USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 679 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 92 HIS : no HD1:sc= -13.8! C(o=-15!,f=-15!) USER MOD Set 1.2: A 99 ASN : amide:sc= -1.47! K(o=-15!,f=-13) USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 81 ASN : amide:sc= -17.3! C(o=-51!,f=-27!) USER MOD Set 3.2: A 83 ASN : amide:sc= -23.2! C(o=-51!,f=-22!) USER MOD Set 3.3: A 85 GLN : amide:sc= -10.7! K(o=-51!,f=-25) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -10.7! C(o=-14!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -2.96! USER MOD Set 5.1: A 8 SER OG : rot 60:sc= 0.194 USER MOD Set 5.2: A 9 ASN : amide:sc= -17.7! C(o=-28!,f=-31!) USER MOD Set 5.3: A 11 TYR OH : rot 180:sc= -10.7! USER MOD Set 6.1: A 5 THR OG1 : rot -104:sc= -0.98! USER MOD Set 6.2: A 10 CYS SG : rot 57:sc= -6.03! USER MOD Set 7.1: A 1 ALA N :NH3+ -165:sc= -3.4! (180deg=-3.48!) USER MOD Set 7.2: A 12 SER OG : rot -23:sc= -1.92! USER MOD Single : A 2 CYS SG : rot -63:sc= -2.09! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -17.8! C(o=-18!,f=-22!) USER MOD Single : A 24 TYR OH : rot 117:sc= 0.00505 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 0.883 (180deg=0.348) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.39! C(o=-1.4!,f=-3.6!) USER MOD Single : A 37 SER OG : rot 61:sc= 1.14 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.55! C(o=-6.1!,f=-8.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 58:sc= -5.33! USER MOD Single : A 43 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.69) USER MOD Single : A 44 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.21) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -19:sc= 0.693 USER MOD Single : A 63 SER OG : rot -8:sc= 0.551! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -15:sc= 0.00419! USER MOD Single : A 69 SER OG : rot 180:sc= 0.432 USER MOD Single : A 72 SER OG : rot 57:sc= 0.917 USER MOD Single : A 84 ASN : amide:sc= -14.1! C(o=-14!,f=-7.1!) USER MOD Single : A 96 SER OG : rot -25:sc= 0.0699 USER MOD Single : A 98 ASN : amide:sc= -8.16! C(o=-8.2!,f=-3.3!) USER MOD Single : A 104 THR OG1 : rot -39:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.371 -14.774 -1.898 1.00 0.00 N ATOM 2 CA ALA A 1 -8.499 -15.791 -2.458 1.00 0.00 C ATOM 3 C ALA A 1 -7.069 -15.250 -2.526 1.00 0.00 C ATOM 4 O ALA A 1 -6.347 -15.266 -1.530 1.00 0.00 O ATOM 5 CB ALA A 1 -9.027 -16.218 -3.829 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.273 -15.208 -1.614 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.916 -14.346 -1.067 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.550 -14.039 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.486 -16.677 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.372 -16.981 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.034 -16.622 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.052 -15.355 -4.494 1.00 0.00 H new ATOM 11 N CYS A 2 -6.703 -14.783 -3.711 1.00 0.00 N ATOM 12 CA CYS A 2 -5.373 -14.239 -3.923 1.00 0.00 C ATOM 13 C CYS A 2 -5.357 -13.521 -5.274 1.00 0.00 C ATOM 14 O CYS A 2 -5.906 -14.022 -6.253 1.00 0.00 O ATOM 15 CB CYS A 2 -4.297 -15.324 -3.839 1.00 0.00 C ATOM 16 SG CYS A 2 -4.921 -16.993 -3.425 1.00 0.00 S ATOM 0 H CYS A 2 -7.305 -14.770 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.139 -13.527 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.775 -15.373 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.562 -15.030 -3.090 1.00 0.00 H new ATOM 0 HG CYS A 2 -5.460 -16.974 -2.242 1.00 0.00 H new ATOM 21 N ASP A 3 -4.721 -12.359 -5.283 1.00 0.00 N ATOM 22 CA ASP A 3 -4.626 -11.567 -6.498 1.00 0.00 C ATOM 23 C ASP A 3 -3.219 -10.978 -6.610 1.00 0.00 C ATOM 24 O ASP A 3 -2.688 -10.833 -7.710 1.00 0.00 O ATOM 25 CB ASP A 3 -5.623 -10.408 -6.479 1.00 0.00 C ATOM 26 CG ASP A 3 -7.078 -10.801 -6.744 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.581 -11.657 -5.986 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.654 -10.237 -7.700 1.00 0.00 O ATOM 0 H ASP A 3 -4.266 -11.947 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.847 -12.219 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.567 -9.916 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.319 -9.675 -7.226 1.00 0.00 H new ATOM 33 N TYR A 4 -2.654 -10.657 -5.455 1.00 0.00 N ATOM 34 CA TYR A 4 -1.317 -10.087 -5.409 1.00 0.00 C ATOM 35 C TYR A 4 -0.378 -10.959 -4.574 1.00 0.00 C ATOM 36 O TYR A 4 -0.686 -11.290 -3.429 1.00 0.00 O ATOM 37 CB TYR A 4 -1.464 -8.722 -4.732 1.00 0.00 C ATOM 38 CG TYR A 4 -2.462 -7.790 -5.421 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.036 -6.939 -6.419 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.790 -7.801 -5.043 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.975 -6.061 -7.067 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.730 -6.923 -5.692 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.276 -6.097 -6.671 1.00 0.00 C ATOM 44 OH TYR A 4 -5.163 -5.268 -7.284 1.00 0.00 O ATOM 0 H TYR A 4 -3.097 -10.780 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.896 -10.013 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.777 -8.872 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.489 -8.236 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.997 -6.931 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.124 -8.467 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.654 -5.389 -7.849 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.772 -6.921 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.055 -5.402 -6.901 1.00 0.00 H new ATOM 54 N THR A 5 0.749 -11.307 -5.178 1.00 0.00 N ATOM 55 CA THR A 5 1.735 -12.135 -4.504 1.00 0.00 C ATOM 56 C THR A 5 3.069 -11.393 -4.396 1.00 0.00 C ATOM 57 O THR A 5 3.743 -11.170 -5.401 1.00 0.00 O ATOM 58 CB THR A 5 1.837 -13.460 -5.261 1.00 0.00 C ATOM 59 OG1 THR A 5 0.721 -14.213 -4.793 1.00 0.00 O ATOM 60 CG2 THR A 5 3.050 -14.288 -4.832 1.00 0.00 C ATOM 0 H THR A 5 1.001 -11.031 -6.127 1.00 0.00 H new ATOM 0 HA THR A 5 1.435 -12.352 -3.479 1.00 0.00 H new ATOM 0 HB THR A 5 1.892 -13.263 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.028 -14.893 -4.158 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.075 -15.218 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.962 -13.722 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.978 -14.514 -3.768 1.00 0.00 H new ATOM 68 N CYS A 6 3.411 -11.030 -3.168 1.00 0.00 N ATOM 69 CA CYS A 6 4.652 -10.319 -2.917 1.00 0.00 C ATOM 70 C CYS A 6 5.772 -11.349 -2.756 1.00 0.00 C ATOM 71 O CYS A 6 6.382 -11.447 -1.692 1.00 0.00 O ATOM 72 CB CYS A 6 4.540 -9.402 -1.696 1.00 0.00 C ATOM 73 SG CYS A 6 3.713 -7.801 -2.013 1.00 0.00 S ATOM 0 H CYS A 6 2.850 -11.215 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 6 4.878 -9.667 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.994 -9.928 -0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.541 -9.208 -1.312 1.00 0.00 H new ATOM 78 N GLY A 7 6.010 -12.089 -3.829 1.00 0.00 N ATOM 79 CA GLY A 7 7.046 -13.108 -3.821 1.00 0.00 C ATOM 80 C GLY A 7 6.626 -14.309 -2.972 1.00 0.00 C ATOM 81 O GLY A 7 6.628 -15.443 -3.451 1.00 0.00 O ATOM 0 H GLY A 7 5.503 -12.003 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.250 -13.433 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.972 -12.687 -3.429 1.00 0.00 H new ATOM 85 N SER A 8 6.276 -14.021 -1.727 1.00 0.00 N ATOM 86 CA SER A 8 5.856 -15.064 -0.808 1.00 0.00 C ATOM 87 C SER A 8 4.510 -14.696 -0.179 1.00 0.00 C ATOM 88 O SER A 8 4.314 -14.869 1.023 1.00 0.00 O ATOM 89 CB SER A 8 6.905 -15.295 0.282 1.00 0.00 C ATOM 90 OG SER A 8 6.978 -14.201 1.193 1.00 0.00 O ATOM 0 H SER A 8 6.275 -13.080 -1.334 1.00 0.00 H new ATOM 0 HA SER A 8 5.747 -15.991 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.665 -16.207 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.880 -15.448 -0.180 1.00 0.00 H new ATOM 0 HG SER A 8 6.109 -14.081 1.631 1.00 0.00 H new ATOM 96 N ASN A 9 3.617 -14.194 -1.020 1.00 0.00 N ATOM 97 CA ASN A 9 2.296 -13.800 -0.561 1.00 0.00 C ATOM 98 C ASN A 9 1.272 -14.097 -1.657 1.00 0.00 C ATOM 99 O ASN A 9 1.618 -14.637 -2.706 1.00 0.00 O ATOM 100 CB ASN A 9 2.243 -12.302 -0.258 1.00 0.00 C ATOM 101 CG ASN A 9 3.482 -11.856 0.522 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.407 -11.420 1.660 1.00 0.00 O ATOM 103 ND2 ASN A 9 4.621 -11.988 -0.150 1.00 0.00 N ATOM 0 H ASN A 9 3.783 -14.051 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 9 2.073 -14.360 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.174 -11.741 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.345 -12.075 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.503 -11.717 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.613 -12.360 -1.100 1.00 0.00 H new ATOM 110 N CYS A 10 0.030 -13.731 -1.377 1.00 0.00 N ATOM 111 CA CYS A 10 -1.049 -13.951 -2.327 1.00 0.00 C ATOM 112 C CYS A 10 -2.342 -13.402 -1.720 1.00 0.00 C ATOM 113 O CYS A 10 -3.176 -14.164 -1.235 1.00 0.00 O ATOM 114 CB CYS A 10 -1.177 -15.428 -2.703 1.00 0.00 C ATOM 115 SG CYS A 10 -1.471 -15.743 -4.482 1.00 0.00 S ATOM 0 H CYS A 10 -0.254 -13.283 -0.506 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.833 -13.424 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.266 -15.945 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.995 -15.865 -2.131 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.513 -15.211 -5.181 1.00 0.00 H new ATOM 120 N TYR A 11 -2.468 -12.084 -1.769 1.00 0.00 N ATOM 121 CA TYR A 11 -3.646 -11.425 -1.231 1.00 0.00 C ATOM 122 C TYR A 11 -4.690 -11.191 -2.325 1.00 0.00 C ATOM 123 O TYR A 11 -4.386 -10.608 -3.364 1.00 0.00 O ATOM 124 CB TYR A 11 -3.166 -10.072 -0.702 1.00 0.00 C ATOM 125 CG TYR A 11 -1.661 -10.007 -0.433 1.00 0.00 C ATOM 126 CD1 TYR A 11 -0.789 -9.703 -1.458 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.177 -10.251 0.836 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.626 -9.642 -1.204 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.240 -10.189 1.090 1.00 0.00 C ATOM 130 CZ TYR A 11 1.071 -9.887 0.057 1.00 0.00 C ATOM 131 OH TYR A 11 2.409 -9.830 0.296 1.00 0.00 O ATOM 0 H TYR A 11 -1.774 -11.455 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.109 -12.036 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.430 -9.298 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.700 -9.844 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.168 -9.511 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.860 -10.488 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.319 -9.407 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.633 -10.378 2.078 1.00 0.00 H new ATOM 0 HH TYR A 11 2.581 -10.026 1.241 1.00 0.00 H new ATOM 141 N SER A 12 -5.900 -11.657 -2.051 1.00 0.00 N ATOM 142 CA SER A 12 -6.991 -11.505 -2.999 1.00 0.00 C ATOM 143 C SER A 12 -7.472 -10.053 -3.016 1.00 0.00 C ATOM 144 O SER A 12 -7.245 -9.309 -2.062 1.00 0.00 O ATOM 145 CB SER A 12 -8.151 -12.444 -2.658 1.00 0.00 C ATOM 146 OG SER A 12 -8.581 -13.193 -3.791 1.00 0.00 O ATOM 0 H SER A 12 -6.149 -12.139 -1.187 1.00 0.00 H new ATOM 0 HA SER A 12 -6.622 -11.770 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.844 -13.128 