ATOM 0 HE ARG A 40 66.155 -38.196 9.183 1.00 44.10 H new ATOM 0 HH11 ARG A 40 66.133 -35.916 11.878 1.00 5.42 H new ATOM 0 HH12 ARG A 40 66.825 -37.077 13.016 1.00 5.42 H new ATOM 0 HH21 ARG A 40 67.045 -39.680 10.650 1.00 75.04 H new ATOM 0 HH22 ARG A 40 67.339 -39.197 12.324 1.00 75.04 H new ATOM 575 N GLY A 41 69.748 -33.364 6.368 1.00 21.35 N ATOM 576 CA GLY A 41 69.615 -32.598 5.142 1.00 22.35 C ATOM 577 C GLY A 41 70.210 -33.313 3.946 1.00 61.44 C ATOM 578 O GLY A 41 71.203 -34.030 4.071 1.00 20.35 O ATOM 0 H GLY A 41 70.704 -33.467 6.708 1.00 21.35 H new ATOM 0 HA2 GLY A 41 68.560 -32.398 4.954 1.00 22.35 H new ATOM 0 HA3 GLY A 41 70.105 -31.632 5.265 1.00 22.35 H new ATOM 582 N VAL A 42 69.602 -33.119 2.779 1.00 11.03 N ATOM 583 CA VAL A 42 70.077 -33.752 1.555 1.00 5.40 C ATOM 584 C VAL A 42 70.353 -32.714 0.472 1.00 12.34 C ATOM 585 O VAL A 42 69.434 -32.071 -0.036 1.00 71.33 O ATOM 586 CB VAL A 42 69.058 -34.775 1.020 1.00 72.41 C ATOM 587 CG1 VAL A 42 69.744 -35.791 0.119 1.00 64.40 C ATOM 588 CG2 VAL A 42 68.346 -35.468 2.172 1.00 42.12 C ATOM 0 H VAL A 42 68.780 -32.528 2.656 1.00 11.03 H new ATOM 0 HA VAL A 42 71.003 -34.269 1.805 1.00 5.40 H new ATOM 0 HB VAL A 42 68.313 -34.244 0.428 1.00 72.41 H new ATOM 0 HG11 VAL A 42 69.008 -36.506 -0.250 1.00 64.40 H new ATOM 0 HG12 VAL A 42 70.205 -35.277 -0.725 1.00 64.40 H new ATOM 0 HG13 VAL A 42 70.511 -36.319 0.685 1.00 64.40 H new ATOM 0 HG21 VAL A 42 67.629 -36.188 1.777 1.00 42.12 H new ATOM 0 HG22 VAL A 42 69.077 -35.987 2.792 1.00 42.12 H new ATOM 0 HG23 VAL A 42 67.821 -34.726 2.774 1.00 42.12 H new ATOM 598 N PHE A 43 71.626 -32.555 0.124 1.00 1.11 N ATOM 599 CA PHE A 43 72.024 -31.594 -0.899 1.00 74.12 C ATOM 600 C PHE A 43 71.960 -32.221 -2.289 1.00 32.14 C ATOM 601 O PHE A 43 72.471 -33.319 -2.510 1.00 3.01 O ATOM 602 CB PHE A 43 73.439 -31.081 -0.623 1.00 32.12 C ATOM 603 CG PHE A 43 74.515 -31.945 -1.217 1.00 1.05 C ATOM 604 CD1 PHE A 43 74.737 -33.226 -0.739 1.00 11.13 C ATOM 605 CD2 PHE A 43 75.307 -31.474 -2.253 1.00 55.43 C ATOM 606 CE1 PHE A 43 75.727 -34.022 -1.283 1.00 23.15 C ATOM 607 CE2 PHE A 43 76.298 -32.266 -2.801 1.00 43.34 C ATOM 608 CZ PHE A 43 76.507 -33.541 -2.316 1.00 70.31 C ATOM 0 H PHE A 43 72.399 -33.079 0.535 1.00 1.11 H new ATOM 0 HA PHE A 43 71.328 -30.756 -0.866 1.00 74.12 H new ATOM 0 HB2 PHE A 43 73.535 -30.070 -1.020 1.00 32.12 H new ATOM 0 HB3 PHE A 43 73.590 -31.016 0.455 1.00 32.12 H new ATOM 0 HD1 PHE A 43 74.129 -33.607 0.068 1.00 11.13 H new ATOM 0 HD2 PHE A 43 75.148 -30.477 -2.636 1.00 55.43 H new ATOM 0 HE1 PHE A 43 75.890 -35.019 -0.901 1.00 23.15 H new ATOM 0 HE2 PHE A 43 76.908 -31.888 -3.608 1.00 43.34 H new ATOM 0 HZ PHE A 43 77.280 -34.162 -2.744 1.00 70.31 H new ATOM 618 N ASP A 44 71.328 -31.516 -3.220 1.00 53.53 N ATOM 619 CA ASP A 44 71.196 -32.003 -4.588 1.00 43.21 C ATOM 620 C ASP A 44 71.630 -30.935 -5.588 1.00 64.35 C ATOM 621 O ASP A 44 71.129 -29.812 -5.569 1.00 4.31 O ATOM 622 CB ASP A 44 69.751 -32.421 -4.867 1.00 62.34 C ATOM 623 CG ASP A 44 69.494 -32.670 -6.340 1.00 44.14 C ATOM 624 OD1 ASP A 44 69.271 -31.687 -7.079 1.00 14.24 O ATOM 625 OD2 ASP A 44 69.518 -33.846 -6.756 1.00 74.12 O ATOM 0 H ASP A 44 70.899 -30.606 -3.053 1.00 53.53 H new ATOM 0 HA ASP A 44 71.846 -32.871 -4.703 1.00 43.21 H new ATOM 0 HB2 ASP A 44 69.522 -33.326 -4.303 1.00 62.34 H new ATOM 0 HB3 ASP A 44 69.076 -31.644 -4.510 1.00 62.34 H new ATOM 630 N ASP A 45 72.567 -31.295 -6.460 1.00 32.44 N ATOM 631 CA ASP A 45 73.070 -30.369 -7.466 1.00 64.14 C ATOM 632 C ASP A 45 72.460 -30.667 -8.832 1.00 40.35 C ATOM 633 O ASP A 45 72.074 -31.797 -9.133 1.00 5.52 O ATOM 634 CB ASP A 45 74.596 -30.448 -7.547 1.00 53.04 C ATOM 635 CG ASP A 45 75.071 -31.611 -8.399 1.00 10.45 C ATOM 636 OD1 ASP A 45 74.419 -32.676 -8.365 1.00 64.10 O ATOM 637 OD2 ASP A 45 76.093 -31.454 -9.098 1.00 3.23 O ATOM 0 H ASP A 45 72.992 -32.222 -6.489 1.00 32.44 H new ATOM 0 HA ASP A 45 72.782 -29.360 -7.171 1.00 64.14 H new ATOM 0 HB2 ASP A 45 74.984 -29.517 -7.960 1.00 53.04 H new ATOM 0 HB3 ASP A 45 75.006 -30.546 -6.542 1.00 53.04 H new ATOM 642 N PRO A 46 72.370 -29.632 -9.680 1.00 11.31 N ATOM 643 CA PRO A 46 71.806 -29.758 -11.027 1.00 24.02 C ATOM 644 C PRO A 46 72.705 -30.566 -11.958 1.00 15.24 C ATOM 645 O PRO A 46 72.221 -31.341 -12.782 1.00 54.44 O ATOM 646 CB PRO A 46 71.706 -28.307 -11.508 1.00 32.32 C ATOM 647 CG PRO A 46 72.745 -27.578 -10.729 1.00 33.54 C ATOM 648 CD PRO A 46 72.810 -28.257 -9.388 1.00 33.22 C ATOM 0 HA PRO A 46 70.853 -30.286 -11.022 1.00 24.02 H new ATOM 0 HB2 PRO A 46 71.889 -28.232 -12.580 1.00 32.32 H new ATOM 0 HB3 PRO A 46 70.713 -27.897 -11.325 1.00 32.32 H new ATOM 0 HG2 PRO A 46 73.710 -27.618 -11.234 1.00 33.54 H new ATOM 0 HG3 PRO A 46 72.485 -26.525 -10.621 1.00 33.54 H new ATOM 0 HD2 PRO A 46 73.819 -28.237 -8.976 1.00 33.22 H new ATOM 0 HD3 PRO A 46 72.159 -27.773 -8.660 1.00 33.22 H new ATOM 656 N GLU A 47 74.014 -30.380 -11.819 1.00 15.42 N ATOM 657 CA GLU A 47 74.977 -31.093 -12.648 1.00 3.02 C ATOM 658 C GLU A 47 75.420 -32.389 -11.975 1.00 73.20 C ATOM 659 O GLU A 47 76.585 -32.548 -11.615 1.00 32.11 O ATOM 660 CB GLU A 47 76.195 -30.210 -12.926 1.00 64.15 C ATOM 661 CG GLU A 47 76.046 -29.341 -14.164 1.00 61.34 C ATOM 662 CD GLU A 47 76.028 -27.860 -13.839 1.00 43.13 C ATOM 663 OE1 GLU A 47 76.771 -27.445 -12.926 1.00 53.43 O ATOM 664 OE2 GLU A 47 75.271 -27.117 -14.499 1.00 21.03 O ATOM 0 H GLU A 47 74.431 -29.742 -11.141 1.00 15.42 H new ATOM 0 HA GLU A 47 74.492 -31.341 -13.592 1.00 3.02 H new ATOM 0 HB2 GLU A 47 76.374 -29.570 -12.062 1.00 64.15 H new ATOM 0 HB3 GLU A 47 77.074 -30.844 -13.041 1.00 64.15 H new ATOM 0 HG2 GLU A 47 76.867 -29.549 -14.850 1.00 61.34 H new ATOM 0 HG3 GLU A 47 75.124 -29.607 -14.681 1.00 61.34 H new ATOM 671 N ASN A 48 74.479 -33.314 -11.810 1.00 22.42 N ATOM 672 CA ASN A 48 74.771 -34.597 -11.181 1.00 32.34 C ATOM 673 C ASN A 48 75.133 -35.647 -12.226 1.00 5.34 C ATOM 674 O ASN A 48 74.371 -35.893 -13.162 1.00 21.22 O ATOM 675 CB ASN A 48 73.569 -35.071 -10.360 1.00 40.33 C ATOM 676 CG ASN A 48 73.782 -36.449 -9.766 1.00 60.24 C ATOM 677 OD1 ASN A 48 74.169 -36.584 -8.605 1.00 72.31 O ATOM 678 ND2 ASN A 48 73.529 -37.483 -10.562 1.00 5.54 N ATOM 0 H ASN A 48 73.509 -33.199 -12.103 1.00 22.42 H new ATOM 0 HA ASN A 48 75.626 -34.462 -10.518 1.00 32.34 H new ATOM 0 HB2 ASN A 48 73.377 -34.358 -9.558 1.00 40.33 H new ATOM 0 HB3 ASN A 48 72.682 -35.085 -10.994 1.00 40.33 H new ATOM 0 HD21 ASN A 48 73.654 -38.435 -10.217 1.00 5.54 H new ATOM 0 HD22 ASN A 48 73.210 -37.325 -11.518 1.00 5.54 H new ATOM 685 N ILE A 49 76.299 -36.262 -12.060 1.00 72.21 N ATOM 686 CA ILE A 49 76.761 -37.287 -12.988 1.00 10.44 C ATOM 687 C ILE A 49 77.583 -38.350 -12.269 1.00 32.24 C ATOM 688 O ILE A 49 78.412 -38.036 -11.414 1.00 41.33 O ATOM 689 CB ILE A 49 77.608 -36.678 -14.121 1.00 53.41 C ATOM 690 CG1 ILE A 49 77.950 -37.747 -15.162 1.00 2.22 C ATOM 691 CG2 ILE A 49 78.876 -36.055 -13.559 1.00 24.33 C ATOM 692 CD1 ILE A 49 78.764 -37.220 -16.323 1.00 71.32 C ATOM 0 H ILE A 49 76.941 -36.068 -11.292 1.00 72.21 H new ATOM 0 HA ILE A 49 75.872 -37.749 -13.417 1.00 10.44 H new ATOM 0 HB ILE A 49 77.027 -35.895 -14.608 1.00 53.41 H new ATOM 0 HG12 ILE A 49 78.502 -38.552 -14.677 1.00 2.22 H new ATOM 0 HG13 ILE A 49 77.025 -38.180 -15.544 1.00 2.22 H new ATOM 0 HG21 ILE A 49 79.464 -35.629 -14.372 1.00 24.33 H new ATOM 0 HG22 ILE A 49 78.612 -35.269 -12.851 1.00 24.33 H new ATOM 0 HG23 ILE A 49 79.462 -36.820 -13.050 1.00 24.33 H new ATOM 0 HD11 ILE A 49 78.970 -38.031 -17.021 1.00 71.32 H new ATOM 0 HD12 ILE A 49 78.205 -36.435 -16.833 1.00 71.32 H new ATOM 0 HD13 ILE A 49 79.705 -36.813 -15.953 1.00 71.32 H new ATOM 704 N SER A 50 77.349 -39.610 -12.621 1.00 4.12 N ATOM 705 CA SER A 50 78.067 -40.722 -12.007 1.00 1.52 C ATOM 706 C SER A 50 78.109 -40.569 -10.490 1.00 61.24 C ATOM 707 O SER A 50 79.122 -40.861 -9.854 1.00 1.25 O ATOM 708 CB SER A 50 79.490 -40.806 -12.563 1.00 52.30 C ATOM 709 OG SER A 50 80.043 -39.514 -12.747 1.00 13.10 O ATOM 0 H SER A 50 76.668 -39.887 -13.328 1.00 4.12 H new ATOM 0 HA SER A 50 77.536 -41.643 -12.247 1.00 1.52 H new ATOM 0 HB2 SER A 50 80.117 -41.380 -11.880 1.00 52.30 H new ATOM 0 HB3 SER A 50 79.482 -41.340 -13.513 1.00 52.30 H new ATOM 0 HG SER A 50 79.984 -39.010 -11.908 1.00 13.10 H new ATOM 715 N TYR A 51 77.002 -40.110 -9.917 1.00 53.32 N ATOM 716 CA TYR A 51 76.912 -39.917 -8.475 1.00 2.23 C ATOM 717 C TYR A 51 77.253 -41.203 -7.730 1.00 34.33 