USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 917 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 11 ASN : amide:sc= 0.237 K(o=0.49,f=-0.35) USER MOD Set 1.2: B 28 LYS NZ :NH3+ 157:sc= 0.252 (180deg=0.0596) USER MOD Set 2.1: B 23 ASN : amide:sc= -4.03! C(o=-12!,f=-20!) USER MOD Set 2.2: B 26 GLN : amide:sc= -5.07! C(o=-12!,f=-19!) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.48 K(o=-12,f=-15!) USER MOD Set 3.1: A 28 ASN : amide:sc= -6.25! C(o=-6.3!,f=-11!) USER MOD Set 3.2: B 10 SER OG : rot -170:sc= -0.0795 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.77 K(o=-3.4,f=-5.1) USER MOD Set 4.2: A 55 GLN : amide:sc= -1.58 K(o=-3.4,f=-6!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -1.72! USER MOD Set 5.2: A 18 HIS : no HD1:sc= -24.6! C(o=-26!,f=-24!) USER MOD Single : A 1 VAL N :NH3+ -156:sc= -0.0782 (180deg=-0.661) USER MOD Single : A 3 ASN : amide:sc= -1.55 K(o=-1.5,f=-6.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.894 K(o=-0.89,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.04) USER MOD Single : A 9 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 10 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.2!) USER MOD Single : A 21 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.9) USER MOD Single : A 26 GLN : amide:sc= -0.36 K(o=-0.36,f=-4.4!) USER MOD Single : A 32 GLN : amide:sc= -0.76 K(o=-0.76,f=-2.1!) USER MOD Single : A 33 SER OG : rot 12:sc= -0.081 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.304 (180deg=-0.461) USER MOD Single : A 39 SER OG : rot -33:sc= 0.498 USER MOD Single : A 40 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.77) USER MOD Single : A 41 SER OG : rot -95:sc= 0.735 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.21! C(o=-1.2!,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 138:sc= -0.719 (180deg=-1.07) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -4.64! C(o=-4.6!,f=-9.5!) USER MOD Single : B 7 LYS NZ :NH3+ -117:sc= 0.425 (180deg=-0.011) USER MOD Single : B 18 THR OG1 : rot -39:sc= 0.774 USER MOD Single : B 21 ASN : amide:sc= -2.85! C(o=-2.8!,f=-4!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -27:sc= -1.63! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -130:sc= -1.6 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -6.07! C(o=-6.1!,f=-17!) USER MOD Single : B 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.000499) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.295 -13.853 8.534 1.00 0.00 N ATOM 2 CA VAL A 1 -3.804 -14.025 8.487 1.00 0.00 C ATOM 3 C VAL A 1 -3.435 -15.454 8.936 1.00 0.00 C ATOM 4 O VAL A 1 -3.309 -15.734 10.119 1.00 0.00 O ATOM 5 CB VAL A 1 -3.221 -12.948 9.440 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.708 -13.146 9.611 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.469 -11.551 8.859 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.578 -13.095 7.881 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.756 -14.742 8.253 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.585 -13.603 9.501 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.399 -13.899 7.483 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.713 -13.045 10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.315 -12.383 10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.515 -14.133 10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.218 -13.063 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.058 -10.799 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.985 -11.471 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.541 -11.389 8.746 1.00 0.00 H new ATOM 19 N ASP A 2 -3.273 -16.359 7.988 1.00 0.00 N ATOM 20 CA ASP A 2 -2.918 -17.785 8.327 1.00 0.00 C ATOM 21 C ASP A 2 -1.494 -17.885 8.920 1.00 0.00 C ATOM 22 O ASP A 2 -1.252 -18.693 9.801 1.00 0.00 O ATOM 23 CB ASP A 2 -3.039 -18.585 7.006 1.00 0.00 C ATOM 24 CG ASP A 2 -1.940 -18.185 6.006 1.00 0.00 C ATOM 25 OD1 ASP A 2 -2.071 -17.142 5.389 1.00 0.00 O ATOM 26 OD2 ASP A 2 -0.982 -18.932 5.880 1.00 0.00 O ATOM 0 H ASP A 2 -3.372 -16.170 6.991 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.586 -18.186 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.970 -19.652 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.019 -18.411 6.561 1.00 0.00 H new ATOM 31 N ASN A 3 -0.560 -17.069 8.454 1.00 0.00 N ATOM 32 CA ASN A 3 0.841 -17.112 8.994 1.00 0.00 C ATOM 33 C ASN A 3 1.404 -15.681 9.155 1.00 0.00 C ATOM 34 O ASN A 3 0.788 -14.715 8.740 1.00 0.00 O ATOM 35 CB ASN A 3 1.644 -17.958 7.979 1.00 0.00 C ATOM 36 CG ASN A 3 2.156 -17.107 6.807 1.00 0.00 C ATOM 37 OD1 ASN A 3 3.303 -16.716 6.791 1.00 0.00 O ATOM 38 ND2 ASN A 3 1.356 -16.806 5.819 1.00 0.00 N ATOM 0 H ASN A 3 -0.715 -16.376 7.722 1.00 0.00 H new ATOM 0 HA ASN A 3 0.895 -17.556 9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.488 -18.427 8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.015 -18.762 7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.698 -16.244 5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.390 -17.133 5.828 1.00 0.00 H new ATOM 45 N LYS A 4 2.565 -15.554 9.774 1.00 0.00 N ATOM 46 CA LYS A 4 3.180 -14.189 9.996 1.00 0.00 C ATOM 47 C LYS A 4 3.430 -13.428 8.675 1.00 0.00 C ATOM 48 O LYS A 4 3.118 -12.257 8.583 1.00 0.00 O ATOM 49 CB LYS A 4 4.505 -14.418 10.768 1.00 0.00 C ATOM 50 CG LYS A 4 5.457 -15.370 10.023 1.00 0.00 C ATOM 51 CD LYS A 4 6.630 -15.735 10.938 1.00 0.00 C ATOM 52 CE LYS A 4 7.353 -16.973 10.386 1.00 0.00 C ATOM 53 NZ LYS A 4 8.799 -16.774 10.711 1.00 0.00 N ATOM 0 H LYS A 4 3.114 -16.334 10.135 1.00 0.00 H new ATOM 0 HA LYS A 4 2.493 -13.562 10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.002 -13.461 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.283 -14.827 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.924 -16.271 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.825 -14.896 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.324 -14.897 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.268 -15.933 11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.971 -17.886 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.203 -17.067 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.348 -17.585 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.140 -15.903 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.916 -16.696 11.741 1.00 0.00 H new ATOM 67 N PHE A 5 3.976 -14.076 7.664 1.00 0.00 N ATOM 68 CA PHE A 5 4.251 -13.381 6.358 1.00 0.00 C ATOM 69 C PHE A 5 2.965 -12.955 5.628 1.00 0.00 C ATOM 70 O PHE A 5 3.015 -12.062 4.798 1.00 0.00 O ATOM 71 CB PHE A 5 5.061 -14.369 5.503 1.00 0.00 C ATOM 72 CG PHE A 5 6.484 -14.405 6.009 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.431 -13.513 5.491 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.853 -15.314 7.006 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.745 -13.534 5.973 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.164 -15.335 7.483 1.00 0.00 C ATOM 77 CZ PHE A 5 9.109 -14.448 6.968 1.00 0.00 C ATOM 0 H PHE A 5 4.243 -15.060 7.689 1.00 0.00 H new ATOM 0 HA PHE A 5 4.800 -12.457 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.618 -15.363 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.041 -14.065 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.148 -12.810 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.122 -16.001 7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.477 -12.846 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.447 -16.039 8.252 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.124 -14.467 7.338 1.00 0.00 H new ATOM 87 N ASN A 6 1.821 -13.569 5.920 1.00 0.00 N ATOM 88 CA ASN A 6 0.546 -13.171 5.223 1.00 0.00 C ATOM 89 C ASN A 6 0.292 -11.662 5.407 1.00 0.00 C ATOM 90 O ASN A 6 0.108 -10.954 4.433 1.00 0.00 O ATOM 91 CB ASN A 6 -0.574 -13.994 5.882 1.00 0.00 C ATOM 92 CG ASN A 6 -1.888 -13.774 5.123 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.720 -12.994 5.543 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.114 -14.426 4.014 1.00 0.00 N ATOM 0 H ASN A 6 1.723 -14.319 6.604 1.00 0.00 H new ATOM 0 HA ASN A 6 0.595 -13.362 4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.312 -15.052 5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.691 -13.699 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.986 -14.279 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.419 -15.082 3.657 1.00 0.00 H new ATOM 101 N LYS A 7 0.324 -11.162 6.634 1.00 0.00 N ATOM 102 CA LYS A 7 0.121 -9.690 6.848 1.00 0.00 C ATOM 103 C LYS A 7 1.442 -8.915 6.722 1.00 0.00 C ATOM 104 O LYS A 7 1.407 -7.743 6.460 1.00 0.00 O ATOM 105 CB LYS A 7 -0.482 -9.504 8.237 1.00 0.00 C ATOM 106 CG LYS A 7 -0.472 -8.020 8.617 1.00 0.00 C ATOM 107 CD LYS A 7 -0.870 -7.884 10.069 1.00 0.00 C ATOM 108 CE LYS A 7 -0.588 -6.455 10.562 1.00 0.00 C ATOM 109 NZ LYS A 7 0.861 -6.429 10.932 1.00 0.00 N ATOM 0 H LYS A 7 0.480 -11.707 7.482 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.548 -9.295 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.503 -9.885 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.085 -10.079 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.519 -7.596 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.163 -7.464 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.928 -8.116 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.317 -8.602 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.806 -5.723 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.215 -6.206 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.265 -5.502 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.961 -6.593 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.366 -7.174 10.410 1.00 0.00 H new ATOM 123 N GLU A 8 2.601 -9.535 6.881 1.00 0.00 N ATOM 124 CA GLU A 8 3.884 -8.757 6.713 1.00 0.00 C ATOM 125 C GLU A 8 3.882 -8.141 5.320 1.00 0.00 C ATOM 126 O GLU A 8 4.266 -7.008 5.153 1.00 0.00 O ATOM 127 CB GLU A 8 5.049 -9.734 6.853 1.00 0.00 C ATOM 128 CG GLU A 8 5.272 -10.078 8.327 1.00 0.00 C ATOM 129 CD GLU A 8 5.638 -8.815 9.125 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.659 -8.212 8.820 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.896 -8.479 10.033 1.00 0.00 O ATOM 0 H GLU A 8 2.712 -10.522 7.114 1.00 0.00 H new ATOM 0 HA GLU A 8 3.976 -7.969 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.842 -10.642 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.954 -9.295 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.371 -10.529 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.069 -10.816 8.418 1.00 0.00 H new ATOM 138 N GLN A 9 3.373 -8.868 4.339 1.00 0.00 N ATOM 139 CA GLN A 9 3.245 -8.305 2.968 1.00 0.00 C ATOM 140 C GLN A 9 2.212 -7.163 3.016 1.00 0.00 C ATOM 141 O GLN A 9 2.397 -6.134 2.421 1.00 0.00 O ATOM 142 CB GLN A 9 2.729 -9.437 2.074 1.00 0.00 C ATOM 143 CG GLN A 9 3.756 -10.561 1.940 1.00 0.00 C ATOM 144 CD GLN A 9 3.122 -11.711 1.154 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.608 -12.646 1.737 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.127 -11.681 -0.153 1.00 0.00 N ATOM 0 H GLN A 9 3.044 -9.828 4.442 1.00 0.00 H new ATOM 0 HA GLN A 9 4.191 -7.919 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.804 -9.836 2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.491 -9.042 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.648 -10.199 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.071 -10.905 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.558 -10.897 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.700 -12.441 -0.682 1.00 0.00 H new ATOM 155 N GLN A 10 1.142 -7.355 3.771 1.00 0.00 N ATOM 156 CA GLN A 10 0.071 -6.305 3.948 1.00 0.00 C ATOM 157 C GLN A 10 0.644 -5.067 4.656 1.00 0.00 C ATOM 158 O GLN A 10 0.458 -3.950 4.211 1.00 0.00 O ATOM 159 CB GLN A 10 -0.965 -6.976 4.862 1.00 0.00 C ATOM 160 CG GLN A 10 -2.343 -6.986 4.203 1.00 0.00 C ATOM 161 CD GLN A 10 -2.579 -8.319 3.466 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.924 -9.306 3.730 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.505 -8.402 2.556 1.00 0.00 N ATOM 0 H GLN A 10 0.964 -8.218 4.284 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.342 -5.974 2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.655 -7.997 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.015 -6.446 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.115 -6.840 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.423 -6.156 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.065 -7.582 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.671 -9.287 2.077 1.00 0.00 H new ATOM 172 N ASN A 11 1.344 -5.282 5.753 1.00 0.00 N ATOM 173 CA ASN A 11 1.959 -4.160 6.522 1.00 0.00 C ATOM 174 C ASN A 11 3.076 -3.524 5.694 1.00 0.00 C ATOM 175 O ASN A 11 3.156 -2.322 5.594 1.00 0.00 O ATOM 176 CB ASN A 11 2.532 -4.799 7.797 1.00 0.00 C ATOM 177 CG ASN A 11 2.863 -3.706 8.819 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.998 -3.259 9.544 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.085 -3.248 8.902 1.00 0.00 N ATOM 0 H ASN A 11 1.514 -6.207 6.148 1.00 0.00 H new ATOM 0 HA ASN A 11 1.239 -3.377 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.812 -5.499 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.429 -5.370 7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.311 -2.516 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.813 -3.623 8.293 1.00 0.00 H new ATOM 186 N ALA A 12 3.917 -4.340 5.081 1.00 0.00 N ATOM 187 CA ALA A 12 5.019 -3.803 4.222 1.00 0.00 C ATOM 188 C ALA A 12 4.408 -3.068 3.031 1.00 0.00 C ATOM 189 O ALA A 12 4.840 -1.994 2.689 1.00 0.00 O ATOM 190 CB ALA A 12 5.820 -5.012 3.741 1.00 0.00 C ATOM 0 H ALA A 12 3.881 -5.357 5.144 1.00 0.00 H new ATOM 0 HA ALA A 12 5.657 -3.106 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.641 -4.676 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.222 -5.548 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.170 -5.676 3.171 1.00 0.00 H new ATOM 196 N PHE A 13 3.369 -3.636 2.432 1.00 0.00 N ATOM 197 CA PHE A 13 2.672 -2.963 1.286 1.00 0.00 C ATOM 198 C PHE A 13 2.174 -1.607 1.768 1.00 0.00 C ATOM 199 O PHE A 13 2.534 -0.582 1.222 1.00 0.00 O ATOM 200 CB PHE A 13 1.477 -3.882 0.928 1.00 0.00 C ATOM 201 CG PHE A 13 0.540 -3.191 -0.032 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.037 -2.618 -1.202 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.836 -3.162 0.230 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.168 -2.016 -2.098 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.703 -2.572 -0.678 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.204 -1.999 -1.836 1.00 0.00 C ATOM 0 H PHE A 13 2.979 -4.541 2.695 1.00 0.00 H new ATOM 0 HA PHE A 13 3.317 -2.809 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.844 -4.807 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.939 -4.156 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.097 -2.643 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.222 -3.599 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.551 -1.560 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.765 -2.559 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.879 -1.536 -2.540 1.00 0.00 H new ATOM 216 N TYR A 14 1.375 -1.617 2.815 1.00 0.00 N ATOM 217 CA TYR A 14 0.840 -0.355 3.391 1.00 0.00 C ATOM 218 C TYR A 14 1.988 0.609 3.732 1.00 0.00 C ATOM 219 O TYR A 14 1.987 1.730 3.293 1.00 0.00 O ATOM 220 CB TYR A 14 0.129 -0.791 4.658 1.00 0.00 C ATOM 221 CG TYR A 14 -0.546 0.395 5.290 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.799 0.807 4.840 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.071 1.062 6.351 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.430 1.866 5.439 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.561 2.145 6.954 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.816 2.556 6.505 1.00 0.00 C ATOM 227 OH TYR A 14 -2.446 3.622 7.110 1.00 0.00 O ATOM 0 H TYR A 14 1.072 -2.464 3.295 1.00 0.00 H new ATOM 0 HA TYR A 14 0.181 0.171 2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.607 -1.561 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.843 -1.230 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.273 0.291 4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.039 0.737 6.703 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.405 2.175 5.092 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.081 2.667 7.769 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.877 3.975 7.825 1.00 0.00 H new ATOM 237 N GLU A 15 2.975 0.166 4.490 1.00 0.00 N ATOM 238 CA GLU A 15 4.122 1.070 4.844 1.00 0.00 C ATOM 239 C GLU A 15 4.815 1.569 3.569 1.00 0.00 C ATOM 240 O GLU A 15 5.097 2.740 3.463 1.00 0.00 O ATOM 241 CB GLU A 15 5.068 0.242 5.714 1.00 0.00 C ATOM 242 CG GLU A 15 4.414 -0.040 7.081 1.00 0.00 C ATOM 243 CD GLU A 15 5.184 0.680 8.193 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.131 1.900 8.236 1.00 0.00 O ATOM 245 OE2 GLU A 15 5.812 0.000 8.988 1.00 0.00 O ATOM 0 H GLU A 15 3.033 -0.777 4.875 1.00 0.00 H new ATOM 0 HA GLU A 15 3.789 1.957 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.306 -0.697 