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.987 -11.862 -2.270 1.00 0.00 H new ATOM 0 HG SER A 12 -8.328 -12.720 -4.611 1.00 0.00 H new ATOM 152 N SER A 13 -8.127 -9.693 -4.109 1.00 0.00 N ATOM 153 CA SER A 13 -8.642 -8.342 -4.263 1.00 0.00 C ATOM 154 C SER A 13 -9.295 -7.879 -2.959 1.00 0.00 C ATOM 155 O SER A 13 -9.425 -6.680 -2.717 1.00 0.00 O ATOM 156 CB SER A 13 -9.644 -8.262 -5.416 1.00 0.00 C ATOM 157 OG SER A 13 -10.861 -8.940 -5.114 1.00 0.00 O ATOM 0 H SER A 13 -8.313 -10.313 -4.897 1.00 0.00 H new ATOM 0 HA SER A 13 -7.806 -7.683 -4.498 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.857 -7.217 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.200 -8.695 -6.312 1.00 0.00 H new ATOM 0 HG SER A 13 -11.475 -8.864 -5.874 1.00 0.00 H new ATOM 163 N SER A 14 -9.687 -8.855 -2.152 1.00 0.00 N ATOM 164 CA SER A 14 -10.323 -8.562 -0.879 1.00 0.00 C ATOM 165 C SER A 14 -9.264 -8.204 0.165 1.00 0.00 C ATOM 166 O SER A 14 -9.564 -7.540 1.157 1.00 0.00 O ATOM 167 CB SER A 14 -11.162 -9.748 -0.398 1.00 0.00 C ATOM 168 OG SER A 14 -11.872 -9.447 0.801 1.00 0.00 O ATOM 0 H SER A 14 -9.576 -9.848 -2.355 1.00 0.00 H new ATOM 0 HA SER A 14 -10.990 -7.711 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.870 -10.032 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.513 -10.607 -0.229 1.00 0.00 H new ATOM 0 HG SER A 14 -12.397 -10.228 1.075 1.00 0.00 H new ATOM 174 N ASP A 15 -8.046 -8.657 -0.094 1.00 0.00 N ATOM 175 CA ASP A 15 -6.940 -8.392 0.811 1.00 0.00 C ATOM 176 C ASP A 15 -6.385 -6.994 0.534 1.00 0.00 C ATOM 177 O ASP A 15 -5.758 -6.387 1.402 1.00 0.00 O ATOM 178 CB ASP A 15 -5.808 -9.401 0.608 1.00 0.00 C ATOM 179 CG ASP A 15 -5.889 -10.650 1.487 1.00 0.00 C ATOM 180 OD1 ASP A 15 -5.382 -10.575 2.627 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.456 -11.651 1.000 1.00 0.00 O ATOM 0 H ASP A 15 -7.801 -9.206 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.313 -8.471 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.801 -9.711 -0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.858 -8.902 0.799 1.00 0.00 H new ATOM 186 N VAL A 16 -6.634 -6.523 -0.678 1.00 0.00 N ATOM 187 CA VAL A 16 -6.166 -5.208 -1.082 1.00 0.00 C ATOM 188 C VAL A 16 -7.038 -4.137 -0.422 1.00 0.00 C ATOM 189 O VAL A 16 -6.591 -3.445 0.493 1.00 0.00 O ATOM 190 CB VAL A 16 -6.145 -5.103 -2.608 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.080 -3.642 -3.057 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.986 -5.910 -3.196 1.00 0.00 C ATOM 0 H VAL A 16 -7.154 -7.029 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.142 -5.049 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.075 -5.527 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.066 -3.596 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.953 -3.107 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.175 -3.180 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.993 -5.819 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.042 -5.528 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.095 -6.959 -2.919 1.00 0.00 H new ATOM 202 N SER A 17 -8.264 -4.034 -0.910 1.00 0.00 N ATOM 203 CA SER A 17 -9.202 -3.059 -0.380 1.00 0.00 C ATOM 204 C SER A 17 -9.071 -2.981 1.143 1.00 0.00 C ATOM 205 O SER A 17 -8.840 -1.907 1.695 1.00 0.00 O ATOM 206 CB SER A 17 -10.640 -3.408 -0.772 1.00 0.00 C ATOM 207 OG SER A 17 -11.517 -2.294 -0.628 1.00 0.00 O ATOM 0 H SER A 17 -8.631 -4.610 -1.668 1.00 0.00 H new ATOM 0 HA SER A 17 -8.963 -2.086 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.660 -3.754 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.995 -4.232 -0.153 1.00 0.00 H new ATOM 0 HG SER A 17 -12.424 -2.556 -0.889 1.00 0.00 H new ATOM 213 N THR A 18 -9.225 -4.135 1.777 1.00 0.00 N ATOM 214 CA THR A 18 -9.127 -4.210 3.224 1.00 0.00 C ATOM 215 C THR A 18 -7.916 -3.416 3.719 1.00 0.00 C ATOM 216 O THR A 18 -8.022 -2.643 4.670 1.00 0.00 O ATOM 217 CB THR A 18 -9.087 -5.687 3.619 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.455 -6.031 3.819 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.443 -5.911 4.989 1.00 0.00 C ATOM 0 H THR A 18 -9.417 -5.024 1.315 1.00 0.00 H new ATOM 0 HA THR A 18 -9.993 -3.754 3.703 1.00 0.00 H new ATOM 0 HB THR A 18 -8.537 -6.249 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.521 -6.974 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.440 -6.976 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.418 -5.540 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.011 -5.376 5.750 1.00 0.00 H new ATOM 227 N ALA A 19 -6.792 -3.635 3.052 1.00 0.00 N ATOM 228 CA ALA A 19 -5.562 -2.950 3.411 1.00 0.00 C ATOM 229 C ALA A 19 -5.753 -1.442 3.233 1.00 0.00 C ATOM 230 O ALA A 19 -5.348 -0.657 4.088 1.00 0.00 O ATOM 231 CB ALA A 19 -4.408 -3.496 2.569 1.00 0.00 C ATOM 0 H ALA A 19 -6.708 -4.278 2.264 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.314 -3.130 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.486 -2.982 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.296 -4.564 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.619 -3.332 1.512 1.00 0.00 H new ATOM 237 N GLN A 20 -6.369 -1.085 2.117 1.00 0.00 N ATOM 238 CA GLN A 20 -6.618 0.315 1.814 1.00 0.00 C ATOM 239 C GLN A 20 -7.486 0.947 2.905 1.00 0.00 C ATOM 240 O GLN A 20 -7.083 1.924 3.534 1.00 0.00 O ATOM 241 CB GLN A 20 -7.268 0.472 0.438 1.00 0.00 C ATOM 242 CG GLN A 20 -6.644 -0.490 -0.575 1.00 0.00 C ATOM 243 CD GLN A 20 -7.422 -0.478 -1.893 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.790 -1.507 -2.436 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.652 0.740 -2.374 1.00 0.00 N ATOM 0 H GLN A 20 -6.704 -1.740 1.411 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.661 0.837 1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.339 0.282 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.150 1.498 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.607 -0.209 -0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.633 -1.500 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.316 1.560 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.165 0.855 -3.248 1.00 0.00 H new ATOM 254 N ALA A 21 -8.659 0.364 3.095 1.00 0.00 N ATOM 255 CA ALA A 21 -9.587 0.858 4.099 1.00 0.00 C ATOM 256 C ALA A 21 -8.798 1.414 5.286 1.00 0.00 C ATOM 257 O ALA A 21 -9.174 2.433 5.862 1.00 0.00 O ATOM 258 CB ALA A 21 -10.541 -0.265 4.508 1.00 0.00 C ATOM 0 H ALA A 21 -8.989 -0.446 2.571 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.193 1.670 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.237 0.105 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.098 -0.605 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.969 -1.096 4.920 1.00 0.00 H new ATOM 264 N ALA A 22 -7.718 0.720 5.616 1.00 0.00 N ATOM 265 CA ALA A 22 -6.873 1.132 6.724 1.00 0.00 C ATOM 266 C ALA A 22 -6.022 2.327 6.293 1.00 0.00 C ATOM 267 O ALA A 22 -5.981 3.346 6.981 1.00 0.00 O ATOM 268 CB ALA A 22 -6.023 -0.053 7.185 1.00 0.00 C ATOM 0 H ALA A 22 -7.409 -0.125 5.135 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.479 1.448 7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.389 0.256 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.675 -0.865 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.398 -0.396 6.360 1.00 0.00 H new ATOM 274 N GLY A 23 -5.363 2.165 5.155 1.00 0.00 N ATOM 275 CA GLY A 23 -4.515 3.219 4.624 1.00 0.00 C ATOM 276 C GLY A 23 -5.288 4.532 4.493 1.00 0.00 C ATOM 277 O GLY A 23 -4.769 5.597 4.820 1.00 0.00 O ATOM 0 H GLY A 23 -5.399 1.319 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.655 3.363 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.128 2.922 3.649 1.00 0.00 H new ATOM 281 N TYR A 24 -6.518 4.412 4.014 1.00 0.00 N ATOM 282 CA TYR A 24 -7.369 5.576 3.837 1.00 0.00 C ATOM 283 C TYR A 24 -7.959 6.033 5.172 1.00 0.00 C ATOM 284 O TYR A 24 -7.675 7.137 5.635 1.00 0.00 O ATOM 285 CB TYR A 24 -8.507 5.131 2.916 1.00 0.00 C ATOM 286 CG TYR A 24 -9.220 6.282 2.206 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.837 7.586 2.448 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.247 6.018 1.323 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.509 8.670 1.780 1.00 0.00 C ATOM 290 CE2 TYR A 24 -10.919 7.102 0.654 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.516 8.375 0.916 1.00 0.00 C ATOM 292 OH TYR A 24 -11.150 9.398 0.284 1.00 0.00 O ATOM 0 H TYR A 24 -6.945 3.526 3.743 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.799 6.408 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.108 4.447 2.167 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.237 4.571 3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.033 7.793 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.547 4.998 1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.219 9.695 1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.724 6.909 -0.040 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.004 9.326 -0.682 1.00 0.00 H new ATOM 302 N LYS A 25 -8.769 5.162 5.754 1.00 0.00 N ATOM 303 CA LYS A 25 -9.401 5.463 7.028 1.00 0.00 C ATOM 304 C LYS A 25 -8.445 6.295 7.884 1.00 0.00 C ATOM 305 O LYS A 25 -8.748 7.436 8.229 1.00 0.00 O ATOM 306 CB LYS A 25 -9.874 4.176 7.708 1.00 0.00 C ATOM 307 CG LYS A 25 -10.504 4.476 9.070 1.00 0.00 C ATOM 308 CD LYS A 25 -11.858 5.169 8.906 1.00 0.00 C ATOM 309 CE LYS A 25 -12.590 5.267 10.247 1.00 0.00 C ATOM 310 NZ LYS A 25 -11.829 6.114 11.192 1.00 0.00 N ATOM 0 H LYS A 25 -9.003 4.247 5.367 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.297 6.064 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.599 3.669 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.031 3.496 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.631 3.548 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.835 5.110 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.712 6.167 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.470 4.616 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.585 5.685 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.724 4.271 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.487 6.571 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.156 5.524 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.308 6.843 10.663 1.00 0.00 H new ATOM 324 N LEU A 26 -7.309 5.692 8.201 1.00 0.00 N ATOM 325 CA LEU A 26 -6.306 6.363 9.010 1.00 0.00 C ATOM 326 C LEU A 26 -5.873 7.654 8.311 1.00 0.00 C ATOM 327 O LEU A 26 -5.658 8.675 8.962 1.00 0.00 O ATOM 328 CB LEU A 26 -5.146 5.415 9.322 1.00 0.00 C ATOM 329 CG LEU A 26 -4.061 5.965 10.249 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.358 5.616 11.709 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.674 5.484 9.816 1.00 0.00 C ATOM 0 H LEU A 26 -7.061 4.746 7.912 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.724 6.647 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.554 4.509 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.679 5.123 8.382 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.064 7.052 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.571 6.019 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.316 6.047 11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.399 4.533 