C ATOM 718 O TYR A 51 77.726 -41.170 -6.594 1.00 13.40 O ATOM 719 CB TYR A 51 75.508 -39.447 -8.089 1.00 10.12 C ATOM 720 CG TYR A 51 74.462 -40.536 -8.170 1.00 63.10 C ATOM 721 CD1 TYR A 51 73.996 -40.989 -9.397 1.00 0.10 C ATOM 722 CD2 TYR A 51 73.940 -41.112 -7.017 1.00 64.42 C ATOM 723 CE1 TYR A 51 73.039 -41.983 -9.476 1.00 23.21 C ATOM 724 CE2 TYR A 51 72.985 -42.108 -7.087 1.00 21.31 C ATOM 725 CZ TYR A 51 72.538 -42.539 -8.318 1.00 13.11 C ATOM 726 OH TYR A 51 71.587 -43.530 -8.391 1.00 53.43 O ATOM 0 H TYR A 51 76.155 -39.865 -10.429 1.00 53.32 H new ATOM 0 HA TYR A 51 77.635 -39.152 -8.191 1.00 2.23 H new ATOM 0 HB2 TYR A 51 75.532 -39.053 -7.073 1.00 10.12 H new ATOM 0 HB3 TYR A 51 75.216 -38.625 -8.743 1.00 10.12 H new ATOM 0 HD1 TYR A 51 74.388 -40.557 -10.306 1.00 0.10 H new ATOM 0 HD2 TYR A 51 74.287 -40.775 -6.051 1.00 64.42 H new ATOM 0 HE1 TYR A 51 72.686 -42.322 -10.439 1.00 23.21 H new ATOM 0 HE2 TYR A 51 72.591 -42.547 -6.182 1.00 21.31 H new ATOM 0 HH TYR A 51 71.341 -43.814 -7.486 1.00 53.43 H new ATOM 736 N ALA A 52 77.009 -42.337 -8.379 1.00 60.22 N ATOM 737 CA ALA A 52 77.292 -43.636 -7.781 1.00 22.31 C ATOM 738 C ALA A 52 78.638 -44.176 -8.251 1.00 71.24 C ATOM 739 O ALA A 52 78.775 -45.364 -8.541 1.00 11.41 O ATOM 740 CB ALA A 52 76.182 -44.622 -8.110 1.00 52.04 C ATOM 0 H ALA A 52 76.616 -42.382 -9.319 1.00 60.22 H new ATOM 0 HA ALA A 52 77.340 -43.507 -6.700 1.00 22.31 H new ATOM 0 HB1 ALA A 52 76.407 -45.588 -7.657 1.00 52.04 H new ATOM 0 HB2 ALA A 52 75.236 -44.249 -7.718 1.00 52.04 H new ATOM 0 HB3 ALA A 52 76.107 -44.737 -9.191 1.00 52.04 H new ATOM 746 N GLY A 53 79.631 -43.295 -8.327 1.00 1.54 N ATOM 747 CA GLY A 53 80.954 -43.702 -8.765 1.00 13.15 C ATOM 748 C GLY A 53 82.057 -42.913 -8.088 1.00 73.52 C ATOM 749 O GLY A 53 82.597 -43.341 -7.068 1.00 15.05 O ATOM 0 H GLY A 53 79.543 -42.306 -8.093 1.00 1.54 H new ATOM 0 HA2 GLY A 53 81.091 -44.763 -8.558 1.00 13.15 H new ATOM 0 HA3 GLY A 53 81.031 -43.575 -9.845 1.00 13.15 H new ATOM 753 N GLN A 54 82.394 -41.761 -8.658 1.00 13.34 N ATOM 754 CA GLN A 54 83.441 -40.913 -8.102 1.00 25.31 C ATOM 755 C GLN A 54 83.563 -39.611 -8.889 1.00 74.35 C ATOM 756 O GLN A 54 83.712 -39.625 -10.110 1.00 25.14 O ATOM 757 CB GLN A 54 84.781 -41.652 -8.107 1.00 21.32 C ATOM 758 CG GLN A 54 85.698 -41.258 -6.960 1.00 70.13 C ATOM 759 CD GLN A 54 86.647 -42.371 -6.563 1.00 10.33 C ATOM 760 OE1 GLN A 54 87.462 -42.825 -7.367 1.00 5.45 O ATOM 761 NE2 GLN A 54 86.547 -42.818 -5.316 1.00 13.22 N ATOM 0 H GLN A 54 81.958 -41.394 -9.504 1.00 13.34 H new ATOM 0 HA GLN A 54 83.170 -40.671 -7.074 1.00 25.31 H new ATOM 0 HB2 GLN A 54 84.595 -42.725 -8.060 1.00 21.32 H new ATOM 0 HB3 GLN A 54 85.290 -41.458 -9.051 1.00 21.32 H new ATOM 0 HG2 GLN A 54 86.275 -40.379 -7.247 1.00 70.13 H new ATOM 0 HG3 GLN A 54 85.094 -40.976 -6.098 1.00 70.13 H new ATOM 0 HE21 GLN A 54 85.857 -42.413 -4.683 1.00 13.22 H new ATOM 0 HE22 GLN A 54 87.160 -43.566 -4.992 1.00 13.22 H new ATOM 770 N GLY A 55 83.497 -38.489 -8.180 1.00 51.21 N ATOM 771 CA GLY A 55 83.601 -37.195 -8.829 1.00 14.42 C ATOM 772 C GLY A 55 84.339 -36.178 -7.982 1.00 30.30 C ATOM 773 O GLY A 55 83.731 -35.463 -7.186 1.00 73.10 O ATOM 0 H GLY A 55 83.373 -38.453 -7.168 1.00 51.21 H new ATOM 0 HA2 GLY A 55 84.116 -37.311 -9.783 1.00 14.42 H new ATOM 0 HA3 GLY A 55 82.601 -36.822 -9.050 1.00 14.42 H new ATOM 777 N VAL A 56 85.657 -36.115 -8.150 1.00 74.31 N ATOM 778 CA VAL A 56 86.480 -35.179 -7.393 1.00 61.45 C ATOM 779 C VAL A 56 86.527 -33.815 -8.073 1.00 73.41 C ATOM 780 O VAL A 56 87.552 -33.424 -8.631 1.00 60.01 O ATOM 781 CB VAL A 56 87.918 -35.707 -7.224 1.00 55.53 C ATOM 782 CG1 VAL A 56 88.705 -34.816 -6.276 1.00 31.43 C ATOM 783 CG2 VAL A 56 87.902 -37.145 -6.728 1.00 5.20 C ATOM 0 H VAL A 56 86.177 -36.701 -8.803 1.00 74.31 H new ATOM 0 HA VAL A 56 86.021 -35.076 -6.410 1.00 61.45 H new ATOM 0 HB VAL A 56 88.411 -35.688 -8.196 1.00 55.53 H new ATOM 0 HG11 VAL A 56 89.718 -35.204 -6.169 1.00 31.43 H new ATOM 0 HG12 VAL A 56 88.745 -33.803 -6.677 1.00 31.43 H new ATOM 0 HG13 VAL A 56 88.217 -34.801 -5.301 1.00 31.43 H new ATOM 0 HG21 VAL A 56 88.926 -37.502 -6.614 1.00 5.20 H new ATOM 0 HG22 VAL A 56 87.392 -37.192 -5.766 1.00 5.20 H new ATOM 0 HG23 VAL A 56 87.377 -37.772 -7.448 1.00 5.20 H new ATOM 793 N ARG A 57 85.412 -33.096 -8.022 1.00 32.14 N ATOM 794 CA ARG A 57 85.325 -31.775 -8.632 1.00 61.43 C ATOM 795 C ARG A 57 83.962 -31.142 -8.368 1.00 21.04 C ATOM 796 O ARG A 57 82.945 -31.832 -8.317 1.00 53.35 O ATOM 797 CB ARG A 57 85.572 -31.870 -10.139 1.00 0.01 C ATOM 798 CG ARG A 57 84.666 -32.868 -10.842 1.00 63.22 C ATOM 799 CD ARG A 57 85.231 -33.274 -12.195 1.00 74.24 C ATOM 800 NE ARG A 57 84.310 -34.130 -12.938 1.00 75.32 N ATOM 801 CZ ARG A 57 84.187 -35.436 -12.726 1.00 73.20 C ATOM 802 NH1 ARG A 57 84.923 -36.033 -11.799 1.00 35.13 N ATOM 803 NH2 ARG A 57 83.325 -36.147 -13.442 1.00 44.03 N ATOM 0 H ARG A 57 84.555 -33.406 -7.564 1.00 32.14 H new ATOM 0 HA ARG A 57 86.092 -31.144 -8.183 1.00 61.43 H new ATOM 0 HB2 ARG A 57 85.430 -30.886 -10.585 1.00 0.01 H new ATOM 0 HB3 ARG A 57 86.611 -32.151 -10.312 1.00 0.01 H new ATOM 0 HG2 ARG A 57 84.543 -33.753 -10.217 1.00 63.22 H new ATOM 0 HG3 ARG A 57 83.676 -32.432 -10.976 1.00 63.22 H new ATOM 0 HD2 ARG A 57 85.448 -32.380 -12.780 1.00 74.24 H new ATOM 0 HD3 ARG A 57 86.176 -33.797 -12.051 1.00 74.24 H new ATOM 0 HE ARG A 57 83.729 -33.702 -13.659 1.00 75.32 H new ATOM 0 HH11 ARG A 57 85.586 -35.490 -11.246 1.00 35.13 H new ATOM 0 HH12 ARG A 57 84.826 -37.036 -11.639 1.00 35.13 H new ATOM 0 HH21 ARG A 57 82.756 -35.691 -14.156 1.00 44.03 H new ATOM 0 HH22 ARG A 57 83.231 -37.149 -13.279 1.00 44.03 H new ATOM 817 N VAL A 58 83.951 -29.824 -8.199 1.00 1.43 N ATOM 818 CA VAL A 58 82.714 -29.096 -7.941 1.00 32.12 C ATOM 819 C VAL A 58 82.767 -27.693 -8.535 1.00 70.00 C ATOM 820 O VAL A 58 83.818 -27.055 -8.550 1.00 23.31 O ATOM 821 CB VAL A 58 82.429 -28.992 -6.430 1.00 44.01 C ATOM 822 CG1 VAL A 58 81.145 -28.215 -6.181 1.00 61.35 C ATOM 823 CG2 VAL A 58 82.353 -30.378 -5.807 1.00 4.05 C ATOM 0 H VAL A 58 84.785 -29.238 -8.236 1.00 1.43 H new ATOM 0 HA VAL A 58 81.911 -29.658 -8.417 1.00 32.12 H new ATOM 0 HB VAL A 58 83.249 -28.451 -5.959 1.00 44.01 H new ATOM 0 HG11 VAL A 58 80.960 -28.152 -5.109 1.00 61.35 H new ATOM 0 HG12 VAL A 58 81.242 -27.210 -6.592 1.00 61.35 H new ATOM 0 HG13 VAL A 58 80.311 -28.725 -6.663 1.00 61.35 H new ATOM 0 HG21 VAL A 58 82.151 -30.287 -4.740 1.00 4.05 H new ATOM 0 HG22 VAL A 58 81.552 -30.946 -6.280 1.00 4.05 H new ATOM 0 HG23 VAL A 58 83.301 -30.895 -5.954 1.00 4.05 H new ATOM 833 N GLU A 59 81.624 -27.220 -9.022 1.00 43.21 N ATOM 834 CA GLU A 59 81.541 -25.891 -9.617 1.00 45.13 C ATOM 835 C GLU A 59 80.678 -24.966 -8.766 1.00 13.14 C ATOM 836 O GLU A 59 80.282 -25.316 -7.655 1.00 54.13 O ATOM 837 CB GLU A 59 80.970 -25.978 -11.035 1.00 12.22 C ATOM 838 CG GLU A 59 81.608 -27.066 -11.882 1.00 41.54 C ATOM 839 CD GLU A 59 81.648 -26.708 -13.356 1.00 71.54 C ATOM 840 OE1 GLU A 59 80.969 -25.736 -13.749 1.00 25.42 O ATOM 841 OE2 GLU A 59 82.358 -27.400 -14.115 1.00 53.34 O ATOM 0 H GLU A 59 80.744 -27.736 -9.016 1.00 43.21 H new ATOM 0 HA GLU A 59 82.549 -25.478 -9.663 1.00 45.13 H new ATOM 0 HB2 GLU A 59 79.897 -26.158 -10.975 1.00 12.22 H new ATOM 0 HB3 GLU A 59 81.104 -25.017 -11.531 1.00 12.22 H new ATOM 0 HG2 GLU A 59 82.623 -27.249 -11.528 1.00 41.54 H new ATOM 0 HG3 GLU A 59 81.053 -27.995 -11.752 1.00 41.54 H new ATOM 848 N GLY A 60 80.391 -23.779 -9.294 1.00 53.13 N ATOM 849 CA GLY A 60 79.578 -22.821 -8.568 1.00 51.15 C ATOM 850 C GLY A 60 78.098 -22.976 -8.863 1.00 24.22 C ATOM 851 O GLY A 60 77.613 -22.513 -9.895 1.00 52.11 O ATOM 0 H GLY A 60 80.707 -23.464 -10.211 1.00 53.13 H new ATOM 0 HA2 GLY A 60 79.747 -22.943 -7.498 1.00 51.15 H new ATOM 0 HA3 GLY A 60 79.893 -21.810 -8.828 1.00 51.15 H new ATOM 855 N SER A 61 77.381 -23.630 -7.955 1.00 12.51 N ATOM 856 CA SER A 61 75.950 -23.848 -8.125 1.00 55.32 C ATOM 857 C SER A 61 75.245 -23.911 -6.773 1.00 21.10 C ATOM 858 O SER A 61 75.873 -24.163 -5.745 1.00 51.34 O ATOM 859 CB SER A 61 75.699 -25.142 -8.903 1.00 42.12 C ATOM 860 OG SER A 61 76.773 -25.423 -9.784 1.00 71.20 O ATOM 0 H SER A 61 77.768 -24.018 -7.095 1.00 12.51 H new ATOM 0 HA SER A 61 75.544 -23.008 -8.688 1.00 55.32 H new ATOM 0 HB2 SER A 61 75.570 -25.970 -8.206 1.00 42.12 H new ATOM 0 HB3 SER A 61 74.772 -25.055 -9.470 1.00 42.12 H new ATOM 0 HG SER A 61 76.590 -26.255 -10.268 1.00 