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.008 0.776 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.376 0.294 7.072 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.402 -1.113 7.273 1.00 0.00 H new ATOM 252 N ILE A 16 5.031 0.711 2.576 1.00 0.00 N ATOM 253 CA ILE A 16 5.644 1.186 1.276 1.00 0.00 C ATOM 254 C ILE A 16 4.777 2.334 0.714 1.00 0.00 C ATOM 255 O ILE A 16 5.285 3.381 0.342 1.00 0.00 O ATOM 256 CB ILE A 16 5.665 -0.065 0.354 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.989 -0.801 0.600 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.550 0.310 -1.133 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.779 -2.305 0.520 1.00 0.00 C ATOM 0 H ILE A 16 4.811 -0.284 2.612 1.00 0.00 H new ATOM 0 HA ILE A 16 6.653 1.584 1.380 1.00 0.00 H new ATOM 0 HB ILE A 16 4.808 -0.695 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.728 -0.490 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.385 -0.534 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.569 -0.596 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.613 0.841 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.386 0.951 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.726 -2.815 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.056 -2.612 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.404 -2.568 -0.469 1.00 0.00 H new ATOM 271 N LEU A 17 3.474 2.146 0.699 1.00 0.00 N ATOM 272 CA LEU A 17 2.533 3.228 0.216 1.00 0.00 C ATOM 273 C LEU A 17 2.498 4.422 1.204 1.00 0.00 C ATOM 274 O LEU A 17 2.340 5.553 0.800 1.00 0.00 O ATOM 275 CB LEU A 17 1.131 2.600 0.162 1.00 0.00 C ATOM 276 CG LEU A 17 1.069 1.452 -0.853 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.323 0.276 -0.269 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.278 1.856 -2.067 1.00 0.00 C ATOM 0 H LEU A 17 3.015 1.287 1.001 1.00 0.00 H new ATOM 0 HA LEU A 17 2.862 3.600 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.859 2.229 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.399 3.363 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 17 2.099 1.201 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.287 -0.531 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.835 -0.070 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.692 0.580 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.247 1.027 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.737 2.117 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.751 2.717 -2.539 1.00 0.00 H new ATOM 290 N HIS A 18 2.601 4.174 2.498 1.00 0.00 N ATOM 291 CA HIS A 18 2.524 5.288 3.516 1.00 0.00 C ATOM 292 C HIS A 18 3.899 5.912 3.843 1.00 0.00 C ATOM 293 O HIS A 18 3.962 6.843 4.632 1.00 0.00 O ATOM 294 CB HIS A 18 1.895 4.652 4.771 1.00 0.00 C ATOM 295 CG HIS A 18 0.420 4.431 4.535 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.548 5.344 4.928 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.268 3.436 3.892 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.735 4.865 4.502 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.602 3.739 3.859 1.00 0.00 N ATOM 0 H HIS A 18 2.736 3.244 2.895 1.00 0.00 H new ATOM 0 HA HIS A 18 1.933 6.116 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.385 3.705 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.043 5.301 5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.176 2.545 3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.682 5.356 4.673 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.343 3.193 3.420 1.00 0.00 H new ATOM 307 N LEU A 19 4.994 5.446 3.251 1.00 0.00 N ATOM 308 CA LEU A 19 6.331 6.069 3.554 1.00 0.00 C ATOM 309 C LEU A 19 6.378 7.479 2.925 1.00 0.00 C ATOM 310 O LEU A 19 6.123 7.626 1.739 1.00 0.00 O ATOM 311 CB LEU A 19 7.402 5.146 2.939 1.00 0.00 C ATOM 312 CG LEU A 19 7.795 4.037 3.938 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.705 3.018 3.247 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.533 4.636 5.144 1.00 0.00 C ATOM 0 H LEU A 19 5.014 4.675 2.584 1.00 0.00 H new ATOM 0 HA LEU A 19 6.504 6.175 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.022 4.699 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.282 5.729 2.669 1.00 0.00 H new ATOM 0 HG LEU A 19 6.886 3.546 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.980 2.237 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.178 2.573 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.606 3.518 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.802 3.840 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.437 5.142 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.885 5.353 5.648 1.00 0.00 H new ATOM 326 N PRO A 20 6.664 8.478 3.750 1.00 0.00 N ATOM 327 CA PRO A 20 6.699 9.902 3.280 1.00 0.00 C ATOM 328 C PRO A 20 7.780 10.190 2.214 1.00 0.00 C ATOM 329 O PRO A 20 7.687 11.195 1.529 1.00 0.00 O ATOM 330 CB PRO A 20 6.964 10.695 4.562 1.00 0.00 C ATOM 331 CG PRO A 20 7.622 9.722 5.479 1.00 0.00 C ATOM 332 CD PRO A 20 6.987 8.392 5.188 1.00 0.00 C ATOM 0 HA PRO A 20 5.770 10.170 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.606 11.555 4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.037 11.078 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.698 9.688 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.475 10.006 6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.667 7.567 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.094 8.232 5.792 1.00 0.00 H new ATOM 340 N ASN A 21 8.792 9.349 2.054 1.00 0.00 N ATOM 341 CA ASN A 21 9.840 9.632 1.017 1.00 0.00 C ATOM 342 C ASN A 21 9.861 8.552 -0.086 1.00 0.00 C ATOM 343 O ASN A 21 10.774 8.526 -0.897 1.00 0.00 O ATOM 344 CB ASN A 21 11.163 9.690 1.792 1.00 0.00 C ATOM 345 CG ASN