11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.921 5.889 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.641 4.395 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.471 5.825 8.801 1.00 0.00 H new ATOM 343 N HIS A 27 -5.759 7.567 6.994 1.00 0.00 N ATOM 344 CA HIS A 27 -5.357 8.715 6.200 1.00 0.00 C ATOM 345 C HIS A 27 -6.387 9.833 6.356 1.00 0.00 C ATOM 346 O HIS A 27 -6.028 10.983 6.606 1.00 0.00 O ATOM 347 CB HIS A 27 -5.134 8.313 4.740 1.00 0.00 C ATOM 348 CG HIS A 27 -4.968 9.484 3.800 1.00 0.00 C ATOM 349 ND1 HIS A 27 -3.958 10.418 3.938 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.695 9.861 2.709 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.080 11.313 2.968 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.158 10.966 2.208 1.00 0.00 N ATOM 0 H HIS A 27 -5.938 6.719 6.457 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.402 9.096 6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.247 7.682 4.679 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.978 7.709 4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.561 9.347 2.319 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.439 12.167 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.496 11.472 1.390 1.00 0.00 H new ATOM 361 N GLU A 28 -7.649 9.459 6.203 1.00 0.00 N ATOM 362 CA GLU A 28 -8.734 10.417 6.325 1.00 0.00 C ATOM 363 C GLU A 28 -8.751 11.024 7.729 1.00 0.00 C ATOM 364 O GLU A 28 -9.225 12.143 7.920 1.00 0.00 O ATOM 365 CB GLU A 28 -10.079 9.768 5.992 1.00 0.00 C ATOM 366 CG GLU A 28 -9.886 8.336 5.489 1.00 0.00 C ATOM 367 CD GLU A 28 -11.203 7.755 4.971 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.221 7.940 5.673 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.164 7.138 3.885 1.00 0.00 O ATOM 0 H GLU A 28 -7.944 8.505 5.996 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.567 11.219 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.714 9.764 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.594 10.358 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.141 8.323 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.501 7.712 6.296 1.00 0.00 H new ATOM 376 N ASP A 29 -8.230 10.259 8.676 1.00 0.00 N ATOM 377 CA ASP A 29 -8.180 10.707 10.058 1.00 0.00 C ATOM 378 C ASP A 29 -6.886 11.490 10.288 1.00 0.00 C ATOM 379 O ASP A 29 -6.779 12.249 11.249 1.00 0.00 O ATOM 380 CB ASP A 29 -8.192 9.520 11.023 1.00 0.00 C ATOM 381 CG ASP A 29 -9.581 8.964 11.345 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.160 8.322 10.441 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.033 9.192 12.488 1.00 0.00 O ATOM 0 H ASP A 29 -7.838 9.331 8.514 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.055 11.330 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.586 8.720 10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.713 9.823 11.954 1.00 0.00 H new ATOM 388 N GLY A 30 -5.936 11.277 9.390 1.00 0.00 N ATOM 389 CA GLY A 30 -4.652 11.954 9.484 1.00 0.00 C ATOM 390 C GLY A 30 -3.769 11.309 10.554 1.00 0.00 C ATOM 391 O GLY A 30 -2.867 11.952 11.089 1.00 0.00 O ATOM 0 H GLY A 30 -6.028 10.646 8.594 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.146 11.917 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.808 13.006 9.722 1.00 0.00 H new ATOM 395 N GLU A 31 -4.061 10.047 10.834 1.00 0.00 N ATOM 396 CA GLU A 31 -3.304 9.308 11.831 1.00 0.00 C ATOM 397 C GLU A 31 -2.262 8.416 11.153 1.00 0.00 C ATOM 398 O GLU A 31 -2.259 8.279 9.930 1.00 0.00 O ATOM 399 CB GLU A 31 -4.233 8.484 12.724 1.00 0.00 C ATOM 400 CG GLU A 31 -5.016 9.386 13.681 1.00 0.00 C ATOM 401 CD GLU A 31 -4.105 9.944 14.776 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.849 9.190 15.740 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.686 11.111 14.627 1.00 0.00 O ATOM 0 H GLU A 31 -4.811 9.518 10.388 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.782 10.023 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.927 7.915 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.649 7.762 13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.468 10.208 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.831 8.821 14.134 1.00 0.00 H new ATOM 410 N THR A 32 -1.403 7.834 11.976 1.00 0.00 N ATOM 411 CA THR A 32 -0.358 6.958 11.471 1.00 0.00 C ATOM 412 C THR A 32 -0.443 5.585 12.140 1.00 0.00 C ATOM 413 O THR A 32 -1.322 5.347 12.967 1.00 0.00 O ATOM 414 CB THR A 32 0.987 7.657 11.684 1.00 0.00 C ATOM 415 OG1 THR A 32 1.059 7.850 13.093 1.00 0.00 O ATOM 416 CG2 THR A 32 1.006 9.076 11.112 1.00 0.00 C ATOM 0 H THR A 32 -1.409 7.951 12.989 1.00 0.00 H new ATOM 0 HA THR A 32 -0.479 6.771 10.404 1.00 0.00 H new ATOM 0 HB THR A 32 1.779 7.068 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.902 8.296 13.319 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.982 9.527 11.290 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.813 9.039 10.040 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.236 9.675 11.598 1.00 0.00 H new ATOM 424 N VAL A 33 0.484 4.719 11.758 1.00 0.00 N ATOM 425 CA VAL A 33 0.525 3.376 12.312 1.00 0.00 C ATOM 426 C VAL A 33 1.983 2.959 12.520 1.00 0.00 C ATOM 427 O VAL A 33 2.797 3.059 11.603 1.00 0.00 O ATOM 428 CB VAL A 33 -0.249 2.414 11.408 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.520 3.072 10.869 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.633 1.905 10.266 1.00 0.00 C ATOM 0 H VAL A 33 1.212 4.921 11.072 1.00 0.00 H new ATOM 0 HA VAL A 33 0.037 3.349 13.286 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.546 1.555 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.051 2.367 10.230 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.161 3.361 11.702 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.254 3.957 10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.059 1.223 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.975 2.749 9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.495 1.380 10.678 1.00 0.00 H new ATOM 440 N GLY A 34 2.267 2.502 13.730 1.00 0.00 N ATOM 441 CA GLY A 34 3.612 2.069 14.070 1.00 0.00 C ATOM 442 C GLY A 34 4.491 3.262 14.451 1.00 0.00 C ATOM 443 O GLY A 34 4.003 4.245 15.006 1.00 0.00 O ATOM 0 H GLY A 34 1.589 2.422 14.488 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.572 1.362 14.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.054 1.543 13.224 1.00 0.00 H new ATOM 447 N SER A 35 5.772 3.136 14.139 1.00 0.00 N ATOM 448 CA SER A 35 6.724 4.191 14.442 1.00 0.00 C ATOM 449 C SER A 35 6.937 5.074 13.211 1.00 0.00 C ATOM 450 O SER A 35 7.484 6.170 13.315 1.00 0.00 O ATOM 451 CB SER A 35 8.058 3.611 14.915 1.00 0.00 C ATOM 452 OG SER A 35 7.877 2.511 15.802 1.00 0.00 O ATOM 0 H SER A 35 6.173 2.319 13.679 1.00 0.00 H new ATOM 0 HA SER A 35 6.315 4.797 15.250 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.640 3.288 14.051 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.635 4.389 15.415 1.00 0.00 H new ATOM 0 HG SER A 35 8.752 2.168 16.080 1.00 0.00 H new ATOM 458 N ASN A 36 6.492 4.562 12.071 1.00 0.00 N ATOM 459 CA ASN A 36 6.626 5.291 10.822 1.00 0.00 C ATOM 460 C ASN A 36 5.508 6.331 10.719 1.00 0.00 C ATOM 461 O ASN A 36 4.854 6.644 11.712 1.00 0.00 O ATOM 462 CB ASN A 36 6.510 4.350 9.621 1.00 0.00 C ATOM 463 CG ASN A 36 7.884 4.068 9.010 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.916 4.444 9.540 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.838 3.385 7.870 1.00 0.00 N ATOM 0 H ASN A 36 6.039 3.652 11.988 1.00 0.00 H new ATOM 0 HA ASN A 36 7.606 5.768 10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.047 3.413 9.932 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.858 4.794 8.869 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.702 3.145 7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.939 3.101 7.482 1.00 0.00 H new ATOM 472 N SER A 37 5.322 6.836 9.508 1.00 0.00 N ATOM 473 CA SER A 37 4.294 7.832 9.263 1.00 0.00 C ATOM 474 C SER A 37 3.348 7.349 8.162 1.00 0.00 C ATOM 475 O SER A 37 2.991 8.112 7.266 1.00 0.00 O ATOM 476 CB SER A 37 4.913 9.178 8.878 1.00 0.00 C ATOM 477 OG SER A 37 5.094 9.299 7.470 1.00 0.00 O ATOM 0 H SER A 37 5.866 6.574 8.686 1.00 0.00 H new ATOM 0 HA SER A 37 3.727 7.972 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.273 9.986 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.875 9.291 9.378 1.00 0.00 H new ATOM 0 HG SER A 37 4.224 9.243 7.022 1.00 0.00 H new ATOM 483 N TYR A 38 2.970 6.083 8.266 1.00 0.00 N ATOM 484 CA TYR A 38 2.072 5.488 7.290 1.00 0.00 C ATOM 485 C TYR A 38 0.619 5.562 7.765 1.00 0.00 C ATOM 486 O TYR A 38 0.350 5.493 8.962 1.00 0.00 O ATOM 487 CB TYR A 38 2.485 4.020 7.176 1.00 0.00 C ATOM 488 CG TYR A 38 3.831 3.804 6.482 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.836 4.741 6.618 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.040 2.673 5.720 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.102 4.537 5.964 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.308 2.470 5.066 1.00 0.00 C ATOM 493 CZ TYR A 38 6.276 3.412 5.221 1.00 0.00 C ATOM 494 OH TYR A 38 7.473 3.220 4.603 1.00 0.00 O ATOM 0 H TYR A 38 3.269 5.453 9.011 1.00 0.00 H new ATOM 0 HA TYR A 38 2.137 6.015 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.530 3.587 8.175 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.714 3.478 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.672 5.626 7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.254 1.940 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.896 5.262 6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.485 1.589 4.466 1.00 0.00 H new ATOM 0 HH TYR A 38 7.454 2.374 4.109 1.00 0.00 H new ATOM 504 N PRO A 39 -0.302 5.705 6.775 1.00 0.00 N ATOM 505 CA PRO A 39 0.101 5.778 5.381 1.00 0.00 C ATOM 506 C PRO A 39 0.710 7.144 5.059 1.00 0.00 C ATOM 507 O PRO A 39 0.960 7.945 5.958 1.00 0.00 O ATOM 508 CB PRO A 39 -1.164 5.490 4.590 1.00 0.00 C ATOM 509 CG PRO A 39 -2.319 5.724 5.550 1.00 0.00 C ATOM 510 CD PRO A 39 -1.748 5.799 6.956 1.00 0.00 C ATOM 0 HA PRO A 39 0.883 5.061 5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.239 6.145 3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.167 4.466 4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.842 6.647 5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.047 4.916 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.026 6.732 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.123 4.987 7.579 1.00 0.00 H new ATOM 518 N HIS A 40 0.933 7.368 3.772 1.00 0.00 N ATOM 519 CA HIS A 40 1.508 8.623 3.318 1.00 0.00 C ATOM 520 C HIS A 40 1.669 8.595 1.797 1.00 0.00 C ATOM 521 O HIS A 40 1.515 7.547 1.173 1.00 0.00 O ATOM 522 CB HIS A 40 2.821 8.913 4.048 1.00 0.00 C ATOM 523 CG HIS A 40 3.958 8.003 3.651 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.693 8.182 2.492 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.480 6.905 4.272 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.611 7.229 2.427 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.477 6.438 3.530 1.00 0.00 N ATOM 0 H HIS A 40 0.726 6.701 3.029 1.00 0.00 H new ATOM 0 HA HIS A 40 0.834 9.445 3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.112 9.946 3.855 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.655 