71.20 H new ATOM 866 N SER A 62 73.936 -23.678 -6.784 1.00 22.11 N ATOM 867 CA SER A 62 73.145 -23.703 -5.560 1.00 31.54 C ATOM 868 C SER A 62 72.294 -24.967 -5.489 1.00 74.11 C ATOM 869 O SER A 62 71.209 -25.048 -6.066 1.00 73.33 O ATOM 870 CB SER A 62 72.250 -22.466 -5.479 1.00 60.13 C ATOM 871 OG SER A 62 71.861 -22.033 -6.772 1.00 31.13 O ATOM 0 H SER A 62 73.401 -23.470 -7.627 1.00 22.11 H new ATOM 0 HA SER A 62 73.832 -23.700 -4.714 1.00 31.54 H new ATOM 0 HB2 SER A 62 71.364 -22.692 -4.886 1.00 60.13 H new ATOM 0 HB3 SER A 62 72.780 -21.663 -4.967 1.00 60.13 H new ATOM 0 HG SER A 62 71.288 -21.242 -6.693 1.00 31.13 H new ATOM 877 N PRO A 63 72.795 -25.979 -4.764 1.00 2.31 N ATOM 878 CA PRO A 63 72.097 -27.257 -4.600 1.00 13.15 C ATOM 879 C PRO A 63 70.847 -27.129 -3.735 1.00 2.34 C ATOM 880 O PRO A 63 70.621 -26.096 -3.104 1.00 32.51 O ATOM 881 CB PRO A 63 73.137 -28.142 -3.908 1.00 11.30 C ATOM 882 CG PRO A 63 74.033 -27.189 -3.195 1.00 45.22 C ATOM 883 CD PRO A 63 74.082 -25.951 -4.049 1.00 25.24 C ATOM 0 HA PRO A 63 71.744 -27.654 -5.552 1.00 13.15 H new ATOM 0 HB2 PRO A 63 72.666 -28.837 -3.213 1.00 11.30 H new ATOM 0 HB3 PRO A 63 73.691 -28.741 -4.631 1.00 11.30 H new ATOM 0 HG2 PRO A 63 73.650 -26.962 -2.200 1.00 45.22 H new ATOM 0 HG3 PRO A 63 75.029 -27.613 -3.064 1.00 45.22 H new ATOM 0 HD2 PRO A 63 74.187 -25.050 -3.445 1.00 25.24 H new ATOM 0 HD3 PRO A 63 74.926 -25.972 -4.739 1.00 25.24 H new ATOM 891 N SER A 64 70.038 -28.182 -3.712 1.00 60.03 N ATOM 892 CA SER A 64 68.809 -28.186 -2.928 1.00 1.12 C ATOM 893 C SER A 64 68.958 -29.061 -1.686 1.00 63.15 C ATOM 894 O SER A 64 69.598 -30.113 -1.728 1.00 4.22 O ATOM 895 CB SER A 64 67.638 -28.681 -3.777 1.00 71.12 C ATOM 896 OG SER A 64 66.414 -28.116 -3.339 1.00 60.44 O ATOM 0 H SER A 64 70.211 -29.045 -4.228 1.00 60.03 H new ATOM 0 HA SER A 64 68.609 -27.163 -2.608 1.00 1.12 H new ATOM 0 HB2 SER A 64 67.808 -28.422 -4.822 1.00 71.12 H new ATOM 0 HB3 SER A 64 67.580 -29.768 -3.723 1.00 71.12 H new ATOM 0 HG SER A 64 65.695 -28.775 -3.439 1.00 60.44 H new ATOM 902 N LEU A 65 68.364 -28.619 -0.583 1.00 45.52 N ATOM 903 CA LEU A 65 68.430 -29.361 0.670 1.00 31.24 C ATOM 904 C LEU A 65 67.068 -29.943 1.031 1.00 12.44 C ATOM 905 O LEU A 65 66.079 -29.216 1.139 1.00 52.12 O ATOM 906 CB LEU A 65 68.924 -28.453 1.797 1.00 32.33 C ATOM 907 CG LEU A 65 68.251 -28.643 3.157 1.00 15.11 C ATOM 908 CD1 LEU A 65 68.512 -30.043 3.690 1.00 33.31 C ATOM 909 CD2 LEU A 65 68.738 -27.595 4.145 1.00 13.24 C ATOM 0 H LEU A 65 67.831 -27.751 -0.531 1.00 45.52 H new ATOM 0 HA LEU A 65 69.133 -30.184 0.540 1.00 31.24 H new ATOM 0 HB2 LEU A 65 69.996 -28.610 1.919 1.00 32.33 H new ATOM 0 HB3 LEU A 65 68.787 -27.417 1.488 1.00 32.33 H new ATOM 0 HG LEU A 65 67.176 -28.519 3.029 1.00 15.11 H new ATOM 0 HD11 LEU A 65 68.026 -30.160 4.658 1.00 33.31 H new ATOM 0 HD12 LEU A 65 68.112 -30.778 2.992 1.00 33.31 H new ATOM 0 HD13 LEU A 65 69.585 -30.195 3.802 1.00 33.31 H new ATOM 0 HD21 LEU A 65 68.248 -27.746 5.107 1.00 13.24 H new ATOM 0 HD22 LEU A 65 69.817 -27.686 4.269 1.00 13.24 H new ATOM 0 HD23 LEU A 65 68.498 -26.601 3.768 1.00 13.24 H new ATOM 921 N PHE A 66 67.022 -31.258 1.218 1.00 0.35 N ATOM 922 CA PHE A 66 65.781 -31.938 1.568 1.00 10.44 C ATOM 923 C PHE A 66 65.653 -32.094 3.080 1.00 31.44 C ATOM 924 O PHE A 66 66.407 -32.842 3.704 1.00 31.22 O ATOM 925 CB PHE A 66 65.719 -33.311 0.895 1.00 33.13 C ATOM 926 CG PHE A 66 64.464 -33.533 0.101 1.00 54.44 C ATOM 927 CD1 PHE A 66 63.280 -33.880 0.732 1.00 11.20 C ATOM 928 CD2 PHE A 66 64.467 -33.395 -1.278 1.00 74.34 C ATOM 929 CE1 PHE A 66 62.124 -34.085 0.003 1.00 13.34 C ATOM 930 CE2 PHE A 66 63.314 -33.598 -2.012 1.00 51.12 C ATOM 931 CZ PHE A 66 62.140 -33.945 -1.370 1.00 70.53 C ATOM 0 H PHE A 66 67.831 -31.874 1.133 1.00 0.35 H new ATOM 0 HA PHE A 66 64.950 -31.329 1.212 1.00 10.44 H new ATOM 0 HB2 PHE A 66 66.581 -33.423 0.237 1.00 33.13 H new ATOM 0 HB3 PHE A 66 65.798 -34.085 1.658 1.00 33.13 H new ATOM 0 HD1 PHE A 66 63.260 -33.992 1.806 1.00 11.20 H new ATOM 0 HD2 PHE A 66 65.382 -33.126 -1.785 1.00 74.34 H new ATOM 0 HE1 PHE A 66 61.208 -34.355 0.508 1.00 13.34 H new ATOM 0 HE2 PHE A 66 63.330 -33.486 -3.086 1.00 51.12 H new ATOM 0 HZ PHE A 66 61.238 -34.106 -1.941 1.00 70.53 H new ATOM 941 N VAL A 67 64.695 -31.382 3.665 1.00 64.35 N ATOM 942 CA VAL A 67 64.468 -31.441 5.104 1.00 40.10 C ATOM 943 C VAL A 67 62.979 -31.418 5.426 1.00 1.23 C ATOM 944 O VAL A 67 62.150 -31.124 4.565 1.00 44.12 O ATOM 945 CB VAL A 67 65.158 -30.270 5.829 1.00 12.44 C ATOM 946 CG1 VAL A 67 66.606 -30.613 6.140 1.00 23.21 C ATOM 947 CG2 VAL A 67 65.069 -29.001 4.996 1.00 41.13 C ATOM 0 H VAL A 67 64.063 -30.757 3.164 1.00 64.35 H new ATOM 0 HA VAL A 67 64.898 -32.379 5.455 1.00 40.10 H new ATOM 0 HB VAL A 67 64.641 -30.095 6.772 1.00 12.44 H new ATOM 0 HG11 VAL A 67 67.077 -29.774 6.652 1.00 23.21 H new ATOM 0 HG12 VAL A 67 66.642 -31.495 6.780 1.00 23.21 H new ATOM 0 HG13 VAL A 67 67.139 -30.817 5.211 1.00 23.21 H new ATOM 0 HG21 VAL A 67 65.562 -28.184 5.524 1.00 41.13 H new ATOM 0 HG22 VAL A 67 65.560 -29.161 4.036 1.00 41.13 H new ATOM 0 HG23 VAL A 67 64.022 -28.747 4.831 1.00 41.13 H new ATOM 957 N ARG A 68 62.644 -31.729 6.675 1.00 71.23 N ATOM 958 CA ARG A 68 61.254 -31.745 7.111 1.00 14.31 C ATOM 959 C ARG A 68 60.883 -30.433 7.796 1.00 64.14 C ATOM 960 O ARG A 68 61.612 -29.943 8.660 1.00 63.24 O ATOM 961 CB ARG A 68 61.009 -32.917 8.065 1.00 2.13 C ATOM 962 CG ARG A 68 59.927 -32.646 9.097 1.00 11.20 C ATOM 963 CD ARG A 68 59.454 -33.932 9.758 1.00 11.52 C ATOM 964 NE ARG A 68 60.459 -34.989 9.681 1.00 12.32 N ATOM 965 CZ ARG A 68 61.482 -35.091 10.521 1.00 25.13 C ATOM 966 NH1 ARG A 68 61.635 -34.206 11.496 1.00 20.20 N ATOM 967 NH2 ARG A 68 62.356 -36.081 10.387 1.00 55.35 N ATOM 0 H ARG A 68 63.317 -31.973 7.402 1.00 71.23 H new ATOM 0 HA ARG A 68 60.625 -31.865 6.229 1.00 14.31 H new ATOM 0 HB2 ARG A 68 60.732 -33.796 7.483 1.00 2.13 H new ATOM 0 HB3 ARG A 68 61.939 -33.156 8.580 1.00 2.13 H new ATOM 0 HG2 ARG A 68 60.310 -31.964 9.857 1.00 11.20 H new ATOM 0 HG3 ARG A 68 59.083 -32.149 8.619 1.00 11.20 H new ATOM 0 HD2 ARG A 68 59.214 -33.735 10.803 1.00 11.52 H new ATOM 0 HD3 ARG A 68 58.535 -34.270 9.278 1.00 11.52 H new ATOM 0 HE ARG A 68 60.370 -35.686 8.942 1.00 12.32 H new ATOM 0 HH11 ARG A 68 60.966 -33.444 11.603 1.00 20.20 H new ATOM 0 HH12 ARG A 68 62.422 -34.287 12.140 1.00 20.20 H new ATOM 0 HH21 ARG A 68 62.242 -36.764 9.638 1.00 55.35 H new ATOM 0 HH22 ARG A 68 63.142 -36.159 11.033 1.00 55.35 H new ATOM 981 N THR A 69 59.746 -29.866 7.404 1.00 63.12 N ATOM 982 CA THR A 69 59.281 -28.610 7.977 1.00 4.30 C ATOM 983 C THR A 69 59.427 -28.611 9.495 1.00 43.24 C ATOM 984 O THR A 69 59.750 -27.586 10.096 1.00 32.13 O ATOM 985 CB THR A 69 57.809 -28.338 7.614 1.00 74.03 C ATOM 986 OG1 THR A 69 57.727 -27.732 6.320 1.00 53.34 O ATOM 987 CG2 THR A 69 57.155 -27.433 8.647 1.00 62.21 C ATOM 0 H THR A 69 59.130 -30.258 6.691 1.00 63.12 H new ATOM 0 HA THR A 69 59.903 -27.820 7.555 1.00 4.30 H new ATOM 0 HB THR A 69 57.279 -29.290 7.602 1.00 74.03 H new ATOM 0 HG1 THR A 69 58.494 -28.012 5.778 1.00 53.34 H new ATOM 0 HG21 THR A 69 56.116 -27.255 8.369 1.00 62.21 H new ATOM 0 HG22 THR A 69 57.192 -27.912 9.626 1.00 62.21 H new ATOM 0 HG23 THR A 69 57.687 -26.483 8.687 1.00 62.21 H new ATOM 995 N ASP A 70 59.188 -29.765 10.106 1.00 71.52 N ATOM 996 CA ASP A 70 59.296 -29.899 11.555 1.00 52.31 C ATOM 997 C ASP A 70 60.702 -29.547 12.030 1.00 54.14 C ATOM 998 O ASP A 70 60.914 -28.504 12.647 1.00 25.43 O ATOM 999 CB ASP A 70 58.940 -31.323 11.984 1.00 54.15 C ATOM 1000 CG ASP A 70 58.630 -31.421 13.465 1.00 43.05 C ATOM 1001 OD1 ASP A 70 58.235 -30.395 14.057 1.00 61.53 O ATOM 1002 OD2 ASP A 70 58.784 -32.523 14.032 1.00 32.11 O ATOM 0 H ASP A 70 58.918 -30.621 9.622 1.00 71.52 H new ATOM 0 HA ASP A 70 58.593 -29.203 12.013 1.00 52.31 H new ATOM 0 HB2 ASP A 70 58.078 -31.667 11.412 1.00 54.15 H new ATOM 0 HB3 ASP A 70 59.769 -31.989 11.744 1.00 54.15 H new ATOM 1007 N GLU A 71 61.656 -30.425 11.739 1.00 14.10 N ATOM 1008 CA GLU A 71 63.041 -30.207 12.140 1.00 2.01 C ATOM 1009 C GLU A 71 63.560 -28.876 11.602 1.00 13.45 C ATOM 1010 O GLU A 71 64.313 -28.173 12.275 1.00 25.53 O ATOM 1011 CB GLU A 71 63.926 -31.351 11.640 1.00 1.44 C ATOM 1012 CG GLU A 71 63.698 -31.704 10.180 1.00 11.33 C ATOM 1013 CD GLU A 71 64.940 -32.262 9.514 1.00 51.13 C ATOM 1014 OE1 GLU A 71 65.956 -32.448 10.216 1.00 42.11 O ATOM 1015 OE2 GLU A 71 