A 21 11.170 10.924 2.706 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.122 12.041 2.234 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.220 10.770 4.001 1.00 0.00 N ATOM 0 H ASN A 21 8.930 8.493 2.591 1.00 0.00 H new ATOM 0 HA ASN A 21 9.645 10.565 0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.289 8.784 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.002 9.735 1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.219 11.587 4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.260 9.833 4.402 1.00 0.00 H new ATOM 354 N LEU A 22 8.847 7.694 -0.161 1.00 0.00 N ATOM 355 CA LEU A 22 8.811 6.667 -1.252 1.00 0.00 C ATOM 356 C LEU A 22 8.033 7.226 -2.444 1.00 0.00 C ATOM 357 O LEU A 22 7.003 7.862 -2.287 1.00 0.00 O ATOM 358 CB LEU A 22 8.108 5.410 -0.692 1.00 0.00 C ATOM 359 CG LEU A 22 9.088 4.483 0.072 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.617 3.035 -0.061 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.502 4.567 -0.499 1.00 0.00 C ATOM 0 H LEU A 22 8.057 7.670 0.484 1.00 0.00 H new ATOM 0 HA LEU A 22 9.817 6.413 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.302 5.714 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.651 4.856 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 22 9.104 4.804 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.303 2.379 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.617 2.937 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.595 2.755 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.161 3.904 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.490 4.266 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.866 5.591 -0.420 1.00 0.00 H new ATOM 373 N ASN A 23 8.527 6.976 -3.630 1.00 0.00 N ATOM 374 CA ASN A 23 7.840 7.471 -4.872 1.00 0.00 C ATOM 375 C ASN A 23 7.277 6.293 -5.666 1.00 0.00 C ATOM 376 O ASN A 23 7.300 5.167 -5.209 1.00 0.00 O ATOM 377 CB ASN A 23 8.879 8.274 -5.698 1.00 0.00 C ATOM 378 CG ASN A 23 10.250 7.573 -5.769 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.961 7.490 -4.785 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.662 7.079 -6.903 1.00 0.00 N ATOM 0 H ASN A 23 9.383 6.447 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 23 6.999 8.117 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.498 8.422 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.003 9.263 -5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.574 6.627 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.072 7.145 -7.732 1.00 0.00 H new ATOM 387 N GLU A 24 6.747 6.548 -6.838 1.00 0.00 N ATOM 388 CA GLU A 24 6.148 5.441 -7.665 1.00 0.00 C ATOM 389 C GLU A 24 7.218 4.407 -8.048 1.00 0.00 C ATOM 390 O GLU A 24 6.970 3.228 -8.003 1.00 0.00 O ATOM 391 CB GLU A 24 5.567 6.114 -8.918 1.00 0.00 C ATOM 392 CG GLU A 24 4.314 6.924 -8.543 1.00 0.00 C ATOM 393 CD GLU A 24 3.123 6.478 -9.400 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.973 6.999 -10.492 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.383 5.619 -8.947 1.00 0.00 O ATOM 0 H GLU A 24 6.701 7.475 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 24 5.379 4.904 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.313 6.769 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.314 5.359 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.084 6.785 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.501 7.988 -8.691 1.00 0.00 H new ATOM 402 N GLU A 25 8.410 4.831 -8.392 1.00 0.00 N ATOM 403 CA GLU A 25 9.479 3.836 -8.753 1.00 0.00 C ATOM 404 C GLU A 25 9.804 2.940 -7.539 1.00 0.00 C ATOM 405 O GLU A 25 9.890 1.732 -7.664 1.00 0.00 O ATOM 406 CB GLU A 25 10.702 4.677 -9.149 1.00 0.00 C ATOM 407 CG GLU A 25 11.812 3.768 -9.692 1.00 0.00 C ATOM 408 CD GLU A 25 13.098 4.581 -9.885 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.688 4.970 -8.886 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.470 4.803 -11.024 1.00 0.00 O ATOM 0 H GLU A 25 8.691 5.810 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 25 9.167 3.175 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.420 5.411 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.066 5.233 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.991 2.944 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.503 3.327 -10.640 1.00 0.00 H new ATOM 417 N GLN A 26 9.972 3.533 -6.371 1.00 0.00 N ATOM 418 CA GLN A 26 10.301 2.733 -5.134 1.00 0.00 C ATOM 419 C GLN A 26 9.066 1.989 -4.598 1.00 0.00 C ATOM 420 O GLN A 26 9.105 0.787 -4.424 1.00 0.00 O ATOM 421 CB GLN A 26 10.814 3.753 -4.094 1.00 0.00 C ATOM 422 CG GLN A 26 11.980 4.585 -4.666 1.00 0.00 C ATOM 423 CD GLN A 26 13.172 3.687 -5.020 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.959 3.340 -4.167 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.344 3.299 -6.252 1.00 0.00 N ATOM 0 H GLN A 26 9.895 4.539 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 26 11.046 1.968 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.001 4.415 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.142 3.229 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.647 5.122 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.288 5.335 -3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.685 3.588 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.138 2.706 -6.494 1.00 0.00 H new ATOM 434 N ARG A 27 7.984 2.695 -4.330 1.00 0.00 N ATOM 435 CA ARG A 27 6.743 2.042 -3.775 1.00 0.00 C ATOM 436 C ARG A 27 6.142 0.988 -4.733 1.00 0.00 C ATOM 437 O ARG A 27 5.794 -0.098 -4.308 1.00 0.00 O ATOM 438 CB ARG A 27 5.724 3.184 -3.601 1.00 0.00 C ATOM 439 CG ARG A 27 4.370 2.631 -3.130 1.00 0.00 C ATOM 440 CD ARG A 27 3.302 3.721 -3.241 1.00 0.00 C ATOM 441 NE ARG A 27 3.066 3.904 -4.710 