8.823 5.122 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.552 8.922 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.140 6.487 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.338 7.101 1.639 1.00 0.00 H new ATOM 536 N LYS A 41 1.976 9.760 1.245 1.00 0.00 N ATOM 537 CA LYS A 41 2.159 9.881 -0.191 1.00 0.00 C ATOM 538 C LYS A 41 3.159 8.825 -0.665 1.00 0.00 C ATOM 539 O LYS A 41 3.936 8.300 0.131 1.00 0.00 O ATOM 540 CB LYS A 41 2.554 11.313 -0.561 1.00 0.00 C ATOM 541 CG LYS A 41 2.537 11.511 -2.078 1.00 0.00 C ATOM 542 CD LYS A 41 3.924 11.269 -2.679 1.00 0.00 C ATOM 543 CE LYS A 41 4.776 12.537 -2.619 1.00 0.00 C ATOM 544 NZ LYS A 41 5.216 12.931 -3.976 1.00 0.00 N ATOM 0 H LYS A 41 2.102 10.628 1.766 1.00 0.00 H new ATOM 0 HA LYS A 41 1.221 9.688 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.867 12.017 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.549 11.532 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.817 10.828 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.207 12.523 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.423 10.465 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.824 10.943 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.203 13.346 -2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.645 12.368 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.793 13.794 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.781 12.164 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.383 13.112 -4.572 1.00 0.00 H new ATOM 558 N TYR A 42 3.107 8.547 -1.959 1.00 0.00 N ATOM 559 CA TYR A 42 3.999 7.562 -2.548 1.00 0.00 C ATOM 560 C TYR A 42 4.220 7.843 -4.036 1.00 0.00 C ATOM 561 O TYR A 42 5.326 7.672 -4.547 1.00 0.00 O ATOM 562 CB TYR A 42 3.297 6.212 -2.395 1.00 0.00 C ATOM 563 CG TYR A 42 3.869 5.108 -3.288 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.645 5.137 -4.649 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.609 4.085 -2.731 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.184 4.098 -5.489 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.147 3.046 -3.571 1.00 0.00 C ATOM 568 CZ TYR A 42 4.908 3.104 -4.908 1.00 0.00 C ATOM 569 OH TYR A 42 5.416 2.124 -5.702 1.00 0.00 O ATOM 0 H TYR A 42 2.462 8.986 -2.616 1.00 0.00 H new ATOM 0 HA TYR A 42 4.972 7.585 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.365 5.895 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.238 6.337 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.066 5.938 -5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.785 4.063 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.017 4.108 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.727 2.239 -3.148 1.00 0.00 H new ATOM 0 HH TYR A 42 5.989 2.524 -6.389 1.00 0.00 H new ATOM 579 N ASN A 43 3.149 8.270 -4.690 1.00 0.00 N ATOM 580 CA ASN A 43 3.212 8.577 -6.109 1.00 0.00 C ATOM 581 C ASN A 43 3.668 7.334 -6.875 1.00 0.00 C ATOM 582 O ASN A 43 2.854 6.478 -7.217 1.00 0.00 O ATOM 583 CB ASN A 43 4.215 9.698 -6.386 1.00 0.00 C ATOM 584 CG ASN A 43 3.516 11.059 -6.439 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.882 11.944 -7.195 1.00 0.00 O ATOM 586 ND2 ASN A 43 2.494 11.175 -5.597 1.00 0.00 N ATOM 0 H ASN A 43 2.233 8.410 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 43 2.220 8.894 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.979 9.708 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.724 9.510 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.963 12.045 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.241 10.394 -4.991 1.00 0.00 H new ATOM 593 N ASN A 44 4.968 7.274 -7.122 1.00 0.00 N ATOM 594 CA ASN A 44 5.543 6.150 -7.842 1.00 0.00 C ATOM 595 C ASN A 44 6.821 6.602 -8.549 1.00 0.00 C ATOM 596 O ASN A 44 7.104 7.797 -8.624 1.00 0.00 O ATOM 597 CB ASN A 44 4.576 5.624 -8.903 1.00 0.00 C ATOM 598 CG ASN A 44 4.577 6.524 -10.141 1.00 0.00 C ATOM 599 OD1 ASN A 44 3.811 7.467 -10.255 1.00 0.00 O ATOM 600 ND2 ASN A 44 5.478 6.181 -11.058 1.00 0.00 N ATOM 0 H ASN A 44 5.640 7.986 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 44 5.753 5.360 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.858 4.610 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.569 5.571 -8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.558 6.720 -11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.088 5.380 -10.898 1.00 0.00 H new ATOM 607 N TYR A 45 7.561 5.623 -9.050 1.00 0.00 N ATOM 608 CA TYR A 45 8.803 5.906 -9.750 1.00 0.00 C ATOM 609 C TYR A 45 9.431 4.622 -10.293 1.00 0.00 C ATOM 610 O TYR A 45 9.792 4.552 -11.467 1.00 0.00 O ATOM 611 CB TYR A 45 9.742 6.519 -8.709 1.00 0.00 C ATOM 612 CG TYR A 45 9.771 8.049 -8.720 1.00 0.00 C ATOM 613 CD1 TYR A 45 9.010 8.746 -9.636 1.00 0.00 C ATOM 614 CD2 TYR A 45 10.558 8.730 -7.814 1.00 0.00 C ATOM 615 CE1 TYR A 45 9.038 10.186 -9.646 1.00 0.00 C ATOM 616 CE2 TYR A 45 10.584 10.170 -7.824 1.00 0.00 C ATOM 617 CZ TYR A 45 9.823 10.827 -8.740 1.00 0.00 C ATOM 618 OH TYR A 45 9.848 12.187 -8.750 1.00 0.00 O ATOM 0 H TYR A 45 7.324 4.633 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 45 8.625 6.570 -10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.441 6.179 -7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 45 10.752 6.146 -8.881 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.394 8.212 -10.345 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.154 8.184 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.448 10.744 -10.358 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.194 10.716 -7.120 1.00 0.00 H new ATOM 0 HH TYR A 45 10.451 12.508 -8.047 1.00 0.00 H new ATOM 628 N GLU A 46 9.541 3.637 -9.413 1.00 0.00 N ATOM 629 CA GLU A 46 10.119 2.358 -9.791 1.00 0.00 C ATOM 630 C GLU A 46 9.557 1.898 -11.137 1.00 0.00 C ATOM 631 O GLU A 46 10.148 1.050 -11.803 1.00 0.00 O ATOM 632 CB GLU A 46 9.877 1.306 -8.706 1.00 0.00 C ATOM 633 CG GLU A 46 10.624 1.664 -7.420 1.00 0.00 C ATOM 634 CD GLU A 46 11.334 3.012 -7.554 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.482 3.002 -8.046 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.711 4.023 -7.161 1.00 0.00 O ATOM 0 H GLU A 46 9.240 3.699 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 46 11.197 2.484 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.809 1.228 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.205 0.329 -9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.923 1.700 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.353 0.887 -7.190 1.00 0.00 H new ATOM 643 N GLY A 47 8.420 2.477 -11.496 1.00 0.00 N ATOM 644 CA GLY A 47 7.771 2.136 -12.751 1.00 0.00 C ATOM 645 C GLY A 47 6.441 1.422 -12.504 1.00 0.00 C ATOM 646 O GLY A 47 6.215 0.327 -13.018 1.00 0.00 O ATOM 0 H GLY A 47 7.932 3.179 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.599 3.041 -13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.427 1.497 -13.342 1.00 0.00 H new ATOM 650 N PHE A 48 5.594 2.070 -11.716 1.00 0.00 N ATOM 651 CA PHE A 48 4.293 1.511 -11.395 1.00 0.00 C ATOM 652 C PHE A 48 3.215 2.055 -12.335 1.00 0.00 C ATOM 653 O PHE A 48 3.157 3.257 -12.590 1.00 0.00 O ATOM 654 CB PHE A 48 3.965 1.936 -9.963 1.00 0.00 C ATOM 655 CG PHE A 48 4.896 1.336 -8.907 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.645 0.098 -8.403 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.975 2.041 -8.472 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.510 -0.459 -7.424 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.839 1.484 -7.493 1.00 0.00 C ATOM 660 CZ PHE A 48 6.588 0.246 -6.990 1.00 0.00 C ATOM 0 H PHE A 48 5.785 2.977 -11.291 1.00 0.00 H new ATOM 0 HA PHE A 48 4.317 0.427 -11.503 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.011 3.023 -9.898 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.939 1.646 -9.735 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.788 -0.462 -8.747 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.174 3.024 -8.871 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.311 -1.443 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.696 2.044 -7.148 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.246 -0.177 -6.245 1.00 0.00 H new ATOM 670 N ASP A 49 2.388 1.144 -12.825 1.00 0.00 N ATOM 671 CA ASP A 49 1.315 1.517 -13.732 1.00 0.00 C ATOM 672 C ASP A 49 0.040 1.774 -12.927 1.00 0.00 C ATOM 673 O ASP A 49 -0.979 1.121 -13.147 1.00 0.00 O ATOM 674 CB ASP A 49 1.025 0.397 -14.733 1.00 0.00 C ATOM 675 CG ASP A 49 2.228 -0.476 -15.092 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.563 -1.352 -14.264 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.787 -0.251 -16.187 1.00 0.00 O ATOM 0 H ASP A 49 2.439 0.148 -12.611 1.00 0.00 H new ATOM 0 HA ASP A 49 1.626 2.411 -14.272 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.241 -0.241 -14.325 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.631 0.840 -15.647 1.00 0.00 H new ATOM 682 N PHE A 50 0.138 2.727 -12.012 1.00 0.00 N ATOM 683 CA PHE A 50 -0.996 3.078 -11.173 1.00 0.00 C ATOM 684 C PHE A 50 -2.142 3.646 -12.011 1.00 0.00 C ATOM 685 O PHE A 50 -2.182 4.845 -12.285 1.00 0.00 O ATOM 686 CB PHE A 50 -0.513 4.151 -10.195 1.00 0.00 C ATOM 687 CG PHE A 50 0.430 3.627 -9.111 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.793 2.317 -9.101 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.905 4.471 -8.156 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.668 1.830 -8.094 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.779 3.984 -7.149 1.00 0.00 C ATOM 692 CZ PHE A 50 2.143 2.674 -7.140 1.00 0.00 C ATOM 0 H PHE A 50 0.985 3.267 -11.833 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.365 2.193 -10.655 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.005 4.936 -10.755 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.379 4.609 -9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.416 1.646 -9.859 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.617 5.512 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.956 0.789 -8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.155 4.654 -6.390 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.809 2.304 -6.375 1.00 0.00 H new ATOM 702 N SER A 51 -3.048 2.759 -12.395 1.00 0.00 N ATOM 703 CA SER A 51 -4.193 3.157 -13.196 1.00 0.00 C ATOM 704 C SER A 51 -5.189 3.936 -12.335 1.00 0.00 C ATOM 705 O SER A 51 -6.378 3.987 -12.648 1.00 0.00 O ATOM 706 CB SER A 51 -4.874 1.941 -13.827 1.00 0.00 C ATOM 707 OG SER A 51 -5.426 1.069 -12.844 1.00 0.00 O ATOM 0 H SER A 51 -3.012 1.766 -12.166 1.00 0.00 H new ATOM 0 HA SER A 51 -3.839 3.800 -14.002 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.664 2.276 -14.499 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.151 1.394 -14.432 1.00 0.00 H new ATOM 0 HG SER A 51 -5.853 0.306 -13.286 1.00 0.00 H new ATOM 713 N VAL A 52 -4.668 4.523 -11.268 1.00 0.00 N ATOM 714 CA VAL A 52 -5.497 5.297 -10.360 1.00 0.00 C ATOM 715 C VAL A 52 -5.045 6.758 -10.384 1.00 0.00 C ATOM 716 O VAL A 52 -3.930 7.060 -10.803 1.00 0.00 O ATOM 717 CB VAL A 52 -5.454 4.681 -8.959 1.00 0.00 C ATOM 718 CG1 VAL A 52 -5.868 3.208 -8.996 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.070 4.847 -8.329 1.00 0.00 C ATOM 0 