64.897 -32.514 8.292 1.00 3.42 O ATOM 0 H GLU A 71 61.496 -31.293 11.228 1.00 14.10 H new ATOM 0 HA GLU A 71 63.077 -30.178 13.229 1.00 2.01 H new ATOM 0 HB2 GLU A 71 64.972 -31.078 11.780 1.00 1.44 H new ATOM 0 HB3 GLU A 71 63.743 -32.235 12.251 1.00 1.44 H new ATOM 0 HG2 GLU A 71 62.892 -32.435 10.108 1.00 11.33 H new ATOM 0 HG3 GLU A 71 63.370 -30.815 9.642 1.00 11.33 H new ATOM 1022 N VAL A 72 63.151 -28.537 10.384 1.00 62.25 N ATOM 1023 CA VAL A 72 63.573 -27.292 9.755 1.00 42.32 C ATOM 1024 C VAL A 72 62.963 -26.085 10.460 1.00 71.00 C ATOM 1025 O VAL A 72 63.512 -24.985 10.417 1.00 2.10 O ATOM 1026 CB VAL A 72 63.181 -27.254 8.266 1.00 41.12 C ATOM 1027 CG1 VAL A 72 61.942 -26.395 8.061 1.00 44.15 C ATOM 1028 CG2 VAL A 72 64.340 -26.742 7.422 1.00 35.34 C ATOM 0 H VAL A 72 62.527 -29.108 9.813 1.00 62.25 H new ATOM 0 HA VAL A 72 64.659 -27.248 9.839 1.00 42.32 H new ATOM 0 HB VAL A 72 62.948 -28.269 7.944 1.00 41.12 H new ATOM 0 HG11 VAL A 72 61.680 -26.380 7.003 1.00 44.15 H new ATOM 0 HG12 VAL A 72 61.113 -26.810 8.634 1.00 44.15 H new ATOM 0 HG13 VAL A 72 62.144 -25.379 8.399 1.00 44.15 H new ATOM 0 HG21 VAL A 72 64.045 -26.722 6.373 1.00 35.34 H new ATOM 0 HG22 VAL A 72 64.607 -25.735 7.743 1.00 35.34 H new ATOM 0 HG23 VAL A 72 65.199 -27.402 7.545 1.00 35.34 H new ATOM 1038 N ARG A 73 61.823 -26.301 11.109 1.00 30.23 N ATOM 1039 CA ARG A 73 61.137 -25.231 11.824 1.00 61.21 C ATOM 1040 C ARG A 73 61.841 -24.919 13.141 1.00 34.40 C ATOM 1041 O ARG A 73 61.957 -23.759 13.535 1.00 40.45 O ATOM 1042 CB ARG A 73 59.681 -25.618 12.090 1.00 65.25 C ATOM 1043 CG ARG A 73 58.993 -24.732 13.116 1.00 44.04 C ATOM 1044 CD ARG A 73 57.497 -24.999 13.169 1.00 71.35 C ATOM 1045 NE ARG A 73 56.763 -24.204 12.188 1.00 70.23 N ATOM 1046 CZ ARG A 73 56.500 -22.911 12.339 1.00 34.25 C ATOM 1047 NH1 ARG A 73 56.910 -22.271 13.427 1.00 14.42 N ATOM 1048 NH2 ARG A 73 55.827 -22.255 11.403 1.00 0.13 N ATOM 0 H ARG A 73 61.355 -27.206 11.154 1.00 30.23 H new ATOM 0 HA ARG A 73 61.160 -24.338 11.200 1.00 61.21 H new ATOM 0 HB2 ARG A 73 59.125 -25.574 11.153 1.00 65.25 H new ATOM 0 HB3 ARG A 73 59.646 -26.652 12.433 1.00 65.25 H new ATOM 0 HG2 ARG A 73 59.430 -24.906 14.099 1.00 44.04 H new ATOM 0 HG3 ARG A 73 59.168 -23.685 12.870 1.00 44.04 H new ATOM 0 HD2 ARG A 73 57.311 -26.058 12.989 1.00 71.35 H new ATOM 0 HD3 ARG A 73 57.124 -24.775 14.169 1.00 71.35 H new ATOM 0 HE ARG A 73 56.434 -24.667 11.341 1.00 70.23 H new ATOM 0 HH11 ARG A 73 57.428 -22.772 14.149 1.00 14.42 H new ATOM 0 HH12 ARG A 73 56.707 -21.278 13.541 1.00 14.42 H new ATOM 0 HH21 ARG A 73 55.510 -22.744 10.565 1.00 0.13 H new ATOM 0 HH22 ARG A 73 55.626 -21.262 11.521 1.00 0.13 H new ATOM 1062 N GLN A 74 62.308 -25.963 13.819 1.00 44.11 N ATOM 1063 CA GLN A 74 62.999 -25.801 15.092 1.00 4.23 C ATOM 1064 C GLN A 74 64.173 -24.836 14.955 1.00 21.43 C ATOM 1065 O GLN A 74 64.548 -24.159 15.912 1.00 21.34 O ATOM 1066 CB GLN A 74 63.492 -27.154 15.606 1.00 62.35 C ATOM 1067 CG GLN A 74 62.389 -28.021 16.192 1.00 3.32 C ATOM 1068 CD GLN A 74 62.878 -28.901 17.325 1.00 62.50 C ATOM 1069 OE1 GLN A 74 63.478 -29.953 17.095 1.00 12.20 O ATOM 1070 NE2 GLN A 74 62.627 -28.476 18.557 1.00 12.42 N ATOM 0 H GLN A 74 62.220 -26.930 13.507 1.00 44.11 H new ATOM 0 HA GLN A 74 62.292 -25.385 15.810 1.00 4.23 H new ATOM 0 HB2 GLN A 74 63.969 -27.692 14.787 1.00 62.35 H new ATOM 0 HB3 GLN A 74 64.255 -26.988 16.366 1.00 62.35 H new ATOM 0 HG2 GLN A 74 61.584 -27.382 16.555 1.00 3.32 H new ATOM 0 HG3 GLN A 74 61.968 -28.648 15.406 1.00 3.32 H new ATOM 0 HE21 GLN A 74 62.127 -27.599 18.702 1.00 12.42 H new ATOM 0 HE22 GLN A 74 62.934 -29.027 19.359 1.00 12.42 H new ATOM 1079 N LEU A 75 64.750 -24.781 13.760 1.00 13.23 N ATOM 1080 CA LEU A 75 65.882 -23.900 13.497 1.00 2.23 C ATOM 1081 C LEU A 75 65.407 -22.512 13.078 1.00 44.32 C ATOM 1082 O LEU A 75 64.208 -22.231 13.069 1.00 72.53 O ATOM 1083 CB LEU A 75 66.776 -24.496 12.409 1.00 44.05 C ATOM 1084 CG LEU A 75 67.636 -25.690 12.824 1.00 32.11 C ATOM 1085 CD1 LEU A 75 66.982 -26.994 12.394 1.00 10.34 C ATOM 1086 CD2 LEU A 75 69.033 -25.572 12.235 1.00 20.24 C ATOM 0 H LEU A 75 64.453 -25.336 12.958 1.00 13.23 H new ATOM 0 HA LEU A 75 66.457 -23.804 14.418 1.00 2.23 H new ATOM 0 HB2 LEU A 75 66.144 -24.802 11.575 1.00 44.05 H new ATOM 0 HB3 LEU A 75 67.435 -23.711 12.038 1.00 44.05 H new ATOM 0 HG LEU A 75 67.721 -25.691 13.911 1.00 32.11 H new ATOM 0 HD11 LEU A 75 67.608 -27.833 12.698 1.00 10.34 H new ATOM 0 HD12 LEU A 75 66.003 -27.083 12.865 1.00 10.34 H new ATOM 0 HD13 LEU A 75 66.865 -27.002 11.310 1.00 10.34 H new ATOM 0 HD21 LEU A 75 69.631 -26.431 12.541 1.00 20.24 H new ATOM 0 HD22 LEU A 75 68.968 -25.544 11.147 1.00 20.24 H new ATOM 0 HD23 LEU A 75 69.503 -24.656 12.594 1.00 20.24 H new ATOM 1098 N ARG A 76 66.355 -21.648 12.729 1.00 31.51 N ATOM 1099 CA ARG A 76 66.034 -20.290 12.308 1.00 51.45 C ATOM 1100 C ARG A 76 66.287 -20.110 10.814 1.00 74.43 C ATOM 1101 O ARG A 76 67.278 -20.606 10.278 1.00 23.13 O ATOM 1102 CB ARG A 76 66.861 -19.278 13.101 1.00 13.43 C ATOM 1103 CG ARG A 76 66.834 -17.876 12.515 1.00 50.13 C ATOM 1104 CD ARG A 76 67.259 -16.834 13.538 1.00 34.41 C ATOM 1105 NE ARG A 76 68.074 -15.780 12.941 1.00 34.20 N ATOM 1106 CZ ARG A 76 69.350 -15.937 12.608 1.00 72.23 C ATOM 1107 NH1 ARG A 76 69.953 -17.101 12.811 1.00 12.34 N ATOM 1108 NH2 ARG A 76 70.025 -14.931 12.069 1.00 24.02 N ATOM 0 H ARG A 76 67.352 -21.865 12.730 1.00 31.51 H new ATOM 0 HA ARG A 76 64.976 -20.117 12.504 1.00 51.45 H new ATOM 0 HB2 ARG A 76 66.490 -19.242 14.125 1.00 13.43 H new ATOM 0 HB3 ARG A 76 67.894 -19.623 13.148 1.00 13.43 H new ATOM 0 HG2 ARG A 76 67.496 -17.829 11.651 1.00 50.13 H new ATOM 0 HG3 ARG A 76 65.829 -17.649 12.159 1.00 50.13 H new ATOM 0 HD2 ARG A 76 66.373 -16.392 13.995 1.00 34.41 H new ATOM 0 HD3 ARG A 76 67.821 -17.318 14.336 1.00 34.41 H new ATOM 0 HE ARG A 76 67.639 -14.873 12.770 1.00 34.20 H new ATOM 0 HH11 ARG A 76 69.437 -17.878 13.224 1.00 12.34 H new ATOM 0 HH12 ARG A 76 70.933 -17.219 12.554 1.00 12.34 H new ATOM 0 HH21 ARG A 76 69.564 -14.035 11.910 1.00 24.02 H new ATOM 0 HH22 ARG A 76 71.005 -15.053 11.814 1.00 24.02 H new ATOM 1122 N ARG A 77 65.384 -19.399 10.147 1.00 10.54 N ATOM 1123 CA ARG A 77 65.508 -19.155 8.715 1.00 53.11 C ATOM 1124 C ARG A 77 66.911 -18.666 8.367 1.00 61.30 C ATOM 1125 O ARG A 77 67.281 -17.535 8.678 1.00 73.10 O ATOM 1126 CB ARG A 77 64.470 -18.128 8.259 1.00 71.11 C ATOM 1127 CG ARG A 77 64.513 -16.828 9.046 1.00 74.32 C ATOM 1128 CD ARG A 77 63.136 -16.189 9.141 1.00 72.25 C ATOM 1129 NE ARG A 77 63.211 -14.731 9.173 1.00 11.14 N ATOM 1130 CZ ARG A 77 63.530 -13.987 8.120 1.00 72.20 C ATOM 1131 NH1 ARG A 77 63.802 -14.562 6.956 1.00 32.00 N ATOM 1132 NH2 ARG A 77 63.577 -12.666 8.228 1.00 30.34 N ATOM 0 H ARG A 77 64.558 -18.982 10.576 1.00 10.54 H new ATOM 0 HA ARG A 77 65.330 -20.096 8.194 1.00 53.11 H new ATOM 0 HB2 ARG A 77 64.628 -17.909 7.203 1.00 71.11 H new ATOM 0 HB3 ARG A 77 63.475 -18.565 8.349 1.00 71.11 H new ATOM 0 HG2 ARG A 77 64.896 -17.021 10.048 1.00 74.32 H new ATOM 0 HG3 ARG A 77 65.205 -16.135 8.568 1.00 74.32 H new ATOM 0 HD2 ARG A 77 62.531 -16.502 8.290 1.00 72.25 H new ATOM 0 HD3 ARG A 77 62.632 -16.546 10.039 1.00 72.25 H new ATOM 0 HE ARG A 77 63.007 -14.258 10.053 1.00 11.14 H new ATOM 0 HH11 ARG A 77 63.766 -15.578 6.868 1.00 32.00 H new ATOM 0 HH12 ARG A 77 64.047 -13.989 6.149 1.00 32.00 H new ATOM 0 HH21 ARG A 77 63.368 -12.220 9.121 1.00 30.34 H new ATOM 0 HH22 ARG A 77 63.822 -12.096 7.418 1.00 30.34 H new ATOM 1146 N GLY A 78 67.688 -19.529 7.718 1.00 31.32 N ATOM 1147 CA GLY A 78 69.041 -19.167 7.340 1.00 63.33 C ATOM 1148 C GLY A 78 70.082 -20.074 7.967 1.00 41.10 C ATOM 1149 O GLY A 78 71.279 -19.797 7.898 1.00 22.42 O ATOM 0 H GLY A 78 67.404 -20.471 7.448 1.00 31.32 H new ATOM 0 HA2 GLY A 78 69.135 -19.208 6.255 1.00 63.33 H new ATOM 0 HA3 GLY A 78 69.235 -18.137 7.638 1.00 63.33 H new ATOM 1153 N ASP A 79 69.625 -21.160 8.580 1.00 42.43 N ATOM 1154 CA ASP A 79 70.524 -22.111 9.222 1.00 72.11 C ATOM 1155 C ASP A 79 71.279 -22.933 8.183 1.00 23.31 C ATOM 1156 O ASP A 79 70.701 -23.783 7.507 1.00 55.35 O ATOM 1157 CB ASP A 79 69.740 -23.039 10.152 1.00 52.34 C ATOM 1158 CG ASP A 79 69.901 -22.667 11.613 1.00 45.41 C ATOM 1159 OD1 ASP A 79 70.919 -23.064 12.218 1.00 11.43 O ATOM 1160 OD2 ASP A 79 69.010 -21.977 12.150 1.00 12.43 O ATOM 0 H ASP A 79 68.637 -21.404 8.646 1.00 42.43 H new ATOM 0 HA ASP A 79 71.249 -21.547 9.809 1.00 