1.00 0.00 N ATOM 442 CZ ARG A 27 3.099 5.101 -5.254 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.161 5.861 -5.117 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.073 5.533 -5.939 1.00 0.00 N ATOM 0 H ARG A 27 7.907 3.702 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 27 6.984 1.520 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.100 3.907 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.598 3.714 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.088 1.769 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.446 2.286 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.385 3.426 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.639 4.649 -2.779 1.00 0.00 H new ATOM 0 HE ARG A 27 2.877 3.090 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.965 5.524 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.182 6.789 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.249 4.942 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.096 6.461 -6.362 1.00 0.00 H new ATOM 458 N ASN A 28 5.978 1.317 -6.007 1.00 0.00 N ATOM 459 CA ASN A 28 5.348 0.338 -6.975 1.00 0.00 C ATOM 460 C ASN A 28 6.273 -0.867 -7.172 1.00 0.00 C ATOM 461 O ASN A 28 5.814 -1.995 -7.178 1.00 0.00 O ATOM 462 CB ASN A 28 5.145 1.064 -8.317 1.00 0.00 C ATOM 463 CG ASN A 28 4.383 2.395 -8.177 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.931 2.765 -7.110 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.228 3.142 -9.234 1.00 0.00 N ATOM 0 H ASN A 28 6.250 2.212 -6.414 1.00 0.00 H new ATOM 0 HA ASN A 28 4.394 -0.018 -6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.118 1.256 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.600 0.410 -8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.731 4.030 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.604 2.839 -10.132 1.00 0.00 H new ATOM 472 N ALA A 29 7.576 -0.634 -7.291 1.00 0.00 N ATOM 473 CA ALA A 29 8.540 -1.781 -7.435 1.00 0.00 C ATOM 474 C ALA A 29 8.453 -2.668 -6.197 1.00 0.00 C ATOM 475 O ALA A 29 8.522 -3.879 -6.285 1.00 0.00 O ATOM 476 CB ALA A 29 9.914 -1.152 -7.493 1.00 0.00 C ATOM 0 H ALA A 29 8.002 0.293 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 29 8.326 -2.386 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.667 -1.933 -7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.969 -0.477 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.097 -0.592 -6.576 1.00 0.00 H new ATOM 482 N PHE A 30 8.270 -2.054 -5.045 1.00 0.00 N ATOM 483 CA PHE A 30 8.130 -2.827 -3.781 1.00 0.00 C ATOM 484 C PHE A 30 6.891 -3.674 -3.839 1.00 0.00 C ATOM 485 O PHE A 30 6.929 -4.826 -3.511 1.00 0.00 O ATOM 486 CB PHE A 30 8.018 -1.790 -2.673 1.00 0.00 C ATOM 487 CG PHE A 30 9.399 -1.330 -2.267 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.519 -2.156 -2.477 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.559 -0.090 -1.659 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.769 -1.743 -2.080 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.822 0.316 -1.251 1.00 0.00 C ATOM 492 CZ PHE A 30 11.926 -0.519 -1.464 1.00 0.00 C ATOM 0 H PHE A 30 8.212 -1.042 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 30 8.974 -3.496 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.427 -0.940 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.498 -2.215 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.396 -3.118 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.705 0.554 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.627 -2.376 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.953 1.274 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.907 -0.202 -1.144 1.00 0.00 H new ATOM 502 N ILE A 31 5.809 -3.115 -4.304 1.00 0.00 N ATOM 503 CA ILE A 31 4.556 -3.901 -4.443 1.00 0.00 C ATOM 504 C ILE A 31 4.783 -5.046 -5.456 1.00 0.00 C ATOM 505 O ILE A 31 4.184 -6.087 -5.328 1.00 0.00 O ATOM 506 CB ILE A 31 3.507 -2.870 -4.863 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.268 -1.946 -3.665 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.206 -3.552 -5.240 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.644 -0.639 -4.120 1.00 0.00 C ATOM 0 H ILE A 31 5.741 -2.140 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 31 4.225 -4.403 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 31 3.859 -2.311 -5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.614 -2.437 -2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.212 -1.748 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.474 -2.801 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.381 -4.235 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.827 -4.111 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.481 0.006 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.312 -0.142 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.690 -0.841 -4.607 1.00 0.00 H new ATOM 521 N GLN A 32 5.702 -4.891 -6.412 1.00 0.00 N ATOM 522 CA GLN A 32 6.005 -6.022 -7.362 1.00 0.00 C ATOM 523 C GLN A 32 6.805 -7.106 -6.605 1.00 0.00 C ATOM 524 O GLN A 32 6.411 -8.256 -6.568 1.00 0.00 O ATOM 525 CB GLN A 32 6.843 -5.410 -8.497 1.00 0.00 C ATOM 526 CG GLN A 32 5.946 -4.543 -9.381 1.00 0.00 C ATOM 527 CD GLN A 32 6.787 -3.804 -10.427 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.137 -2.658 -10.239 1.00 0.00 O ATOM 529 NE2 GLN A 32 7.127 -4.413 -11.532 1.00 0.00 N ATOM 0 H GLN A 32 6.242 -4.040 -6.566 1.00 0.00 H new ATOM 0 HA GLN A 32 5.104 -6.489 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.653 -4.810 -8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.303 -6.200 -9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.201 -5.165 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.403 -3.824 -8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.835 -5.377 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.685 -3.925 -12.233 1.00 0.00 H new ATOM 538 N SER A 33 7.899 -6.723 -5.961 1.00 0.00 N ATOM 539 CA SER A 33 8.728 -7.697 -5.148 1.00 0.00 C ATOM 540 C SER A 33 7.932 -8.238 -3.937 1.00 0.00 C ATOM 541 O SER A 33 8.168 -9.337 -3.477 1.00 0.00 O ATOM 542 CB SER A 33 9.954 -6.897 -4.683 1.00 0.00 C ATOM 543 OG SER A 33 9.538 -5.668 -4.102 1.00 0.00 O ATOM 0 H SER A 33 8.256 -5.767 -5.964 1.00 0.00 H new ATOM 0 HA SER A 33 9.010 -8.570 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.524 -7.478 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.615 -6.704 -5.528 1.00 0.00 H new ATOM 0 HG SER A 33 8.568 -5.685 -3.960 1.00 0.00 H new ATOM 549 N LEU A 34 7.011 -7.454 -3.425 1.00 0.00 N ATOM 550 CA LEU A 34 6.184 -7.860 -2.239 1.00 0.00 C ATOM 551 C LEU A 34 5.025 -8.795 -2.657 1.00 0.00 C ATOM 552 O LEU A 34 4.804 -9.812 -2.022 1.00 0.00 O ATOM 553 CB LEU A 34 5.681 -6.508 -1.698 1.00 0.00 C ATOM 554 CG LEU A 34 4.935 -6.655 -0.376 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.911 -6.924 0.749 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.207 -5.353 -0.081 1.00 0.00 C ATOM 0 H LEU A 34 6.792 -6.526 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 34 6.736 -8.432 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.528 -5.836 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.023 -6.047 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 34 4.233 -7.485 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.366 -7.027 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.458 -7.845 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.614 -6.095 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.668 -5.443 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.930 -4.540 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.500 -5.141 -0.883 1.00 0.00 H new ATOM 568 N LYS A 35 4.292 -8.460 -3.714 1.00 0.00 N ATOM 569 CA LYS A 35 3.147 -9.337 -4.171 1.00 0.00 C ATOM 570 C LYS A 35 3.691 -10.656 -4.757 1.00 0.00 C ATOM 571 O LYS A 35 3.092 -11.701 -4.579 1.00 0.00 O ATOM 572 CB LYS A 35 2.351 -8.518 -5.224 1.00 0.00 C ATOM 573 CG LYS A 35 1.119 -7.869 -4.587 1.00 0.00 C ATOM 574 CD LYS A 35 -0.122 -8.155 -5.438 1.00 0.00 C ATOM 575 CE LYS A 35 -0.018 -7.411 -6.778 1.00 0.00 C ATOM 576 NZ LYS A 35 0.023 -8.473 -7.831 1.00 0.00 N ATOM 0 H LYS A 35 4.439 -7.621 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 35 2.493 -9.613 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.992 -7.748 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.043 -9.170 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.975 -8.255 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.269 -6.793 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.215 -9.227 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.020 -7.840 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.871 -6.748 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.878 -6.791 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.111 -8.039 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.944 -8.956 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.735 -9.163 -7.658 1.00 0.00 H new ATOM 590 N ASP A 36 4.828 -10.612 -5.435 1.00 0.00 N ATOM 591 CA ASP A 36 5.427 -11.865 -6.014 1.00 0.00 C ATOM 592 C ASP A 36 6.255 -12.632 -4.957 1.00 0.00 C ATOM 593 O ASP A 36 6.241 -13.852 -4.940 1.00 0.00 O ATOM 594 CB ASP A 36 6.326 -11.404 -7.182 1.00 0.00 C ATOM 595 CG ASP A 36 5.496 -10.738 -8.305 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.363 -11.148 -8.531 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.016 -9.828 -8.930 1.00 0.00 O ATOM 0 H ASP A 36 5.363 -9.761 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 36 4.650 -12.551 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.072 -10.700 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.867 -12.260 -7.586 1.00 0.00 H new ATOM 602 N ASP A 37 6.976 -11.937 -4.085 1.00 0.00 N ATOM 603 CA ASP A 37 7.805 -12.636 -3.039 1.00 0.00 C ATOM 604 C ASP A 37 7.289 -12.318 -1.616 1.00 0.00 C ATOM 605 O ASP A 37 7.535 -11.238 -1.096 1.00 0.00 O ATOM 606 CB ASP A 37 9.239 -12.116 -3.232 1.00 0.00 C ATOM 607 CG ASP A 37 10.235 -13.151 -2.697 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.339 -13.275 -1.488 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.873 -13.802 -3.505 1.00 0.00 O ATOM 0 H ASP A 37 7.022 -10.918 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 37 7.753 -13.719 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.429 -11.925 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.367 -11.168 -2.709 1.00 0.00 H new ATOM 614 N PRO A 38 6.583 -13.274 -1.027 1.00 0.00 N ATOM 615 CA PRO A 38 6.028 -13.098 0.350 1.00 0.00 C ATOM 616 C PRO A 38 7.127 -13.074 1.437 1.00 0.00 C ATOM 617 O PRO A 38 7.034 -12.309 2.378 1.00 0.00 O ATOM 618 CB PRO A 38 5.128 -14.321 0.526 1.00 0.00 C ATOM 619 CG PRO A 38 5.689 -15.347 -0.396 1.00 0.00 C ATOM 620 CD PRO A 38 6.225 -14.595 -1.578 1.00 0.00 C ATOM 0 HA PRO A 38 5.508 -12.146 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.135 -14.671 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.093 -14.089 0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.478 -15.920 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.921 -16.058 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.091 -15.096 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.479 -14.509 -2.368 1.00 0.00 H new ATOM 628 N SER A 39 8.144 -13.916 1.327 1.00 0.00 N ATOM 629 CA SER A 39 9.234 -13.951 2.376 1.00 0.00 C ATOM 630 C SER A 39 10.045 -12.641 2.414 1.00 0.00 C ATOM 631 O SER A 39 