H VAL A 52 -3.682 4.478 -11.012 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.539 5.274 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.171 5.215 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.829 2.794 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.883 3.125 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.187 2.655 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.067 4.401 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.325 4.351 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.830 5.907 -8.252 1.00 0.00 H new ATOM 729 N SER A 53 -5.936 7.628 -9.927 1.00 0.00 N ATOM 730 CA SER A 53 -5.642 9.050 -9.891 1.00 0.00 C ATOM 731 C SER A 53 -4.981 9.414 -8.561 1.00 0.00 C ATOM 732 O SER A 53 -5.383 8.922 -7.508 1.00 0.00 O ATOM 733 CB SER A 53 -6.912 9.879 -10.097 1.00 0.00 C ATOM 734 OG SER A 53 -6.618 11.216 -10.493 1.00 0.00 O ATOM 0 H SER A 53 -6.861 7.375 -9.579 1.00 0.00 H new ATOM 0 HA SER A 53 -4.954 9.278 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.535 9.405 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.490 9.893 -9.173 1.00 0.00 H new ATOM 0 HG SER A 53 -7.454 11.712 -10.616 1.00 0.00 H new ATOM 740 N SER A 54 -3.976 10.273 -8.652 1.00 0.00 N ATOM 741 CA SER A 54 -3.254 10.709 -7.469 1.00 0.00 C ATOM 742 C SER A 54 -4.173 11.539 -6.571 1.00 0.00 C ATOM 743 O SER A 54 -5.287 11.883 -6.965 1.00 0.00 O ATOM 744 CB SER A 54 -2.012 11.516 -7.848 1.00 0.00 C ATOM 745 OG SER A 54 -2.272 12.917 -7.870 1.00 0.00 O ATOM 0 H SER A 54 -3.645 10.679 -9.527 1.00 0.00 H new ATOM 0 HA SER A 54 -2.926 9.824 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.213 11.307 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.658 11.198 -8.828 1.00 0.00 H new ATOM 0 HG SER A 54 -1.454 13.398 -8.115 1.00 0.00 H new ATOM 751 N PRO A 55 -3.661 11.845 -5.349 1.00 0.00 N ATOM 752 CA PRO A 55 -2.334 11.399 -4.961 1.00 0.00 C ATOM 753 C PRO A 55 -2.334 9.906 -4.625 1.00 0.00 C ATOM 754 O PRO A 55 -3.381 9.333 -4.329 1.00 0.00 O ATOM 755 CB PRO A 55 -1.954 12.274 -3.777 1.00 0.00 C ATOM 756 CG PRO A 55 -3.258 12.856 -3.256 1.00 0.00 C ATOM 757 CD PRO A 55 -4.329 12.623 -4.308 1.00 0.00 C ATOM 0 HA PRO A 55 -1.605 11.501 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.450 11.691 -3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.267 13.064 -4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.538 12.382 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.146 13.921 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.180 12.082 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.710 13.566 -4.701 1.00 0.00 H new ATOM 765 N TYR A 56 -1.148 9.319 -4.683 1.00 0.00 N ATOM 766 CA TYR A 56 -0.998 7.904 -4.388 1.00 0.00 C ATOM 767 C TYR A 56 -0.482 7.693 -2.964 1.00 0.00 C ATOM 768 O TYR A 56 0.625 8.113 -2.631 1.00 0.00 O ATOM 769 CB TYR A 56 0.042 7.375 -5.378 1.00 0.00 C ATOM 770 CG TYR A 56 -0.414 7.413 -6.838 1.00 0.00 C ATOM 771 CD1 TYR A 56 -1.734 7.162 -7.156 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.494 7.697 -7.838 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.162 7.197 -8.530 1.00 0.00 C ATOM 774 CE2 TYR A 56 0.066 7.732 -9.212 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.242 7.480 -9.490 1.00 0.00 C ATOM 776 OH TYR A 56 -1.647 7.513 -10.788 1.00 0.00 O ATOM 0 H TYR A 56 -0.282 9.797 -4.930 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.956 7.390 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.955 7.961 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.292 6.348 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.445 6.939 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.527 7.893 -7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.191 7.003 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.767 7.953 -10.004 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.494 7.028 -10.879 1.00 0.00 H new ATOM 786 N TYR A 57 -1.309 7.041 -2.159 1.00 0.00 N ATOM 787 CA TYR A 57 -0.950 6.768 -0.778 1.00 0.00 C ATOM 788 C TYR A 57 -0.428 5.339 -0.619 1.00 0.00 C ATOM 789 O TYR A 57 -1.011 4.397 -1.155 1.00 0.00 O ATOM 790 CB TYR A 57 -2.241 6.919 0.031 1.00 0.00 C ATOM 791 CG TYR A 57 -2.906 8.290 -0.109 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.174 9.369 -0.562 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.237 8.448 0.217 1.00 0.00 C ATOM 794 CE1 TYR A 57 -2.800 10.659 -0.694 1.00 0.00 C ATOM 795 CE2 TYR A 57 -4.863 9.738 0.086 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.112 10.780 -0.363 1.00 0.00 C ATOM 797 OH TYR A 57 -4.704 11.999 -0.488 1.00 0.00 O ATOM 0 H TYR A 57 -2.227 6.694 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.165 7.447 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.947 6.150 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.021 6.739 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.132 9.246 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.810 7.604 0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.239 11.511 -1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.904 9.875 0.338 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.351 12.606 0.195 1.00 0.00 H new ATOM 807 N GLU A 58 0.665 5.221 0.119 1.00 0.00 N ATOM 808 CA GLU A 58 1.273 3.923 0.356 1.00 0.00 C ATOM 809 C GLU A 58 0.860 3.385 1.727 1.00 0.00 C ATOM 810 O GLU A 58 0.703 4.151 2.677 1.00 0.00 O ATOM 811 CB GLU A 58 2.796 4.000 0.233 1.00 0.00 C ATOM 812 CG GLU A 58 3.377 4.995 1.238 1.00 0.00 C ATOM 813 CD GLU A 58 3.182 4.503 2.673 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.566 3.341 2.932 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.654 5.299 3.479 1.00 0.00 O ATOM 0 H GLU A 58 1.146 6.004 0.561 1.00 0.00 H new ATOM 0 HA GLU A 58 0.914 3.231 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.228 3.014 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.068 4.299 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.439 5.138 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.896 5.965 1.114 1.00 0.00 H new ATOM 822 N TRP A 59 0.697 2.071 1.787 1.00 0.00 N ATOM 823 CA TRP A 59 0.305 1.423 3.027 1.00 0.00 C ATOM 824 C TRP A 59 0.660 -0.061 2.916 1.00 0.00 C ATOM 825 O TRP A 59 0.603 -0.638 1.832 1.00 0.00 O ATOM 826 CB TRP A 59 -1.176 1.662 3.327 1.00 0.00 C ATOM 827 CG TRP A 59 -1.741 0.764 4.430 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.405 -0.391 4.294 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.662 0.997 5.853 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.760 -0.918 5.519 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.293 -0.047 6.497 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.076 2.055 6.570 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.399 -0.135 7.890 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.192 1.952 7.962 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.824 0.907 8.626 1.00 0.00 C ATOM 0 H TRP A 59 0.829 1.438 0.998 1.00 0.00 H new ATOM 0 HA TRP A 59 0.845 1.849 3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.314 2.704 3.615 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.751 1.505 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.634 -0.852 3.345 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.271 -1.786 5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.576 2.881 6.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.898 -0.963 8.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.760 2.740 8.562 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.871 0.899 9.705 1.00 0.00 H new ATOM 846 N PRO A 60 1.029 -0.653 4.084 1.00 0.00 N ATOM 847 CA PRO A 60 1.395 -2.059 4.128 1.00 0.00 C ATOM 848 C PRO A 60 0.155 -2.950 4.029 1.00 0.00 C ATOM 849 O PRO A 60 -0.951 -2.522 4.358 1.00 0.00 O ATOM 850 CB PRO A 60 2.145 -2.229 5.440 1.00 0.00 C ATOM 851 CG PRO A 60 1.771 -1.028 6.292 1.00 0.00 C ATOM 852 CD PRO A 60 1.109 -0.001 5.389 1.00 0.00 C ATOM 0 HA PRO A 60 2.019 -2.359 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.864 -3.160 5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.221 -2.269 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.094 -1.325 7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.657 -0.605 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.120 0.271 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.694 0.917 5.338 1.00 0.00 H new ATOM 860 N ILE A 61 0.380 -4.174 3.573 1.00 0.00 N ATOM 861 CA ILE A 61 -0.704 -5.130 3.426 1.00 0.00 C ATOM 862 C ILE A 61 -0.424 -6.351 4.304 1.00 0.00 C ATOM 863 O ILE A 61 0.640 -6.960 4.205 1.00 0.00 O ATOM 864 CB ILE A 61 -0.922 -5.469 1.951 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.217 -6.260 1.755 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.290 -6.202 1.371 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.647 -6.255 0.287 1.00 0.00 C ATOM 0 H ILE A 61 1.298 -4.525 3.300 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.643 -4.698 3.772 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.028 -4.535 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.074 -7.287 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.007 -5.829 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.108 -6.431 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.173 -5.569 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.453 -7.129 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.570 -6.824 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.812 -5.229 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.866 -6.709 -0.323 1.00 0.00 H new ATOM 879 N LEU A 62 -1.399 -6.674 5.141 1.00 0.00 N ATOM 880 CA LEU A 62 -1.271 -7.812 6.035 1.00 0.00 C ATOM 881 C LEU A 62 -1.814 -9.062 5.342 1.00 0.00 C ATOM 882 O LEU A 62 -2.967 -9.088 4.913 1.00 0.00 O ATOM 883 CB LEU A 62 -1.938 -7.514 7.379 1.00 0.00 C ATOM 884 CG LEU A 62 -1.190 -6.549 8.301 1.00 0.00 C ATOM 885 CD1 LEU A 62 -2.074 -6.112 9.472 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.131 -7.156 8.776 1.00 0.00 C ATOM 0 H LEU A 62 -2.281 -6.167 5.219 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.222 -8.004 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.930 -7.106 7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.078 -8.456 7.909 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.945 -5.653 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.518 -5.427 10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.963 -5.611 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.371 -6.987 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.642 -6.449 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.068 -8.078 9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.762 -7.375 7.914 1.00 0.00 H new ATOM 898 N SER A 63 -0.958 -10.070 5.254 1.00 0.00 N ATOM 899 CA SER A 63 -1.338 -11.322 4.621 1.00 0.00 C ATOM 900 C SER A 63 -2.521 -11.947 5.364 1.00 0.00 C ATOM 901 O SER A 63 -3.092 -12.936 4.908 1.00 0.00 O ATOM 902 CB SER A 63 -0.160 -12.298 4.580 1.00 0.00 C ATOM 903 OG SER A 63 -0.580 -13.629 4.290 1.00 0.00 O ATOM 0 H SER A 63 -0.003 -10.045 5.610 1.00 0.00 H new ATOM 0 HA SER A 63 -1.635 -11.110 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.556 -11.971 