72.11 H new ATOM 0 HB2 ASP A 79 68.683 -23.006 9.886 1.00 52.34 H new ATOM 0 HB3 ASP A 79 70.075 -24.065 10.003 1.00 52.34 H new ATOM 1165 N THR A 80 72.577 -22.671 8.058 1.00 34.30 N ATOM 1166 CA THR A 80 73.412 -23.383 7.099 1.00 34.42 C ATOM 1167 C THR A 80 73.931 -24.691 7.687 1.00 62.03 C ATOM 1168 O THR A 80 74.769 -24.688 8.590 1.00 23.24 O ATOM 1169 CB THR A 80 74.609 -22.525 6.649 1.00 11.13 C ATOM 1170 OG1 THR A 80 75.637 -23.363 6.108 1.00 13.52 O ATOM 1171 CG2 THR A 80 75.165 -21.719 7.814 1.00 74.45 C ATOM 0 H THR A 80 73.072 -21.970 8.610 1.00 34.30 H new ATOM 0 HA THR A 80 72.785 -23.600 6.234 1.00 34.42 H new ATOM 0 HB THR A 80 74.264 -21.833 5.881 1.00 11.13 H new ATOM 0 HG1 THR A 80 76.035 -22.928 5.325 1.00 13.52 H new ATOM 0 HG21 THR A 80 76.010 -21.121 7.472 1.00 74.45 H new ATOM 0 HG22 THR A 80 74.389 -21.061 8.205 1.00 74.45 H new ATOM 0 HG23 THR A 80 75.495 -22.397 8.601 1.00 74.45 H new ATOM 1179 N LEU A 81 73.429 -25.807 7.170 1.00 64.11 N ATOM 1180 CA LEU A 81 73.843 -27.123 7.644 1.00 25.11 C ATOM 1181 C LEU A 81 74.916 -27.716 6.735 1.00 54.42 C ATOM 1182 O LEU A 81 74.779 -27.713 5.511 1.00 71.42 O ATOM 1183 CB LEU A 81 72.639 -28.064 7.713 1.00 70.53 C ATOM 1184 CG LEU A 81 71.644 -27.967 6.556 1.00 20.02 C ATOM 1185 CD1 LEU A 81 71.470 -29.321 5.887 1.00 21.41 C ATOM 1186 CD2 LEU A 81 70.305 -27.437 7.048 1.00 2.42 C ATOM 0 H LEU A 81 72.735 -25.827 6.423 1.00 64.11 H new ATOM 0 HA LEU A 81 74.263 -27.007 8.643 1.00 25.11 H new ATOM 0 HB2 LEU A 81 73.007 -29.089 7.765 1.00 70.53 H new ATOM 0 HB3 LEU A 81 72.104 -27.870 8.643 1.00 70.53 H new ATOM 0 HG LEU A 81 72.040 -27.269 5.819 1.00 20.02 H new ATOM 0 HD11 LEU A 81 70.758 -29.232 5.066 1.00 21.41 H new ATOM 0 HD12 LEU A 81 72.430 -29.662 5.500 1.00 21.41 H new ATOM 0 HD13 LEU A 81 71.096 -30.041 6.615 1.00 21.41 H new ATOM 0 HD21 LEU A 81 69.609 -27.374 6.212 1.00 2.42 H new ATOM 0 HD22 LEU A 81 69.903 -28.110 7.805 1.00 2.42 H new ATOM 0 HD23 LEU A 81 70.443 -26.446 7.480 1.00 2.42 H new ATOM 1198 N THR A 82 75.982 -28.227 7.342 1.00 41.23 N ATOM 1199 CA THR A 82 77.077 -28.825 6.588 1.00 73.41 C ATOM 1200 C THR A 82 76.864 -30.323 6.404 1.00 55.12 C ATOM 1201 O THR A 82 77.090 -31.110 7.324 1.00 41.51 O ATOM 1202 CB THR A 82 78.431 -28.593 7.284 1.00 24.21 C ATOM 1203 OG1 THR A 82 79.478 -29.230 6.543 1.00 33.13 O ATOM 1204 CG2 THR A 82 78.408 -29.132 8.707 1.00 63.03 C ATOM 0 H THR A 82 76.111 -28.239 8.354 1.00 41.23 H new ATOM 0 HA THR A 82 77.090 -28.340 5.612 1.00 73.41 H new ATOM 0 HB THR A 82 78.616 -27.519 7.323 1.00 24.21 H new ATOM 0 HG1 THR A 82 80.336 -29.077 6.991 1.00 33.13 H new ATOM 0 HG21 THR A 82 79.375 -28.957 9.178 1.00 63.03 H new ATOM 0 HG22 THR A 82 77.630 -28.624 9.276 1.00 63.03 H new ATOM 0 HG23 THR A 82 78.203 -30.202 8.687 1.00 63.03 H new ATOM 1212 N ILE A 83 76.428 -30.712 5.210 1.00 15.44 N ATOM 1213 CA ILE A 83 76.186 -32.117 4.905 1.00 1.44 C ATOM 1214 C ILE A 83 76.667 -32.465 3.501 1.00 74.31 C ATOM 1215 O ILE A 83 76.359 -31.767 2.536 1.00 32.03 O ATOM 1216 CB ILE A 83 74.692 -32.470 5.026 1.00 30.04 C ATOM 1217 CG1 ILE A 83 74.198 -33.135 3.741 1.00 54.55 C ATOM 1218 CG2 ILE A 83 73.875 -31.222 5.331 1.00 64.44 C ATOM 1219 CD1 ILE A 83 73.660 -32.156 2.721 1.00 53.51 C ATOM 0 H ILE A 83 76.235 -30.074 4.438 1.00 15.44 H new ATOM 0 HA ILE A 83 76.749 -32.700 5.634 1.00 1.44 H new ATOM 0 HB ILE A 83 74.565 -33.173 5.849 1.00 30.04 H new ATOM 0 HG12 ILE A 83 75.018 -33.698 3.295 1.00 54.55 H new ATOM 0 HG13 ILE A 83 73.417 -33.853 3.990 1.00 54.55 H new ATOM 0 HG21 ILE A 83 72.821 -31.488 5.413 1.00 64.44 H new ATOM 0 HG22 ILE A 83 74.214 -30.786 6.271 1.00 64.44 H new ATOM 0 HG23 ILE A 83 74.004 -30.497 4.527 1.00 64.44 H new ATOM 0 HD11 ILE A 83 73.328 -32.699 1.836 1.00 53.51 H new ATOM 0 HD12 ILE A 83 72.819 -31.610 3.149 1.00 53.51 H new ATOM 0 HD13 ILE A 83 74.445 -31.453 2.442 1.00 53.51 H new ATOM 1231 N GLY A 84 77.425 -33.553 3.395 1.00 40.34 N ATOM 1232 CA GLY A 84 77.936 -33.978 2.104 1.00 11.24 C ATOM 1233 C GLY A 84 79.110 -33.139 1.641 1.00 1.22 C ATOM 1234 O GLY A 84 80.158 -33.673 1.278 1.00 11.30 O ATOM 0 H GLY A 84 77.694 -34.147 4.179 1.00 40.34 H new ATOM 0 HA2 GLY A 84 78.241 -35.023 2.163 1.00 11.24 H new ATOM 0 HA3 GLY A 84 77.138 -33.920 1.364 1.00 11.24 H new ATOM 1238 N GLU A 85 78.934 -31.820 1.652 1.00 62.54 N ATOM 1239 CA GLU A 85 79.988 -30.907 1.227 1.00 30.42 C ATOM 1240 C GLU A 85 80.357 -29.942 2.350 1.00 24.22 C ATOM 1241 O GLU A 85 81.376 -30.113 3.019 1.00 5.40 O ATOM 1242 CB GLU A 85 79.546 -30.123 -0.011 1.00 34.54 C ATOM 1243 CG GLU A 85 80.604 -29.166 -0.534 1.00 42.24 C ATOM 1244 CD GLU A 85 81.754 -29.883 -1.216 1.00 32.33 C ATOM 1245 OE1 GLU A 85 82.619 -30.431 -0.500 1.00 51.12 O ATOM 1246 OE2 GLU A 85 81.788 -29.897 -2.463 1.00 51.34 O ATOM 0 H GLU A 85 78.073 -31.362 1.950 1.00 62.54 H new ATOM 0 HA GLU A 85 80.868 -31.499 0.977 1.00 30.42 H new ATOM 0 HB2 GLU A 85 79.282 -30.826 -0.801 1.00 34.54 H new ATOM 0 HB3 GLU A 85 78.645 -29.559 0.229 1.00 34.54 H new ATOM 0 HG2 GLU A 85 80.145 -28.472 -1.238 1.00 42.24 H new ATOM 0 HG3 GLU A 85 80.991 -28.571 0.293 1.00 42.24 H new ATOM 1253 N GLU A 86 79.521 -28.927 2.548 1.00 73.22 N ATOM 1254 CA GLU A 86 79.759 -27.934 3.589 1.00 63.35 C ATOM 1255 C GLU A 86 78.446 -27.320 4.067 1.00 64.15 C ATOM 1256 O GLU A 86 77.423 -27.417 3.391 1.00 32.03 O ATOM 1257 CB GLU A 86 80.690 -26.835 3.072 1.00 62.44 C ATOM 1258 CG GLU A 86 82.092 -27.327 2.748 1.00 52.32 C ATOM 1259 CD GLU A 86 82.993 -26.222 2.233 1.00 41.24 C ATOM 1260 OE1 GLU A 86 82.471 -25.141 1.891 1.00 22.15 O ATOM 1261 OE2 GLU A 86 84.222 -26.440 2.171 1.00 13.42 O ATOM 0 H GLU A 86 78.674 -28.771 2.002 1.00 73.22 H new ATOM 0 HA GLU A 86 80.233 -28.436 4.432 1.00 63.35 H new ATOM 0 HB2 GLU A 86 80.254 -26.392 2.177 1.00 62.44 H new ATOM 0 HB3 GLU A 86 80.755 -26.044 3.819 1.00 62.44 H new ATOM 0 HG2 GLU A 86 82.535 -27.765 3.642 1.00 52.32 H new ATOM 0 HG3 GLU A 86 82.032 -28.119 2.002 1.00 52.32 H new ATOM 1268 N ASN A 87 78.485 -26.689 5.236 1.00 65.50 N ATOM 1269 CA ASN A 87 77.300 -26.060 5.805 1.00 70.30 C ATOM 1270 C ASN A 87 76.637 -25.132 4.792 1.00 13.20 C ATOM 1271 O ASN A 87 77.260 -24.195 4.292 1.00 22.44 O ATOM 1272 CB ASN A 87 77.668 -25.277 7.067 1.00 73.41 C ATOM 1273 CG ASN A 87 78.883 -24.393 6.865 1.00 21.40 C ATOM 1274 OD1 ASN A 87 80.068 -24.965 7.045 1.00 71.21 O flip ATOM 1275 ND2 ASN A 87 78.758 -23.209 6.550 1.00 53.22 N flip ATOM 0 H ASN A 87 79.325 -26.600 5.808 1.00 65.50 H new ATOM 0 HA ASN A 87 76.593 -26.847 6.068 1.00 70.30 H new ATOM 0 HB2 ASN A 87 76.821 -24.662 7.370 1.00 73.41 H new ATOM 0 HB3 ASN A 87 77.862 -25.975 7.881 1.00 73.41 H new ATOM 0 HD21 ASN A 87 77.828 -22.811 6.422 1.00 53.22 H new ATOM 0 HD22 ASN A 87 79.585 -22.627 6.417 1.00 53.22 H new ATOM 1282 N PHE A 88 75.370 -25.398 4.495 1.00 11.54 N ATOM 1283 CA PHE A 88 74.621 -24.586 3.542 1.00 70.55 C ATOM 1284 C PHE A 88 73.260 -24.197 4.109 1.00 52.20 C ATOM 1285 O PHE A 88 72.437 -25.058 4.421 1.00 50.33 O ATOM 1286 CB PHE A 88 74.440 -25.345 2.226 1.00 64.51 C ATOM 1287 CG PHE A 88 75.724 -25.886 1.663 1.00 3.53 C ATOM 1288 CD1 PHE A 88 76.885 -25.129 1.701 1.00 54.52 C ATOM 1289 CD2 PHE A 88 75.770 -27.149 1.097 1.00 32.42 C ATOM 1290 CE1 PHE A 88 78.067 -25.624 1.184 1.00 4.45 C ATOM 1291 CE2 PHE A 88 76.950 -27.649 0.579 1.00 61.43 C ATOM 1292 CZ PHE A 88 78.100 -26.885 0.623 1.00 60.22 C ATOM 0 H PHE A 88 74.840 -26.169 4.900 1.00 11.54 H new ATOM 0 HA PHE A 88 75.189 -23.675 3.354 1.00 70.55 H new ATOM 0 HB2 PHE A 88 73.746 -26.170 2.385 1.00 64.51 H new ATOM 0 HB3 PHE A 88 73.983 -24.681 1.493 1.00 64.51 H new ATOM 0 HD1 PHE A 88 76.865 -24.142 2.139 1.00 54.52 H new ATOM 0 HD2 PHE A 88 74.874 -27.750 1.060 1.00 32.42 H new ATOM 0 HE1 PHE A 88 78.965 -25.025 1.219 1.00 4.45 H new ATOM 0 HE2 PHE A 88 76.973 -28.636 0.140 1.00 61.43 H new ATOM 0 HZ PHE A 88 79.023 -27.273 0.219 1.00 60.22 H new ATOM 1302 N TRP A 89 73.031 -22.896 4.241 1.00 1.54 N ATOM 1303 CA TRP A 89 71.768 -22.392 4.771 1.00 21.34 C ATOM 1304 C TRP A 89 70.700 -22.346 3.684 1.00 24.31 C ATOM 1305 O TRP A 89 70.946 -21.861 2.580 1.00 40.13 O ATOM 1306 CB TRP A 89 71.964 -20.999 5.371 1.00 22.44 C ATOM 1307 CG TRP A 89 72.600 -20.028 4.423 1.00 65.22 C ATOM 1308 CD1 TRP A 89 73.932 -19.745 4.310 1.00 52.42 C ATOM 1309 CD2 TRP A 89 71.932 -19.210 3.457 1.00 51.32 C ATOM 1310 NE1 TRP A 89 74.131 -18.801 3.332 1.00 52.03 N ATOM 1311 CE2 TRP A 89 72.919 -18.457 2.792 1.00 71.31 