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.358 -12.282 5.539 1.00 0.00 H new ATOM 0 HG SER A 63 -1.559 -13.672 4.295 1.00 0.00 H new ATOM 909 N SER A 64 -2.852 -11.344 6.496 1.00 0.00 N ATOM 910 CA SER A 64 -3.956 -11.829 7.306 1.00 0.00 C ATOM 911 C SER A 64 -5.225 -11.033 6.993 1.00 0.00 C ATOM 912 O SER A 64 -6.308 -11.372 7.468 1.00 0.00 O ATOM 913 CB SER A 64 -3.627 -11.737 8.798 1.00 0.00 C ATOM 914 OG SER A 64 -2.228 -11.846 9.043 1.00 0.00 O ATOM 0 H SER A 64 -2.375 -10.524 6.871 1.00 0.00 H new ATOM 0 HA SER A 64 -4.123 -12.878 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.991 -10.788 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.152 -12.527 9.335 1.00 0.00 H new ATOM 0 HG SER A 64 -2.058 -11.781 10.006 1.00 0.00 H new ATOM 920 N GLY A 65 -5.049 -9.991 6.194 1.00 0.00 N ATOM 921 CA GLY A 65 -6.167 -9.145 5.812 1.00 0.00 C ATOM 922 C GLY A 65 -6.578 -8.227 6.965 1.00 0.00 C ATOM 923 O GLY A 65 -7.761 -7.935 7.139 1.00 0.00 O ATOM 0 H GLY A 65 -4.150 -9.713 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.894 -8.545 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.013 -9.765 5.517 1.00 0.00 H new ATOM 927 N ASP A 66 -5.580 -7.796 7.722 1.00 0.00 N ATOM 928 CA ASP A 66 -5.825 -6.917 8.853 1.00 0.00 C ATOM 929 C ASP A 66 -5.196 -5.551 8.576 1.00 0.00 C ATOM 930 O ASP A 66 -4.858 -5.237 7.435 1.00 0.00 O ATOM 931 CB ASP A 66 -5.197 -7.477 10.131 1.00 0.00 C ATOM 932 CG ASP A 66 -5.848 -8.753 10.666 1.00 0.00 C ATOM 933 OD1 ASP A 66 -6.301 -9.556 9.822 1.00 0.00 O ATOM 934 OD2 ASP A 66 -5.879 -8.898 11.907 1.00 0.00 O ATOM 0 H ASP A 66 -4.600 -8.039 7.575 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.903 -6.833 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.142 -7.677 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.242 -6.712 10.906 1.00 0.00 H new ATOM 939 N VAL A 67 -5.057 -4.772 9.640 1.00 0.00 N ATOM 940 CA VAL A 67 -4.474 -3.445 9.525 1.00 0.00 C ATOM 941 C VAL A 67 -3.104 -3.436 10.206 1.00 0.00 C ATOM 942 O VAL A 67 -2.990 -3.765 11.386 1.00 0.00 O ATOM 943 CB VAL A 67 -5.434 -2.401 10.099 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.710 -1.081 10.368 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.633 -2.190 9.171 1.00 0.00 C ATOM 0 H VAL A 67 -5.338 -5.034 10.585 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.319 -3.184 8.478 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.809 -2.777 11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.415 -0.356 10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.905 -1.247 11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.294 -0.698 9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.300 -1.443 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.284 -1.846 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.171 -3.131 9.051 1.00 0.00 H new ATOM 955 N TYR A 68 -2.098 -3.054 9.433 1.00 0.00 N ATOM 956 CA TYR A 68 -0.740 -2.996 9.946 1.00 0.00 C ATOM 957 C TYR A 68 -0.557 -1.799 10.880 1.00 0.00 C ATOM 958 O TYR A 68 -1.067 -0.712 10.611 1.00 0.00 O ATOM 959 CB TYR A 68 0.166 -2.819 8.725 1.00 0.00 C ATOM 960 CG TYR A 68 1.054 -4.028 8.428 1.00 0.00 C ATOM 961 CD1 TYR A 68 1.917 -4.505 9.395 1.00 0.00 C ATOM 962 CD2 TYR A 68 0.994 -4.641 7.194 1.00 0.00 C ATOM 963 CE1 TYR A 68 2.753 -5.643 9.116 1.00 0.00 C ATOM 964 CE2 TYR A 68 1.831 -5.780 6.915 1.00 0.00 C ATOM 965 CZ TYR A 68 2.669 -6.225 7.890 1.00 0.00 C ATOM 966 OH TYR A 68 3.459 -7.299 7.625 1.00 0.00 O ATOM 0 H TYR A 68 -2.196 -2.782 8.455 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.506 -3.897 10.513 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.454 -2.614 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.799 -1.945 8.879 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.965 -4.024 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.320 -4.267 6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.432 -6.026 9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.794 -6.270 5.953 1.00 0.00 H new ATOM 0 HH TYR A 68 4.166 -7.360 8.301 1.00 0.00 H new ATOM 976 N SER A 69 0.173 -2.037 11.961 1.00 0.00 N ATOM 977 CA SER A 69 0.428 -0.992 12.937 1.00 0.00 C ATOM 978 C SER A 69 1.907 -0.598 12.906 1.00 0.00 C ATOM 979 O SER A 69 2.276 0.393 12.279 1.00 0.00 O ATOM 980 CB SER A 69 0.028 -1.440 14.343 1.00 0.00 C ATOM 981 OG SER A 69 0.619 -2.688 14.694 1.00 0.00 O ATOM 0 H SER A 69 0.596 -2.939 12.182 1.00 0.00 H new ATOM 0 HA SER A 69 -0.179 -0.125 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.329 -0.681 15.065 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.057 -1.523 14.402 1.00 0.00 H new ATOM 0 HG SER A 69 0.341 -2.939 15.600 1.00 0.00 H new ATOM 987 N GLY A 70 2.713 -1.396 13.592 1.00 0.00 N ATOM 988 CA GLY A 70 4.143 -1.143 13.651 1.00 0.00 C ATOM 989 C GLY A 70 4.645 -0.527 12.344 1.00 0.00 C ATOM 990 O GLY A 70 4.085 -0.781 11.279 1.00 0.00 O ATOM 0 H GLY A 70 2.403 -2.217 14.111 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.363 -0.472 14.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.673 -2.075 13.845 1.00 0.00 H new ATOM 994 N GLY A 71 5.696 0.269 12.469 1.00 0.00 N ATOM 995 CA GLY A 71 6.281 0.924 11.311 1.00 0.00 C ATOM 996 C GLY A 71 6.879 -0.101 10.345 1.00 0.00 C ATOM 997 O GLY A 71 7.167 0.221 9.193 1.00 0.00 O ATOM 0 H GLY A 71 6.158 0.476 13.355 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.520 1.512 10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.056 1.619 11.635 1.00 0.00 H new ATOM 1001 N SER A 72 7.048 -1.314 10.852 1.00 0.00 N ATOM 1002 CA SER A 72 7.607 -2.387 10.048 1.00 0.00 C ATOM 1003 C SER A 72 6.525 -3.421 9.730 1.00 0.00 C ATOM 1004 O SER A 72 6.266 -4.320 10.530 1.00 0.00 O ATOM 1005 CB SER A 72 8.784 -3.055 10.763 1.00 0.00 C ATOM 1006 OG SER A 72 8.352 -3.950 11.783 1.00 0.00 O ATOM 0 H SER A 72 6.808 -1.577 11.808 1.00 0.00 H new ATOM 0 HA SER A 72 7.977 -1.959 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.388 -3.598 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.424 -2.289 11.201 1.00 0.00 H new ATOM 0 HG SER A 72 7.755 -4.624 11.396 1.00 0.00 H new ATOM 1012 N PRO A 73 5.906 -3.255 8.530 1.00 0.00 N ATOM 1013 CA PRO A 73 4.857 -4.163 8.097 1.00 0.00 C ATOM 1014 C PRO A 73 5.444 -5.503 7.648 1.00 0.00 C ATOM 1015 O PRO A 73 5.529 -6.443 8.438 1.00 0.00 O ATOM 1016 CB PRO A 73 4.136 -3.426 6.981 1.00 0.00 C ATOM 1017 CG PRO A 73 5.089 -2.337 6.516 1.00 0.00 C ATOM 1018 CD PRO A 73 6.187 -2.203 7.559 1.00 0.00 C ATOM 0 HA PRO A 73 4.164 -4.420 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.887 -4.103 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.199 -2.999 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.514 -2.590 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.559 -1.392 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.174 -2.329 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.171 -1.218 8.026 1.00 0.00 H new ATOM 1026 N GLY A 74 5.832 -5.548 6.382 1.00 0.00 N ATOM 1027 CA GLY A 74 6.407 -6.758 5.820 1.00 0.00 C ATOM 1028 C GLY A 74 6.624 -6.611 4.312 1.00 0.00 C ATOM 1029 O GLY A 74 6.053 -7.364 3.524 1.00 0.00 O ATOM 0 H GLY A 74 5.760 -4.767 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.357 -6.975 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.748 -7.604 6.016 1.00 0.00 H new ATOM 1033 N ALA A 75 7.448 -5.637 3.956 1.00 0.00 N ATOM 1034 CA ALA A 75 7.746 -5.382 2.557 1.00 0.00 C ATOM 1035 C ALA A 75 6.442 -5.125 1.801 1.00 0.00 C ATOM 1036 O ALA A 75 6.320 -4.130 1.087 1.00 0.00 O ATOM 1037 CB ALA A 75 8.533 -6.562 1.980 1.00 0.00 C ATOM 0 H ALA A 75 7.919 -5.014 4.613 1.00 0.00 H new ATOM 0 HA ALA A 75 8.368 -4.493 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.757 -6.372 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.464 -6.684 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.939 -7.472 2.065 1.00 0.00 H new ATOM 1043 N ASP A 76 5.500 -6.039 1.982 1.00 0.00 N ATOM 1044 CA ASP A 76 4.208 -5.923 1.325 1.00 0.00 C ATOM 1045 C ASP A 76 3.576 -4.578 1.687 1.00 0.00 C ATOM 1046 O ASP A 76 3.442 -4.248 2.865 1.00 0.00 O ATOM 1047 CB ASP A 76 3.258 -7.031 1.782 1.00 0.00 C ATOM 1048 CG ASP A 76 3.879 -8.428 1.854 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.867 -8.648 1.121 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.351 -9.244 2.639 1.00 0.00 O ATOM 0 H ASP A 76 5.605 -6.863 2.574 1.00 0.00 H new ATOM 0 HA ASP A 76 4.367 -6.005 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.869 -6.772 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.407 -7.063 1.101 1.00 0.00 H new ATOM 1055 N ARG A 77 3.203 -3.838 0.653 1.00 0.00 N ATOM 1056 CA ARG A 77 2.587 -2.536 0.848 1.00 0.00 C ATOM 1057 C ARG A 77 1.600 -2.242 -0.284 1.00 0.00 C ATOM 1058 O ARG A 77 1.874 -2.545 -1.445 1.00 0.00 O ATOM 1059 CB ARG A 77 3.643 -1.430 0.896 1.00 0.00 C ATOM 1060 CG ARG A 77 4.823 -1.836 1.781 1.00 0.00 C ATOM 1061 CD ARG A 77 4.753 -1.140 3.142 1.00 0.00 C ATOM 1062 NE ARG A 77 6.110 -0.745 3.579 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.981 -1.576 4.169 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.641 -2.852 4.397 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.191 -1.129 4.533 1.00 0.00 N ATOM 0 H ARG A 77 3.315 -4.115 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 77 2.057 -2.558 1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.997 -1.216 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.196 -0.512 1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.822 -2.917 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.759 -1.580 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.112 -0.260 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.305 -1.807 3.878 1.00 0.00 H new ATOM 0 HE ARG A 77 6.401 0.220 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.719 -3.191 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.304 -3.484 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.449 -0.157 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.854 -1.761 4.982 1.00 0.00 H new ATOM 1079 N VAL A 78 0.475 -1.655 0.094 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.554 -1.315 -0.875 1.00 0.00 C ATOM 1081 C VAL A 78 -0.583 0.201 -1.071 1.00 0.00 C ATOM 1082 O VAL A 78 -0.555 0.957 -0.100 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.901 -1.887 -0.428 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.068 -3.332 -0.902 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.065 -1.784 1.089 1.00 0.00 C ATOM 0 H VAL A 78 0.253 -1.406 1.058 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.331 -1.763 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.688 -1.291 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.034 -3.714 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.018 -3.366 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.271 -3.947 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.031 -2.198 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.268 -2.343 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.013 -0.738 1.390 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.640 0.602 -2.333 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.674 2.016 -2.668 1.00 0.00 C ATOM 1097 C VAL A 79 -2.072 2.383 -3.167 1.00 0.00 C ATOM 1098 O VAL A 79 -2.699 1.614 -3.894 1.00 0.00 O ATOM 1099 CB VAL A 79 0.427 2.339 -3.681 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.306 3.781 -4.180 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.812 2.077 -3.088 1.00 0.00 C ATOM 0 H VAL A 79 -0.663 -0.027 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.474 2.624 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 79 0.300 1.677 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.100 3.985 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.663 3.920 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.395 4.466 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.576 2.315 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.954 2.702 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.894 1.027 -2.806 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.522 3.560 -2.757 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.835 4.040 -3.153 1.00 0.00 C ATOM 1113 C PHE A 80 -3.868 5.569 -3.202 1.00 0.00 C ATOM 1114 O PHE A 80 -2.822 6.216 -3.217 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.827 3.553 -2.095 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.629 4.191 -0.718 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.520 3.901 0.013 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.563 5.048 -0.226 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.337 4.492 1.291 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.380 5.640 1.053 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.271 5.350 1.783 1.00 0.00 C ATOM 0 H PHE A 80 -2.000 4.196 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.084 3.666 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.840 3.761 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.739 2.471 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.778 3.221 -0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.444 5.279 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.457 4.260 1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.122 6.320 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.131 5.801 2.754 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.081 6.102 -3.227 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.264 7.543 -3.275 1.00 0.00 C ATOM 1133 C ASN A 81 -6.336 7.950 -2.260 1.00 0.00 C ATOM 1134 O ASN A 81 -6.739 7.145 -1.422 1.00 0.00 O ATOM 1135 CB ASN A 81 -5.730 7.993 -4.660 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.277 7.006 -5.739 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.412 7.287 -6.551 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -5.910 5.837 -5.701 1.00 0.00 N ATOM 0 H ASN A 81 -5.946 5.562 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.307 8.013 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.817 8.077 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.331 8.984 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.680 5.110 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.625 5.667 -4.994 1.00 0.00 H new ATOM 1145 N GLU A 82 -6.767 9.198 -2.372 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.784 9.721 -1.475 1.00 0.00 C ATOM 1147 C GLU A 82 -9.179 9.467 -2.050 1.00 0.00 C ATOM 1148 O GLU A 82 -10.147 10.109 -1.645 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.564 11.211 -1.207 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.040 11.591 0.197 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.243 13.103 0.315 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -7.387 13.834 -0.225 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -9.252 13.492 0.944 1.00 0.00 O ATOM 0 H GLU A 82 -6.431 9.862 -3.070 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.705 9.199 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.506 11.451 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.101 11.801 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.975 11.076 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.309 11.260 0.935 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.238 8.530 -2.986 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.498 8.184 -3.620 1.00 0.00 C ATOM 1162 C ASN A 83 -11.009 6.863 -3.041 1.00 0.00 C ATOM 1163 O ASN A 83 -12.213 6.606 -3.042 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.324 8.004 -5.129 1.00 0.00 C ATOM 1165 CG ASN A 83 -8.843 7.960 -5.508 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.194 8.975 -5.703 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.345 6.730 -5.603 1.00 0.00 N ATOM 0 H ASN A 83 -8.433 8.000 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.204 8.994 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.812 7.083 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.814 8.823 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.365 6.594 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.943 5.923 -5.427 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.070 6.061 -2.561 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.411 4.773 -1.981 1.00 0.00 C ATOM 1176 C ASN A 84 -9.987 3.659 -2.940 1.00 0.00 C ATOM 1177 O ASN A 84 -10.483 2.537 -2.852 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.919 4.653 -1.754 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.638 4.246 -3.043 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.715 3.676 -3.029 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -11.982 4.571 -4.152 1.00 0.00 N ATOM 0 H ASN A 84 -9.073 6.278 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.895 4.686 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.115 3.916 -0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.314 5.605 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.378 4.343 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.083 5.048 -4.091 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.073 4.007 -3.835 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.577 3.050 -4.809 1.00 0.00 C ATOM 1190 C GLN A 85 -7.224 2.493 -4.363 1.00 0.00 C ATOM 1191 O GLN A 85 -6.728 2.839 -3.293 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.480 3.683 -6.198 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.857 4.125 -6.698 1.00 0.00 C ATOM 1194 CD GLN A 85 -9.735 4.962 -7.973 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.273 4.632 -9.016 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -8.998 6.060 -7.830 1.00 0.00 N ATOM 0 H GLN A 85 -8.663 4.938 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.285 2.223 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.809 4.541 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.048 2.968 -6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.476 3.249 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.360 4.706 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.576 6.277 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.855 6.685 -8.623 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.666 1.637 -5.208 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.379 1.028 -4.915 1.00 0.00 C ATOM 1207 C LEU A 86 -4.468 1.159 -6.136 1.00 0.00 C ATOM 1208 O LEU A 86 -4.872 0.845 -7.254 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.565 -0.414 -4.438 1.00 0.00 C ATOM 1210 CG LEU A 86 -4.302 -1.127 -3.951 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.377 -1.409 -2.449 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -4.044 -2.399 -4.760 1.00 0.00 C ATOM 0 H LEU A 86 -7.081 1.351 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.888 1.550 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.295 -0.417 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.993 -0.994 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.452 -0.464 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.467 -1.916 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.479 -0.469 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.239 -2.043 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.141 -2.886 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.891 -3.077 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.916 -2.142 -5.811 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.254 1.626 -5.881 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.281 1.802 -6.947 1.00 0.00 C ATOM 1226 C ALA A 87 -1.751 0.434 -7.380 1.00 0.00 C ATOM 1227 O ALA A 87 -1.461 0.221 -8.557 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.166 2.735 -6.471 1.00 0.00 C ATOM 0 H ALA A 87 -2.922 1.888 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.745 2.266 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.436 2.867 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.591 3.703 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.675 2.301 -5.600 1.00 0.00 H new ATOM 1234 N GLY A 88 -1.642 -0.458 -6.406 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.152 -1.800 -6.672 1.00 0.00 C ATOM 1236 C GLY A 88 -0.672 -2.474 -5.386 1.00 0.00 C ATOM 1237 O GLY A 88 -1.152 -2.156 -4.298 1.00 0.00 O ATOM 0 H GLY A 88 -1.885 -0.278 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.943 -2.397 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.334 -1.756 -7.391 1.00 0.00 H new ATOM 1241 N VAL A 89 0.270 -3.392 -5.551 1.00 0.00 N ATOM 1242 CA VAL A 89 0.819 -4.112 -4.416 1.00 0.00 C ATOM 1243 C VAL A 89 2.346 -4.112 -4.509 1.00 0.00 C ATOM 1244 O VAL A 89 2.934 -4.989 -5.141 1.00 0.00 O ATOM 1245 CB VAL A 89 0.225 -5.521 -4.353 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.983 -6.392 -3.349 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.267 -5.472 -4.018 1.00 0.00 C ATOM 0 H VAL A 89 0.666 -3.653 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 89 0.549 -3.617 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 89 0.333 -5.974 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.540 -7.388 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.028 -6.467 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.921 -5.943 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.665 -6.486 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.407 -4.990 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.794 -4.905 -4.785 1.00 0.00 H new ATOM 1257 N ILE A 90 2.946 -3.119 -3.868 1.00 0.00 N ATOM 1258 CA ILE A 90 4.394 -2.993 -3.870 1.00 0.00 C ATOM 1259 C ILE A 90 4.979 -3.872 -2.764 1.00 0.00 C ATOM 1260 O ILE A 90 4.264 -4.291 -1.855 1.00 0.00 O ATOM 1261 CB ILE A 90 4.803 -1.522 -3.770 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.526 -0.971 -2.369 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.125 -0.687 -4.858 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.291 0.540 -2.412 1.00 0.00 C ATOM 0 H ILE A 90 2.456 -2.394 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 90 4.807 -3.351 -4.813 1.00 0.00 H new ATOM 0 HB ILE A 90 5.878 -1.455 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.653 -1.467 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.368 -1.193 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.434 0.354 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.415 -1.063 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.043 -0.756 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.096 