C ATOM 1312 CE3 TRP A 89 70.594 -19.042 3.087 1.00 42.12 C ATOM 1313 CZ2 TRP A 89 72.611 -17.551 1.781 1.00 54.34 C ATOM 1314 CZ3 TRP A 89 70.289 -18.142 2.083 1.00 64.30 C ATOM 1315 CH2 TRP A 89 71.293 -17.407 1.439 1.00 33.42 C ATOM 0 H TRP A 89 73.702 -22.171 3.989 1.00 1.54 H new ATOM 0 HA TRP A 89 71.433 -23.073 5.553 1.00 21.34 H new ATOM 0 HB2 TRP A 89 70.997 -20.608 5.686 1.00 22.44 H new ATOM 0 HB3 TRP A 89 72.582 -21.080 6.265 1.00 22.44 H new ATOM 0 HD1 TRP A 89 74.714 -20.197 4.903 1.00 52.42 H new ATOM 0 HE1 TRP A 89 75.034 -18.418 3.053 1.00 52.03 H new ATOM 0 HE3 TRP A 89 69.813 -19.605 3.577 1.00 42.12 H new ATOM 0 HZ2 TRP A 89 73.383 -16.982 1.285 1.00 54.34 H new ATOM 0 HZ3 TRP A 89 69.259 -18.003 1.790 1.00 64.30 H new ATOM 0 HH2 TRP A 89 71.022 -16.713 0.657 1.00 33.42 H new ATOM 1326 N VAL A 90 69.514 -22.853 4.004 1.00 22.32 N ATOM 1327 CA VAL A 90 68.408 -22.868 3.055 1.00 50.12 C ATOM 1328 C VAL A 90 67.496 -21.663 3.254 1.00 3.33 C ATOM 1329 O VAL A 90 67.203 -21.274 4.384 1.00 10.25 O ATOM 1330 CB VAL A 90 67.574 -24.156 3.185 1.00 75.31 C ATOM 1331 CG1 VAL A 90 67.136 -24.365 4.626 1.00 32.13 C ATOM 1332 CG2 VAL A 90 66.371 -24.108 2.255 1.00 20.14 C ATOM 0 H VAL A 90 69.295 -23.259 4.914 1.00 22.32 H new ATOM 0 HA VAL A 90 68.847 -22.827 2.058 1.00 50.12 H new ATOM 0 HB VAL A 90 68.196 -25.002 2.893 1.00 75.31 H new ATOM 0 HG11 VAL A 90 66.548 -25.280 4.698 1.00 32.13 H new ATOM 0 HG12 VAL A 90 68.015 -24.447 5.265 1.00 32.13 H new ATOM 0 HG13 VAL A 90 66.531 -23.518 4.949 1.00 32.13 H new ATOM 0 HG21 VAL A 90 65.793 -25.026 2.360 1.00 20.14 H new ATOM 0 HG22 VAL A 90 65.745 -23.254 2.513 1.00 20.14 H new ATOM 0 HG23 VAL A 90 66.712 -24.010 1.224 1.00 20.14 H new ATOM 1342 N ASP A 91 67.050 -21.076 2.149 1.00 22.21 N ATOM 1343 CA ASP A 91 66.170 -19.915 2.202 1.00 41.34 C ATOM 1344 C ASP A 91 64.886 -20.240 2.960 1.00 63.44 C ATOM 1345 O ASP A 91 64.699 -19.806 4.096 1.00 12.23 O ATOM 1346 CB ASP A 91 65.834 -19.439 0.787 1.00 1.04 C ATOM 1347 CG ASP A 91 65.741 -17.928 0.693 1.00 11.40 C ATOM 1348 OD1 ASP A 91 66.658 -17.244 1.191 1.00 31.15 O ATOM 1349 OD2 ASP A 91 64.750 -17.430 0.119 1.00 13.11 O ATOM 0 H ASP A 91 67.284 -21.385 1.206 1.00 22.21 H new ATOM 0 HA ASP A 91 66.692 -19.118 2.732 1.00 41.34 H new ATOM 0 HB2 ASP A 91 66.596 -19.797 0.095 1.00 1.04 H new ATOM 0 HB3 ASP A 91 64.887 -19.879 0.474 1.00 1.04 H new ATOM 1354 N ARG A 92 64.006 -21.005 2.323 1.00 73.21 N ATOM 1355 CA ARG A 92 62.740 -21.386 2.936 1.00 32.53 C ATOM 1356 C ARG A 92 62.031 -22.451 2.104 1.00 72.43 C ATOM 1357 O ARG A 92 61.732 -22.238 0.929 1.00 1.13 O ATOM 1358 CB ARG A 92 61.836 -20.162 3.095 1.00 63.31 C ATOM 1359 CG ARG A 92 60.778 -20.322 4.174 1.00 5.13 C ATOM 1360 CD ARG A 92 60.396 -18.981 4.781 1.00 0.31 C ATOM 1361 NE ARG A 92 59.007 -18.961 5.234 1.00 53.14 N ATOM 1362 CZ ARG A 92 58.524 -18.065 6.087 1.00 64.02 C ATOM 1363 NH1 ARG A 92 59.314 -17.120 6.577 1.00 3.43 N ATOM 1364 NH2 ARG A 92 57.249 -18.113 6.451 1.00 63.03 N ATOM 0 H ARG A 92 64.147 -21.373 1.382 1.00 73.21 H new ATOM 0 HA ARG A 92 62.953 -21.802 3.921 1.00 32.53 H new ATOM 0 HB2 ARG A 92 62.452 -19.294 3.328 1.00 63.31 H new ATOM 0 HB3 ARG A 92 61.345 -19.958 2.144 1.00 63.31 H new ATOM 0 HG2 ARG A 92 59.893 -20.796 3.750 1.00 5.13 H new ATOM 0 HG3 ARG A 92 61.151 -20.984 4.956 1.00 5.13 H new ATOM 0 HD2 ARG A 92 61.055 -18.763 5.622 1.00 0.31 H new ATOM 0 HD3 ARG A 92 60.548 -18.193 4.044 1.00 0.31 H new ATOM 0 HE ARG A 92 58.373 -19.675 4.875 1.00 53.14 H new ATOM 0 HH11 ARG A 92 60.295 -17.080 6.299 1.00 3.43 H new ATOM 0 HH12 ARG A 92 58.941 -16.433 7.232 1.00 3.43 H new ATOM 0 HH21 ARG A 92 56.638 -18.839 6.076 1.00 63.03 H new ATOM 0 HH22 ARG A 92 56.879 -17.424 7.106 1.00 63.03 H new ATOM 1378 N VAL A 93 61.766 -23.598 2.721 1.00 11.54 N ATOM 1379 CA VAL A 93 61.091 -24.695 2.038 1.00 72.41 C ATOM 1380 C VAL A 93 59.638 -24.812 2.486 1.00 44.43 C ATOM 1381 O VAL A 93 59.329 -24.673 3.669 1.00 60.23 O ATOM 1382 CB VAL A 93 61.805 -26.037 2.293 1.00 15.20 C ATOM 1383 CG1 VAL A 93 63.312 -25.869 2.190 1.00 43.20 C ATOM 1384 CG2 VAL A 93 61.413 -26.598 3.652 1.00 23.41 C ATOM 0 H VAL A 93 62.008 -23.792 3.693 1.00 11.54 H new ATOM 0 HA VAL A 93 61.122 -24.471 0.972 1.00 72.41 H new ATOM 0 HB VAL A 93 61.491 -26.747 1.528 1.00 15.20 H new ATOM 0 HG11 VAL A 93 63.798 -26.827 2.373 1.00 43.20 H new ATOM 0 HG12 VAL A 93 63.571 -25.515 1.192 1.00 43.20 H new ATOM 0 HG13 VAL A 93 63.649 -25.144 2.931 1.00 43.20 H new ATOM 0 HG21 VAL A 93 61.926 -27.546 3.816 1.00 23.41 H new ATOM 0 HG22 VAL A 93 61.696 -25.892 4.433 1.00 23.41 H new ATOM 0 HG23 VAL A 93 60.335 -26.759 3.682 1.00 23.41 H new ATOM 1394 N SER A 94 58.749 -25.068 1.531 1.00 63.52 N ATOM 1395 CA SER A 94 57.327 -25.199 1.825 1.00 30.50 C ATOM 1396 C SER A 94 56.761 -26.475 1.209 1.00 3.41 C ATOM 1397 O SER A 94 56.400 -26.518 0.032 1.00 61.34 O ATOM 1398 CB SER A 94 56.563 -23.983 1.303 1.00 12.52 C ATOM 1399 OG SER A 94 55.233 -23.966 1.795 1.00 61.30 O ATOM 0 H SER A 94 58.989 -25.189 0.547 1.00 63.52 H new ATOM 0 HA SER A 94 57.208 -25.255 2.907 1.00 30.50 H new ATOM 0 HB2 SER A 94 57.077 -23.070 1.604 1.00 12.52 H new ATOM 0 HB3 SER A 94 56.551 -23.998 0.213 1.00 12.52 H new ATOM 0 HG SER A 94 54.766 -23.178 1.448 1.00 61.30 H new ATOM 1405 N PRO A 95 56.680 -27.539 2.021 1.00 32.11 N ATOM 1406 CA PRO A 95 56.158 -28.835 1.577 1.00 33.04 C ATOM 1407 C PRO A 95 54.656 -28.796 1.317 1.00 51.52 C ATOM 1408 O PRO A 95 54.054 -27.724 1.256 1.00 23.24 O ATOM 1409 CB PRO A 95 56.472 -29.764 2.753 1.00 62.15 C ATOM 1410 CG PRO A 95 56.545 -28.866 3.938 1.00 15.22 C ATOM 1411 CD PRO A 95 57.091 -27.558 3.435 1.00 72.03 C ATOM 0 HA PRO A 95 56.602 -29.152 0.634 1.00 33.04 H new ATOM 0 HB2 PRO A 95 55.697 -30.521 2.877 1.00 62.15 H new ATOM 0 HB3 PRO A 95 57.412 -30.293 2.599 1.00 62.15 H new ATOM 0 HG2 PRO A 95 55.561 -28.731 4.386 1.00 15.22 H new ATOM 0 HG3 PRO A 95 57.191 -29.288 4.708 1.00 15.22 H new ATOM 0 HD2 PRO A 95 56.679 -26.712 3.985 1.00 72.03 H new ATOM 0 HD3 PRO A 95 58.175 -27.508 3.539 1.00 72.03 H new ATOM 1419 N ASP A 96 54.056 -29.971 1.165 1.00 70.01 N ATOM 1420 CA ASP A 96 52.623 -30.072 0.912 1.00 4.32 C ATOM 1421 C ASP A 96 51.995 -31.164 1.772 1.00 64.23 C ATOM 1422 O ASP A 96 50.815 -31.482 1.625 1.00 12.23 O ATOM 1423 CB ASP A 96 52.363 -30.358 -0.568 1.00 2.05 C ATOM 1424 CG ASP A 96 51.047 -29.778 -1.046 1.00 45.23 C ATOM 1425 OD1 ASP A 96 50.693 -28.665 -0.603 1.00 61.11 O ATOM 1426 OD2 ASP A 96 50.370 -30.436 -1.864 1.00 42.05 O ATOM 0 H ASP A 96 54.540 -30.868 1.213 1.00 70.01 H new ATOM 0 HA ASP A 96 52.165 -29.119 1.175 1.00 4.32 H new ATOM 0 HB2 ASP A 96 53.177 -29.944 -1.164 1.00 2.05 H new ATOM 0 HB3 ASP A 96 52.363 -31.436 -0.733 1.00 2.05 H new ATOM 1431 N ASP A 97 52.792 -31.737 2.668 1.00 50.45 N ATOM 1432 CA ASP A 97 52.314 -32.795 3.551 1.00 23.24 C ATOM 1433 C ASP A 97 53.214 -32.926 4.776 1.00 1.23 C ATOM 1434 O ASP A 97 54.326 -33.445 4.690 1.00 74.40 O ATOM 1435 CB ASP A 97 52.254 -34.126 2.802 1.00 64.31 C ATOM 1436 CG ASP A 97 51.268 -35.096 3.423 1.00 65.33 C ATOM 1437 OD1 ASP A 97 50.060 -34.781 3.446 1.00 65.35 O ATOM 1438 OD2 ASP A 97 51.705 -36.171 3.884 1.00 35.04 O ATOM 0 H ASP A 97 53.772 -31.487 2.802 1.00 50.45 H new ATOM 0 HA ASP A 97 51.311 -32.531 3.885 1.00 23.24 H new ATOM 0 HB2 ASP A 97 51.975 -33.943 1.764 1.00 64.31 H new ATOM 0 HB3 ASP A 97 53.246 -34.578 2.790 1.00 64.31 H new ATOM 1443 N GLY A 98 52.725 -32.450 5.917 1.00 14.20 N ATOM 1444 CA GLY A 98 53.497 -32.523 7.143 1.00 35.24 C ATOM 1445 C GLY A 98 54.777 -31.714 7.072 1.00 53.34 C ATOM 1446 O GLY A 98 54.792 -30.533 7.417 1.00 70.14 O ATOM 0 H GLY A 98 51.808 -32.015 6.014 1.00 14.20 H new ATOM 0 HA2 GLY A 98 52.889 -32.163 7.973 1.00 35.24 H new ATOM 0 HA3 GLY A 98 53.740 -33.564 7.354 1.00 35.24 H new ATOM 1450 N GLY A 99 55.854 -32.351 6.624 1.00 43.15 N ATOM 1451 CA GLY A 99 57.129 -31.668 6.518 1.00 23.43 C ATOM 1452 C GLY A 99 58.114 -32.411 5.637 1.00 21.22 C ATOM 1453 O GLY A 99 58.903 -33.221 6.123 1.00 44.24 O ATOM 0 H GLY A 99 55.866 -33.328 6.332 1.00 43.15 H new ATOM 0 HA2 GLY A 99 56.969 -30.668 6.116 1.00 23.43 H new ATOM 0 HA3 GLY A 99 57.556 -31.547 7.513 1.00 23.43 H new ATOM 1457 N SER A 100 58.067 -32.135 4.337 1.00 72.44 N ATOM 1458 CA SER A 100 58.959 -32.789 3.386 1.00 64.11 C ATOM 1459 C SER A 100 59.156 -31.923 2.145 1.00 71.35 C ATOM 1460 O SER A 100 58.542 -32.163 1.104 1.00 60.02 O ATOM 1461 CB SER A 100 58.400 -34.155 