0.907 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.175 1.034 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.433 0.757 -3.049 1.00 0.00 H new ATOM 1276 N THR A 91 6.275 -4.125 -2.876 1.00 0.00 N ATOM 1277 CA THR A 91 6.965 -4.947 -1.896 1.00 0.00 C ATOM 1278 C THR A 91 8.455 -4.600 -1.864 1.00 0.00 C ATOM 1279 O THR A 91 9.058 -4.339 -2.905 1.00 0.00 O ATOM 1280 CB THR A 91 6.689 -6.414 -2.232 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.830 -7.105 -1.730 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.723 -6.686 -3.737 1.00 0.00 C ATOM 0 H THR A 91 6.865 -3.775 -3.631 1.00 0.00 H new ATOM 0 HA THR A 91 6.597 -4.755 -0.888 1.00 0.00 H new ATOM 0 HB THR A 91 5.716 -6.701 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.734 -8.065 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.521 -7.741 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.965 -6.080 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.707 -6.431 -4.131 1.00 0.00 H new ATOM 1290 N HIS A 92 9.005 -4.607 -0.659 1.00 0.00 N ATOM 1291 CA HIS A 92 10.413 -4.296 -0.478 1.00 0.00 C ATOM 1292 C HIS A 92 11.263 -5.270 -1.296 1.00 0.00 C ATOM 1293 O HIS A 92 12.412 -5.539 -0.950 1.00 0.00 O ATOM 1294 CB HIS A 92 10.782 -4.292 1.007 1.00 0.00 C ATOM 1295 CG HIS A 92 10.433 -3.009 1.722 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.161 -2.526 2.796 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.426 -2.113 1.506 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.609 -1.392 3.200 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.534 -1.138 2.400 1.00 0.00 N ATOM 0 H HIS A 92 8.502 -4.823 0.201 1.00 0.00 H new ATOM 0 HA HIS A 92 10.617 -3.291 -0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.273 -5.121 1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.853 -4.471 1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.670 -2.185 0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.950 -0.776 4.019 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.915 -0.331 2.476 1.00 0.00 H new ATOM 1308 N THR A 93 10.666 -5.772 -2.367 1.00 0.00 N ATOM 1309 CA THR A 93 11.353 -6.711 -3.238 1.00 0.00 C ATOM 1310 C THR A 93 12.052 -5.966 -4.377 1.00 0.00 C ATOM 1311 O THR A 93 11.821 -4.775 -4.580 1.00 0.00 O ATOM 1312 CB THR A 93 10.331 -7.742 -3.721 1.00 0.00 C ATOM 1313 OG1 THR A 93 10.176 -8.623 -2.612 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.885 -8.637 -4.833 1.00 0.00 C ATOM 0 H THR A 93 9.713 -5.546 -2.652 1.00 0.00 H new ATOM 0 HA THR A 93 12.143 -7.241 -2.706 1.00 0.00 H new ATOM 0 HB THR A 93 9.438 -7.229 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.528 -9.323 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.121 -9.351 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.171 -8.022 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.758 -9.176 -4.465 1.00 0.00 H new ATOM 1322 N GLY A 94 12.892 -6.700 -5.092 1.00 0.00 N ATOM 1323 CA GLY A 94 13.627 -6.125 -6.207 1.00 0.00 C ATOM 1324 C GLY A 94 13.405 -4.613 -6.286 1.00 0.00 C ATOM 1325 O GLY A 94 12.853 -4.113 -7.265 1.00 0.00 O ATOM 0 H GLY A 94 13.080 -7.688 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.691 -6.335 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.307 -6.593 -7.138 1.00 0.00 H new ATOM 1329 N ALA A 95 13.848 -3.927 -5.243 1.00 0.00 N ATOM 1330 CA ALA A 95 13.705 -2.482 -5.182 1.00 0.00 C ATOM 1331 C ALA A 95 15.021 -1.863 -4.703 1.00 0.00 C ATOM 1332 O ALA A 95 15.094 -1.333 -3.596 1.00 0.00 O ATOM 1333 CB ALA A 95 12.527 -2.122 -4.274 1.00 0.00 C ATOM 0 H ALA A 95 14.306 -4.345 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 95 13.490 -2.076 -6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.420 -1.038 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.612 -2.560 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.708 -2.511 -3.272 1.00 0.00 H new ATOM 1339 N SER A 96 16.026 -1.953 -5.561 1.00 0.00 N ATOM 1340 CA SER A 96 17.334 -1.408 -5.241 1.00 0.00 C ATOM 1341 C SER A 96 17.216 0.081 -4.914 1.00 0.00 C ATOM 1342 O SER A 96 18.153 0.683 -4.390 1.00 0.00 O ATOM 1343 CB SER A 96 18.318 -1.623 -6.393 1.00 0.00 C ATOM 1344 OG SER A 96 19.661 -1.344 -6.006 1.00 0.00 O ATOM 0 H SER A 96 15.961 -2.395 -6.478 1.00 0.00 H new ATOM 0 HA SER A 96 17.719 -1.935 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.248 -2.653 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.041 -0.983 -7.231 1.00 0.00 H new ATOM 0 HG SER A 96 19.661 -0.709 -5.259 1.00 0.00 H new ATOM 1350 N GLY A 97 16.056 0.634 -5.236 1.00 0.00 N ATOM 1351 CA GLY A 97 15.803 2.043 -4.984 1.00 0.00 C ATOM 1352 C GLY A 97 14.692 2.223 -3.947 1.00 0.00 C ATOM 1353 O GLY A 97 14.967 2.372 -2.757 1.00 0.00 O ATOM 0 H GLY A 97 15.281 0.132 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.716 2.523 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.522 2.538 -5.914 1.00 0.00 H new ATOM 1357 N ASN A 98 13.461 2.204 -4.437 1.00 0.00 N ATOM 1358 CA ASN A 98 12.308 2.363 -3.568 1.00 0.00 C ATOM 1359 C ASN A 98 11.829 0.986 -3.106 1.00 0.00 C ATOM 1360 O ASN A 98 10.877 0.436 -3.661 1.00 0.00 O ATOM 1361 CB ASN A 98 11.152 3.042 -4.306 1.00 0.00 C ATOM 1362 CG ASN A 98 10.160 3.663 -3.319 1.00 0.00 C ATOM 1363 OD1 ASN A 98 9.303 4.453 -3.675 1.00 0.00 O ATOM 1364 ND2 ASN A 98 10.326 3.261 -2.062 1.00 0.00 N ATOM 0 H ASN A 98 13.237 2.081 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 98 12.607 2.979 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.543 3.814 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.638 2.313 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.715 3.618 -1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.065 2.596 -1.833 1.00 0.00 H new ATOM 1371 N ASN A 99 12.508 0.466 -2.094 1.00 0.00 N ATOM 1372 CA ASN A 99 12.164 -0.837 -1.552 1.00 0.00 C ATOM 1373 C ASN A 99 10.682 -1.115 -1.805 1.00 0.00 C ATOM 1374 O ASN A 99 9.939 -1.437 -0.879 1.00 0.00 O ATOM 1375 CB ASN A 99 12.402 -0.884 -0.041 1.00 0.00 C ATOM 1376 CG ASN A 99 13.788 -1.448 0.280 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.026 -2.021 1.330 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.686 -1.255 -0.683 1.00 0.00 N ATOM 0 H ASN A 99 13.295 0.924 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 99 12.792 -1.582 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.308 0.118 0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.637 -1.499 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.640 -1.595 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.420 -0.767 -1.538 1.00 0.00 H new ATOM 1385 N PHE A 100 10.295 -0.981 -3.066 1.00 0.00 N ATOM 1386 CA PHE A 100 8.914 -1.213 -3.453 1.00 0.00 C ATOM 1387 C PHE A 100 8.822 -1.653 -4.916 1.00 0.00 C ATOM 1388 O PHE A 100 9.569 -1.165 -5.762 1.00 0.00 O ATOM 1389 CB PHE A 100 8.172 0.113 -3.283 1.00 0.00 C ATOM 1390 CG PHE A 100 7.971 0.532 -1.825 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.649 -0.400 -0.889 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.116 1.836 -1.467 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.464 -0.011 0.464 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.929 2.225 -0.114 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.607 1.294 0.823 1.00 0.00 C ATOM 0 H PHE A 100 10.914 -0.715 -3.832 1.00 0.00 H new ATOM 0 HA PHE A 100 8.482 -2.001 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.725 0.896 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.198 0.037 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.534 -1.435 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.373 2.575 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.210 -0.751 1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.043 3.261 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.465 1.590 1.852 1.00 0.00 H new ATOM 1405 N VAL A 101 7.898 -2.569 -5.169 1.00 0.00 N ATOM 1406 CA VAL A 101 7.699 -3.079 -6.515 1.00 0.00 C ATOM 1407 C VAL A 101 6.404 -3.891 -6.561 1.00 0.00 C ATOM 1408 O VAL A 101 6.183 -4.763 -5.721 1.00 0.00 O ATOM 1409 CB VAL A 101 8.925 -3.882 -6.957 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.076 -2.953 -7.350 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.360 -4.864 -5.868 1.00 0.00 C ATOM 0 H VAL A 101 7.279 -2.971 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 101 7.593 -2.257 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 101 8.646 -4.461 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.935 -3.549 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.762 -2.313 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.353 -2.335 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.233 -5.421 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.612 -4.314 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.546 -5.558 -5.657 1.00 0.00 H new ATOM 1421 N GLU A 102 5.580 -3.577 -7.550 1.00 0.00 N ATOM 1422 CA GLU A 102 4.312 -4.266 -7.715 1.00 0.00 C ATOM 1423 C GLU A 102 4.516 -5.780 -7.626 1.00 0.00 C ATOM 1424 O GLU A 102 5.149 -6.378 -8.495 1.00 0.00 O ATOM 1425 CB GLU A 102 3.647 -3.880 -9.038 1.00 0.00 C ATOM 1426 CG GLU A 102 4.684 -3.388 -10.050 1.00 0.00 C ATOM 1427 CD GLU A 102 4.161 -3.526 -11.482 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.934 -3.368 -11.655 1.00 0.00 O ATOM 1429 OE2 GLU A 102 5.001 -3.787 -12.369 1.00 0.00 O ATOM 0 H GLU A 102 5.766 -2.854 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 102 3.646 -3.960 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.115 -4.739 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.906 -3.100 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.929 -2.345 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.606 -3.959 -9.939 1.00 0.00 H new ATOM 1436 N CYS A 103 3.968 -6.357 -6.566 1.00 0.00 N ATOM 1437 CA CYS A 103 4.081 -7.790 -6.352 1.00 0.00 C ATOM 1438 C CYS A 103 3.592 -8.505 -7.613 1.00 0.00 C ATOM 1439 O CYS A 103 3.363 -7.870 -8.642 1.00 0.00 O ATOM 1440 CB CYS A 103 3.312 -8.238 -5.108 1.00 0.00 C ATOM 1441 SG CYS A 103 3.804 -7.399 -3.558 1.00 0.00 S ATOM 0 H CYS A 103 3.445 -5.858 -5.846 1.00 0.00 H new ATOM 0 HA CYS A 103 5.123 -8.051 -6.169 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.248 -8.068 -5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.447 -9.312 -4.982 1.00 0.00 H new ATOM 1446 N THR A 104 3.448 -9.817 -7.493 1.00 0.00 N ATOM 1447 CA THR A 104 2.990 -10.624 -8.612 1.00 0.00 C ATOM 1448 C THR A 104 1.644 -11.275 -8.284 1.00 0.00 C ATOM 1449 O THR A 104 1.339 -12.359 -8.777 1.00 0.00 O ATOM 1450 CB THR A 104 4.089 -11.636 -8.944 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.222 -12.409 -7.754 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.459 -10.977 -9.115 1.00 0.00 C ATOM 0 H THR A 104 3.640 -10.341 -6.639 1.00 0.00 H new ATOM 0 HA THR A 104 2.813 -10.012 -9.496 1.00 0.00 H new ATOM 0 HB THR A 104 3.826 -12.170 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.135 -11.824 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.203 -11.739 -9.349 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.415 -10.251 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.737 -10.471 -8.191 1.00 0.00 H new TER 1460 THR A 104