2.985 1.00 54.03 C ATOM 1462 OG SER A 100 59.362 -34.910 2.269 1.00 42.43 O ATOM 0 H SER A 100 57.422 -31.464 3.919 1.00 72.44 H new ATOM 0 HA SER A 100 59.926 -32.929 3.869 1.00 64.11 H new ATOM 0 HB2 SER A 100 58.094 -34.702 3.877 1.00 54.03 H new ATOM 0 HB3 SER A 100 57.509 -34.021 2.372 1.00 54.03 H new ATOM 0 HG SER A 100 58.980 -35.779 2.025 1.00 42.43 H new ATOM 1468 N CYS A 101 60.016 -30.919 2.262 1.00 11.32 N ATOM 1469 CA CYS A 101 60.294 -30.016 1.150 1.00 25.14 C ATOM 1470 C CYS A 101 61.797 -29.829 0.965 1.00 54.40 C ATOM 1471 O CYS A 101 62.601 -30.502 1.611 1.00 45.31 O ATOM 1472 CB CYS A 101 59.626 -28.661 1.387 1.00 52.54 C ATOM 1473 SG CYS A 101 59.145 -27.801 -0.130 1.00 14.11 S ATOM 0 H CYS A 101 60.534 -30.709 3.115 1.00 11.32 H new ATOM 0 HA CYS A 101 59.886 -30.461 0.242 1.00 25.14 H new ATOM 0 HB2 CYS A 101 58.741 -28.807 2.006 1.00 52.54 H new ATOM 0 HB3 CYS A 101 60.308 -28.025 1.952 1.00 52.54 H new ATOM 0 HG CYS A 101 59.907 -26.762 -0.300 1.00 14.11 H new ATOM 1479 N HIS A 102 62.169 -28.913 0.077 1.00 1.13 N ATOM 1480 CA HIS A 102 63.575 -28.638 -0.195 1.00 73.12 C ATOM 1481 C HIS A 102 63.729 -27.384 -1.049 1.00 43.24 C ATOM 1482 O HIS A 102 62.964 -27.162 -1.990 1.00 72.53 O ATOM 1483 CB HIS A 102 64.223 -29.831 -0.898 1.00 63.15 C ATOM 1484 CG HIS A 102 63.772 -30.007 -2.316 1.00 54.11 C ATOM 1485 ND1 HIS A 102 64.469 -30.309 -3.436 1.00 53.22 N flip ATOM 1486 CD2 HIS A 102 62.458 -29.870 -2.710 1.00 52.15 C flip ATOM 1487 CE1 HIS A 102 63.573 -30.351 -4.476 1.00 54.10 C flip ATOM 1488 NE2 HIS A 102 62.366 -30.083 -4.011 1.00 14.23 N flip ATOM 0 H HIS A 102 61.516 -28.348 -0.467 1.00 1.13 H new ATOM 0 HA HIS A 102 64.077 -28.470 0.758 1.00 73.12 H new ATOM 0 HB2 HIS A 102 65.306 -29.707 -0.882 1.00 63.15 H new ATOM 0 HB3 HIS A 102 63.998 -30.739 -0.338 1.00 63.15 H new ATOM 0 HD2 HIS A 102 61.633 -29.627 -2.057 1.00 52.15 H new ATOM 0 HE1 HIS A 102 63.816 -30.568 -5.506 1.00 54.10 H new ATOM 0 HE2 HIS A 102 61.509 -30.047 -4.562 1.00 14.23 H new ATOM 1496 N LEU A 103 64.720 -26.565 -0.717 1.00 61.10 N ATOM 1497 CA LEU A 103 64.974 -25.331 -1.453 1.00 41.13 C ATOM 1498 C LEU A 103 66.471 -25.110 -1.647 1.00 54.54 C ATOM 1499 O LEU A 103 67.287 -25.617 -0.877 1.00 51.43 O ATOM 1500 CB LEU A 103 64.361 -24.139 -0.716 1.00 22.13 C ATOM 1501 CG LEU A 103 64.671 -22.759 -1.298 1.00 13.43 C ATOM 1502 CD1 LEU A 103 63.468 -21.840 -1.159 1.00 45.45 C ATOM 1503 CD2 LEU A 103 65.888 -22.153 -0.616 1.00 23.51 C ATOM 0 H LEU A 103 65.362 -26.733 0.058 1.00 61.10 H new ATOM 0 HA LEU A 103 64.509 -25.421 -2.435 1.00 41.13 H new ATOM 0 HB2 LEU A 103 63.279 -24.268 -0.695 1.00 22.13 H new ATOM 0 HB3 LEU A 103 64.705 -24.161 0.318 1.00 22.13 H new ATOM 0 HG LEU A 103 64.894 -22.875 -2.359 1.00 13.43 H new ATOM 0 HD11 LEU A 103 63.706 -20.863 -1.578 1.00 45.45 H new ATOM 0 HD12 LEU A 103 62.620 -22.267 -1.694 1.00 45.45 H new ATOM 0 HD13 LEU A 103 63.214 -21.730 -0.105 1.00 45.45 H new ATOM 0 HD21 LEU A 103 66.093 -21.171 -1.043 1.00 23.51 H new ATOM 0 HD22 LEU A 103 65.693 -22.051 0.452 1.00 23.51 H new ATOM 0 HD23 LEU A 103 66.751 -22.802 -0.767 1.00 23.51 H new ATOM 1515 N TRP A 104 66.822 -24.349 -2.676 1.00 65.12 N ATOM 1516 CA TRP A 104 68.222 -24.059 -2.970 1.00 13.14 C ATOM 1517 C TRP A 104 68.858 -23.253 -1.843 1.00 53.11 C ATOM 1518 O TRP A 104 68.534 -22.082 -1.645 1.00 13.43 O ATOM 1519 CB TRP A 104 68.339 -23.296 -4.289 1.00 4.23 C ATOM 1520 CG TRP A 104 67.566 -22.012 -4.304 1.00 11.52 C ATOM 1521 CD1 TRP A 104 66.227 -21.865 -4.528 1.00 51.11 C ATOM 1522 CD2 TRP A 104 68.086 -20.695 -4.088 1.00 12.51 C ATOM 1523 NE1 TRP A 104 65.882 -20.536 -4.464 1.00 4.12 N ATOM 1524 CE2 TRP A 104 67.004 -19.798 -4.194 1.00 4.11 C ATOM 1525 CE3 TRP A 104 69.358 -20.187 -3.812 1.00 52.42 C ATOM 1526 CZ2 TRP A 104 67.160 -18.424 -4.036 1.00 42.41 C ATOM 1527 CZ3 TRP A 104 69.511 -18.823 -3.657 1.00 14.45 C ATOM 1528 CH2 TRP A 104 68.417 -17.953 -3.767 1.00 51.35 C ATOM 0 H TRP A 104 66.158 -23.921 -3.321 1.00 65.12 H new ATOM 0 HA TRP A 104 68.754 -25.006 -3.059 1.00 13.14 H new ATOM 0 HB2 TRP A 104 69.390 -23.081 -4.484 1.00 4.23 H new ATOM 0 HB3 TRP A 104 67.988 -23.933 -5.101 1.00 4.23 H new ATOM 0 HD1 TRP A 104 65.540 -22.674 -4.726 1.00 51.11 H new ATOM 0 HE1 TRP A 104 64.943 -20.160 -4.596 1.00 4.12 H new ATOM 0 HE3 TRP A 104 70.206 -20.849 -3.721 1.00 52.42 H new ATOM 0 HZ2 TRP A 104 66.319 -17.753 -4.123 1.00 42.41 H new ATOM 0 HZ3 TRP A 104 70.491 -18.420 -3.447 1.00 14.45 H new ATOM 0 HH2 TRP A 104 68.569 -16.892 -3.637 1.00 51.35 H new ATOM 1539 N LEU A 105 69.764 -23.887 -1.107 1.00 32.12 N ATOM 1540 CA LEU A 105 70.447 -23.228 0.001 1.00 31.42 C ATOM 1541 C LEU A 105 71.743 -22.575 -0.468 1.00 65.24 C ATOM 1542 O LEU A 105 72.255 -22.890 -1.542 1.00 53.14 O ATOM 1543 CB LEU A 105 70.744 -24.234 1.114 1.00 13.44 C ATOM 1544 CG LEU A 105 71.072 -25.658 0.663 1.00 12.20 C ATOM 1545 CD1 LEU A 105 72.265 -25.657 -0.280 1.00 51.51 C ATOM 1546 CD2 LEU A 105 71.341 -26.550 1.866 1.00 41.44 C ATOM 0 H LEU A 105 70.043 -24.857 -1.257 1.00 32.12 H new ATOM 0 HA LEU A 105 69.789 -22.450 0.388 1.00 31.42 H new ATOM 0 HB2 LEU A 105 71.582 -23.858 1.701 1.00 13.44 H new ATOM 0 HB3 LEU A 105 69.881 -24.275 1.779 1.00 13.44 H new ATOM 0 HG LEU A 105 70.211 -26.056 0.126 1.00 12.20 H new ATOM 0 HD11 LEU A 105 72.484 -26.679 -0.591 1.00 51.51 H new ATOM 0 HD12 LEU A 105 72.035 -25.052 -1.157 1.00 51.51 H new ATOM 0 HD13 LEU A 105 73.132 -25.239 0.231 1.00 51.51 H new ATOM 0 HD21 LEU A 105 71.573 -27.559 1.526 1.00 41.44 H new ATOM 0 HD22 LEU A 105 72.185 -26.155 2.431 1.00 41.44 H new ATOM 0 HD23 LEU A 105 70.458 -26.576 2.504 1.00 41.44 H new ATOM 1558 N GLY A 106 72.270 -21.665 0.345 1.00 74.42 N ATOM 1559 CA GLY A 106 73.504 -20.984 -0.004 1.00 70.10 C ATOM 1560 C GLY A 106 74.733 -21.726 0.484 1.00 3.00 C ATOM 1561 O GLY A 106 74.655 -22.525 1.417 1.00 11.13 O ATOM 0 H GLY A 106 71.865 -21.387 1.239 1.00 74.42 H new ATOM 0 HA2 GLY A 106 73.559 -20.869 -1.087 1.00 70.10 H new ATOM 0 HA3 GLY A 106 73.495 -19.981 0.423 1.00 70.10 H new ATOM 1565 N ARG A 107 75.871 -21.462 -0.150 1.00 75.03 N ATOM 1566 CA ARG A 107 77.121 -22.112 0.222 1.00 72.53 C ATOM 1567 C ARG A 107 77.610 -21.615 1.580 1.00 12.41 C ATOM 1568 O ARG A 107 77.250 -20.522 2.018 1.00 72.42 O ATOM 1569 CB ARG A 107 78.191 -21.857 -0.841 1.00 51.01 C ATOM 1570 CG ARG A 107 79.490 -22.603 -0.590 1.00 73.51 C ATOM 1571 CD ARG A 107 80.440 -22.484 -1.772 1.00 12.32 C ATOM 1572 NE ARG A 107 80.689 -21.090 -2.134 1.00 72.34 N ATOM 1573 CZ ARG A 107 81.527 -20.299 -1.474 1.00 43.53 C ATOM 1574 NH1 ARG A 107 82.193 -20.760 -0.425 1.00 11.41 N ATOM 1575 NH2 ARG A 107 81.701 -19.043 -1.865 1.00 41.24 N ATOM 0 H ARG A 107 75.953 -20.802 -0.924 1.00 75.03 H new ATOM 0 HA ARG A 107 76.936 -23.184 0.291 1.00 72.53 H new ATOM 0 HB2 ARG A 107 77.799 -22.146 -1.816 1.00 51.01 H new ATOM 0 HB3 ARG A 107 78.399 -20.788 -0.886 1.00 51.01 H new ATOM 0 HG2 ARG A 107 79.970 -22.208 0.305 1.00 73.51 H new ATOM 0 HG3 ARG A 107 79.276 -23.654 -0.399 1.00 73.51 H new ATOM 0 HD2 ARG A 107 81.385 -22.970 -1.529 1.00 12.32 H new ATOM 0 HD3 ARG A 107 80.021 -23.012 -2.629 1.00 12.32 H new ATOM 0 HE ARG A 107 80.192 -20.704 -2.937 1.00 72.34 H new ATOM 0 HH11 ARG A 107 82.063 -21.725 -0.122 1.00 11.41 H new ATOM 0 HH12 ARG A 107 82.836 -20.150 0.079 1.00 11.41 H new ATOM 0 HH21 ARG A 107 81.191 -18.685 -2.673 1.00 41.24 H new ATOM 0 HH22 ARG A 107 82.345 -18.436 -1.358 1.00 41.24 H new ATOM 1589 N GLY A 108 78.431 -22.425 2.241 1.00 11.43 N ATOM 1590 CA GLY A 108 78.955 -22.050 3.541 1.00 14.44 C ATOM 1591 C GLY A 108 80.054 -22.980 4.015 1.00 43.23 C ATOM 1592 O GLY A 108 79.793 -24.128 4.377 1.00 1.53 O ATOM 0 H GLY A 108 78.743 -23.334 1.899 1.00 11.43 H new ATOM 0 HA2 GLY A 108 79.341 -21.032 3.493 1.00 14.44 H new ATOM 0 HA3 GLY A 108 78.144 -22.050 4.270 1.00 14.44 H new ATOM 1596 N VAL A 109 81.288 -22.486 4.010 1.00 61.43 N ATOM 1597 CA VAL A 109 82.431 -23.282 4.441 1.00 72.15 C ATOM 1598 C VAL A 109 82.684 -23.116 5.936 1.00 51.05 C ATOM 1599 O VAL A 109 82.681 -22.007 6.471 1.00 33.31 O ATOM 1600 CB VAL A 109 83.707 -22.896 3.670 1.00 5.43 C ATOM 1601 CG1 VAL A 109 84.013 -21.417 3.852 1.00 4.15 C ATOM 1602 CG2 VAL A 109 84.881 -23.751 4.120 1.00 64.00 C ATOM 0 H VAL A 109 81.522 -21.539 3.712 1.00 61.43 H new ATOM 0 HA VAL A 109 82.189 -24.324 4.229 1.00 72.15 H new ATOM 0 HB VAL A 109 83.539 -23.080 2.609 1.00 5.43 H new ATOM 0 HG11 VAL A 109 84.918 -21.162 3.300 1.00 4.15 H new ATOM 0 HG12 VAL A 109 83.179 -20.824 3.476 1.00 4.15 H new ATOM 0 HG13 VAL A 109 84.161 -21.204 4.911 1.00 4.15 H new ATOM 0 HG21 VAL A 109 85.774 -23.464 3.565 1.00 64.00 H new ATOM 0 HG22 VAL A 109 85.053 -23.601 5.186 1.00 64.00 H new ATOM 0 HG23 VAL A 109 84.659 -24.802 3.933 1.00 64.00 H new ATOM 1612 N PRO A 110 82.908 -24.243 6.627 1.00 72.54 N ATOM 1613 CA PRO A 110 83.167 -24.250 8.069 1.00 23.24 C ATOM 1614 C PRO A 110 84.526 -23.651 8.416 1.00 63.32 C ATOM 1615 O PRO A 110 85.361 -23.397 7.546 1.00 52.42 O ATOM 1616 CB PRO A 110 83.131 -25.737 8.430 1.00 44.21 C ATOM 1617 CG PRO A 110 83.483 -26.442 7.166 1.00 52.51 C ATOM 1618 CD PRO A 110 82.925 -25.600 6.052 1.00 3.02 C ATOM 0 HA PRO A 110 82.442 -23.647 8.616 1.00 23.24 H new ATOM 0 HB2 PRO A 110 83.841 -25.969 9.224 1.00 44.21 H new ATOM 0 HB3 PRO A 110 82.145 -26.034 8.788 1.00 44.21 H new ATOM 0 HG2 PRO A 110 84.563 -26.552 7.068 1.00 52.51 H new ATOM 0 HG3 PRO A 110 83.057 -27.445 7.147 1.00 52.51 H new ATOM 0 HD2 PRO A 110 83.548 -25.651 5.159 1.00 3.02 H new ATOM 0 HD3 PRO A 110 81.926 -25.927 5.763 1.00 3.02 H new ATOM 1626 N PRO A 111 84.758 -23.419 9.717 1.00 61.44 N ATOM 1627 CA PRO A 111 86.015 -22.849 10.208 1.00 23.14 C ATOM 1628 C PRO A 111 87.184 -23.819 10.072 1.00 4.14 C ATOM 1629 O PRO A 111 88.339 -23.447 10.282 1.00 34.40 O ATOM 1630 CB PRO A 111 85.724 -22.566 11.684 1.00 73.42 C ATOM 1631 CG PRO A 111 84.644 -23.526 12.047 1.00 0.52 C ATOM 1632 CD PRO A 111 83.810 -23.698 10.808 1.00 51.11 C ATOM 0 HA PRO A 111 86.311 -21.966 9.641 1.00 23.14 H new ATOM 0 HB2 PRO A 111 86.611 -22.717 12.299 1.00 73.42 H new ATOM 0 HB3 PRO A 111 85.404 -21.535 11.834 1.00 73.42 H new ATOM 0 HG2 PRO A 111 85.062 -24.479 12.372 1.00 0.52 H new ATOM 0 HG3 PRO A 111 84.043 -23.144 12.872 1.00 0.52 H new ATOM 0 HD2 PRO A 111 83.400 -24.705 10.736 1.00 51.11 H new ATOM 0 HD3 PRO A 111 82.966 -23.009 10.793 1.00 51.11 H new ATOM 1640 N ALA A 112 86.877 -25.062 9.718 1.00 72.43 N ATOM 1641 CA ALA A 112 87.903 -26.085 9.551 1.00 41.40 C ATOM 1642 C ALA A 112 88.200 -26.330 8.075 1.00 14.24 C ATOM 1643 O ALA A 112 87.438 -27.003 7.382 1.00 55.31 O ATOM 1644 CB ALA A 112 87.474 -27.378 10.227 1.00 52.13 C ATOM 0 H ALA A 112 85.926 -25.386 9.541 1.00 72.43 H new ATOM 0 HA ALA A 112 88.818 -25.727 10.024 1.00 41.40 H new ATOM 0 HB1 ALA A 112 88.249 -28.133 10.094 1.00 52.13 H new ATOM 0 HB2 ALA A 112 87.321 -27.199 11.291 1.00 52.13 H new ATOM 0 HB3 ALA A 112 86.544 -27.731 9.781 1.00 52.13 H new ATOM 1650 N VAL A 113 89.311 -25.777 7.601 1.00 41.03 N ATOM 1651 CA VAL A 113 89.709 -25.936 6.206 1.00 13.11 C ATOM 1652 C VAL A 113 91.165 -26.374 6.097 1.00 54.44 C ATOM 1653 O VAL A 113 92.023 -25.902 6.840 1.00 24.10 O ATOM 1654 CB VAL A 113 89.517 -24.629 5.416 1.00 41.42 C ATOM 1655 CG1 VAL A 113 88.047 -24.237 5.380 1.00 62.42 C ATOM 1656 CG2 VAL A 113 90.359 -23.515 6.017 1.00 1.53 C ATOM 0 H VAL A 113 89.952 -25.215 8.161 1.00 41.03 H new ATOM 0 HA VAL A 113 89.068 -26.707 5.779 1.00 13.11 H new ATOM 0 HB VAL A 113 89.850 -24.793 4.391 1.00 41.42 H new ATOM 0 HG11 VAL A 113 87.931 -23.311 4.817 1.00 62.42 H new ATOM 0 HG12 VAL A 113 87.471 -25.028 4.899 1.00 62.42 H new ATOM 0 HG13 VAL A 113 87.684 -24.091 6.397 1.00 62.42 H new ATOM 0 HG21 VAL A 113 90.211 -22.598 5.446 1.00 1.53 H new ATOM 0 HG22 VAL A 113 90.059 -23.350 7.052 1.00 1.53 H new ATOM 0 HG23 VAL A 113 91.412 -23.797 5.985 1.00 1.53 H new ATOM 1666 N ASN A 114 91.436 -27.281 5.163 1.00 72.02 N ATOM 1667 CA ASN A 114 92.789 -27.784 4.955 1.00 0.32 C ATOM 1668 C ASN A 114 93.447 -27.096 3.763 1.00 61.52 C ATOM 1669 O ASN A 114 93.029 -27.278 2.620 1.00 53.33 O ATOM 1670 CB ASN A 114 92.765 -29.298 4.736 1.00 43.50 C ATOM 1671 CG ASN A 114 94.044 -29.811 4.104 1.00 62.11 C ATOM 1672 OD1 ASN A 114 94.139 -29.935 2.882 1.00 30.11 O ATOM 1673 ND2 ASN A 114 95.035 -30.111 4.935 1.00 52.20 N ATOM 0 H ASN A 114 90.736 -27.682 4.539 1.00 72.02 H new ATOM 0 HA ASN A 114 93.374 -27.563 5.848 1.00 0.32 H new ATOM 0 HB2 ASN A 114 92.609 -29.798 5.692 1.00 43.50 H new ATOM 0 HB3 ASN A 114 91.919 -29.557 4.099 1.00 43.50 H new ATOM 0 HD21 ASN A 114 95.920 -30.460 4.568 1.00 52.20 H new ATOM 0 HD22 ASN A 114 94.911 -29.992 5.940 1.00 52.20 H new ATOM 1680 N ARG A 115 94.480 -26.307 4.039 1.00 11.54 N ATOM 1681 CA ARG A 115 95.197 -25.591 2.989 1.00 15.02 C ATOM 1682 C ARG A 115 96.620 -26.122 2.844 1.00 14.11 C ATOM 1683 O ARG A 115 97.234 -26.556 3.819 1.00 12.14 O ATOM 1684 CB ARG A 115 95.228 -24.092 3.295 1.00 55.24 C ATOM 1685 CG ARG A 115 94.025 -23.336 2.756 1.00 11.21 C ATOM 1686 CD ARG A 115 94.344 -21.865 2.537 1.00 64.13 C ATOM 1687 NE ARG A 115 94.819 -21.220 3.758 1.00 65.34 N ATOM 1688 CZ ARG A 115 94.796 -19.907 3.953 1.00 14.51 C ATOM 1689 NH1 ARG A 115 94.321 -19.102 3.012 1.00 64.14 N ATOM 1690 NH2 ARG A 115 95.245 -19.396 5.091 1.00 5.13 N ATOM 0 H ARG A 115 94.840 -26.147 4.980 1.00 11.54 H new ATOM 0 HA ARG A 115 94.670 -25.752 2.048 1.00 15.02 H new ATOM 0 HB2 ARG A 115 95.281 -23.951 4.375 1.00 55.24 H new ATOM 0 HB3 ARG A 115 96.136 -23.662 2.872 1.00 55.24 H new ATOM 0 HG2 ARG A 115 93.704 -23.784 1.816 1.00 11.21 H new ATOM 0 HG3 ARG A 115 93.193 -23.429 3.454 1.00 11.21 H new ATOM 0 HD2 ARG A 115 95.101 -21.770 1.759 1.00 64.13 H new ATOM 0 HD3 ARG A 115 93.453 -21.350 2.178 1.00 64.13 H new ATOM 0 HE ARG A 115 95.189 -21.811 4.502 1.00 65.34 H new ATOM 0 HH11 ARG A 115 93.972 -19.491 2.136 1.00 64.14 H new ATOM 0 HH12 ARG A 115 94.304 -18.094 3.164 1.00 64.14 H new ATOM 0 HH21 ARG A 115 95.609 -20.012 5.818 1.00 5.13 H new ATOM 0 HH22 ARG A 115 95.227 -18.387 5.239 1.00 5.13 H new ATOM 1704 N ARG A 116 97.138 -26.084 1.622 1.00 44.20 N ATOM 1705 CA ARG A 116 98.488 -26.562 1.348 1.00 13.13 C ATOM 1706 C ARG A 116 99.389 -25.418 0.896 1.00 4.21 C ATOM 1707 O ARG A 116 98.979 -24.566 0.107 1.00 1.11 O ATOM 1708 CB ARG A 116 98.458 -27.655 0.278 1.00 74.02 C ATOM 1709 CG ARG A 116 97.658 -27.276 -0.957 1.00 62.42 C ATOM 1710 CD ARG A 116 98.322 -27.784 -2.228 1.00 2.01 C ATOM 1711 NE ARG A 116 97.440 -28.659 -2.995 1.00 34.24 N ATOM 1712 CZ ARG A 116 97.242 -29.940 -2.704 1.00 32.32 C ATOM 1713 NH1 ARG A 116 97.861 -30.492 -1.669 1.00 54.31 N ATOM 1714 NH2 ARG A 116 96.424 -30.673 -3.449 1.00 12.41 N ATOM 0 H ARG A 116 96.643 -25.727 0.805 1.00 44.20 H new ATOM 0 HA ARG A 116 98.893 -26.977 2.271 1.00 13.13 H new ATOM 0 HB2 ARG A 116 99.480 -27.889 -0.019 1.00 74.02 H new ATOM 0 HB3 ARG A 116 98.036 -28.563 0.710 1.00 74.02 H new ATOM 0 HG2 ARG A 116 96.652 -27.688 -0.881 1.00 62.42 H new ATOM 0 HG3 ARG A 116 97.555 -26.192 -1.007 1.00 62.42 H new ATOM 0 HD2 ARG A 116 98.618 -26.936 -2.846 1.00 2.01 H new ATOM 0 HD3 ARG A 116 99.233 -28.324 -1.970 1.00 2.01 H new ATOM 0 HE ARG A 116 96.949 -28.265 -3.798 1.00 34.24 H new ATOM 0 HH11 ARG A 116 98.491 -29.933 -1.094 1.00 54.31 H new ATOM 0 HH12 ARG A 116 97.707 -31.476 -1.448 1.00 54.31 H new ATOM 0 HH21 ARG A 116 95.946 -30.253 -4.246 1.00 12.41 H new ATOM 0 HH22 ARG A 116 96.273 -31.656 -3.224 1.00 12.41 H new ATOM 1728 N ARG A 117 100.618 -25.404 1.400 1.00 22.11 N ATOM 1729 CA ARG A 117 101.577 -24.362 1.050 1.00 60.45 C ATOM 1730 C ARG A 117 101.703 -24.228 -0.466 1.00 33.41 C ATOM 1731 O ARG A 117 101.258 -23.241 -1.050 1.00 4.23 O ATOM 1732 CB ARG A 117 102.945 -24.672 1.660 1.00 72.41 C ATOM 1733 CG ARG A 117 103.687 -25.795 0.954 1.00 62.20 C ATOM 1734 CD ARG A 117 105.068 -26.012 1.552 1.00 34.33 C ATOM 1735 NE ARG A 117 105.902 -24.817 1.454 1.00 13.21 N ATOM 1736 CZ ARG A 117 107.211 -24.815 1.677 1.00 24.13 C ATOM 1737 NH1 ARG A 117 107.833 -25.937 2.009 1.00 74.43 N ATOM 1738 NH2 ARG A 117 107.902 -23.686 1.568 1.00 42.32 N ATOM 0 H ARG A 117 100.974 -26.103 2.052 1.00 22.11 H new ATOM 0 HA ARG A 117 101.213 -23.417 1.453 1.00 60.45 H new ATOM 0 HB2 ARG A 117 103.558 -23.771 1.634 1.00 72.41 H new ATOM 0 HB3 ARG A 117 102.814 -24.938 2.709 1.00 72.41 H new ATOM 0 HG2 ARG A 117 103.109 -26.716 1.026 1.00 62.20 H new ATOM 0 HG3 ARG A 117 103.781 -25.560 -0.106 1.00 62.20 H new ATOM 0 HD2 ARG A 117 104.968 -26.299 2.599 1.00 34.33 H new ATOM 0 HD3 ARG A 117 105.559 -26.839 1.039 1.00 34.33 H new ATOM 0 HE ARG A 117 105.455 -23.936 1.200 1.00 13.21 H new ATOM 0 HH11 ARG A 117 107.306 -26.806 2.094 1.00 74.43 H new ATOM 0 HH12 ARG A 117 108.839 -25.931 2.179 1.00 74.43 H new ATOM 0 HH21 ARG A 117 107.427 -22.820 1.313 1.00 42.32 H new ATOM 0 HH22 ARG A 117 108.907 -23.685 1.739 1.00 42.32 H new TER 1752 ARG A 117