10.503 -12.234 3.467 1.00 0.00 O ATOM 632 CB SER A 39 10.132 -15.150 2.015 1.00 0.00 C ATOM 633 OG SER A 39 10.894 -14.864 0.844 1.00 0.00 O ATOM 0 H SER A 39 8.265 -14.577 0.560 1.00 0.00 H new ATOM 0 HA SER A 39 8.805 -14.056 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.801 -15.375 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.518 -16.036 1.850 1.00 0.00 H new ATOM 0 HG SER A 39 10.371 -14.291 0.245 1.00 0.00 H new ATOM 639 N GLN A 40 10.217 -11.972 1.287 1.00 0.00 N ATOM 640 CA GLN A 40 10.990 -10.682 1.278 1.00 0.00 C ATOM 641 C GLN A 40 10.123 -9.500 1.761 1.00 0.00 C ATOM 642 O GLN A 40 10.621 -8.411 1.867 1.00 0.00 O ATOM 643 CB GLN A 40 11.391 -10.450 -0.191 1.00 0.00 C ATOM 644 CG GLN A 40 12.553 -9.445 -0.266 1.00 0.00 C ATOM 645 CD GLN A 40 12.747 -8.949 -1.711 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.274 -9.554 -2.656 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.430 -7.855 -1.923 1.00 0.00 N ATOM 0 H GLN A 40 9.856 -12.265 0.379 1.00 0.00 H new ATOM 0 HA GLN A 40 11.849 -10.744 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.685 -11.394 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.537 -10.074 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.352 -8.599 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.470 -9.914 0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.829 -7.343 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.564 -7.514 -2.875 1.00 0.00 H new ATOM 656 N SER A 41 8.833 -9.691 2.008 1.00 0.00 N ATOM 657 CA SER A 41 7.944 -8.539 2.416 1.00 0.00 C ATOM 658 C SER A 41 8.487 -7.708 3.588 1.00 0.00 C ATOM 659 O SER A 41 8.540 -6.497 3.477 1.00 0.00 O ATOM 660 CB SER A 41 6.587 -9.158 2.770 1.00 0.00 C ATOM 661 OG SER A 41 6.705 -9.980 3.928 1.00 0.00 O ATOM 0 H SER A 41 8.362 -10.593 1.944 1.00 0.00 H new ATOM 0 HA SER A 41 7.880 -7.828 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.856 -8.370 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.220 -9.750 1.932 1.00 0.00 H new ATOM 0 HG SER A 41 6.836 -10.912 3.655 1.00 0.00 H new ATOM 667 N ALA A 42 8.893 -8.304 4.696 1.00 0.00 N ATOM 668 CA ALA A 42 9.440 -7.458 5.817 1.00 0.00 C ATOM 669 C ALA A 42 10.690 -6.724 5.331 1.00 0.00 C ATOM 670 O ALA A 42 10.814 -5.531 5.514 1.00 0.00 O ATOM 671 CB ALA A 42 9.841 -8.404 6.917 1.00 0.00 C ATOM 0 H ALA A 42 8.871 -9.309 4.869 1.00 0.00 H new ATOM 0 HA ALA A 42 8.702 -6.731 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.245 -7.837 7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.969 -8.968 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.600 -9.093 6.546 1.00 0.00 H new ATOM 677 N ASN A 43 11.589 -7.440 4.667 1.00 0.00 N ATOM 678 CA ASN A 43 12.818 -6.801 4.096 1.00 0.00 C ATOM 679 C ASN A 43 12.399 -5.706 3.131 1.00 0.00 C ATOM 680 O ASN A 43 13.024 -4.685 3.067 1.00 0.00 O ATOM 681 CB ASN A 43 13.539 -7.881 3.299 1.00 0.00 C ATOM 682 CG ASN A 43 14.784 -8.364 4.055 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.864 -8.399 3.503 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.681 -8.744 5.303 1.00 0.00 N ATOM 0 H ASN A 43 11.514 -8.444 4.501 1.00 0.00 H new ATOM 0 HA ASN A 43 13.447 -6.383 4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.866 -8.720 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.827 -7.490 2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.506 -9.068 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.775 -8.716 5.771 1.00 0.00 H new ATOM 691 N LEU A 44 11.325 -5.935 2.394 1.00 0.00 N ATOM 692 CA LEU A 44 10.808 -4.921 1.430 1.00 0.00 C ATOM 693 C LEU A 44 10.353 -3.711 2.165 1.00 0.00 C ATOM 694 O LEU A 44 10.667 -2.605 1.770 1.00 0.00 O ATOM 695 CB LEU A 44 9.653 -5.567 0.701 1.00 0.00 C ATOM 696 CG LEU A 44 10.234 -6.468 -0.357 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.094 -7.195 -1.039 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.026 -5.600 -1.335 1.00 0.00 C ATOM 0 H LEU A 44 10.784 -6.799 2.428 1.00 0.00 H new ATOM 0 HA LEU A 44 11.580 -4.608 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.034 -6.138 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.012 -4.809 0.250 1.00 0.00 H new ATOM 0 HG LEU A 44 10.908 -7.213 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.492 -7.854 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.547 -7.786 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.420 -6.469 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.458 -6.230 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.361 -4.866 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.824 -5.085 -0.800 1.00 0.00 H new ATOM 710 N LEU A 45 9.671 -3.895 3.265 1.00 0.00 N ATOM 711 CA LEU A 45 9.301 -2.702 4.041 1.00 0.00 C ATOM 712 C LEU A 45 10.593 -2.109 4.588 1.00 0.00 C ATOM 713 O LEU A 45 10.812 -0.954 4.441 1.00 0.00 O ATOM 714 CB LEU A 45 8.374 -3.149 5.152 1.00 0.00 C ATOM 715 CG LEU A 45 8.222 -2.026 6.184 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.929 -0.692 5.477 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.082 -2.387 7.128 1.00 0.00 C ATOM 0 H LEU A 45 9.368 -4.793 3.641 1.00 0.00 H new ATOM 0 HA LEU A 45 8.787 -1.947 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.399 -3.412 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.770 -4.044 5.631 1.00 0.00 H new ATOM 0 HG LEU A 45 9.147 -1.913 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.823 0.098 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.751 -0.449 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.005 -0.778 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.960 -1.598 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.159 -2.496 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.310 -3.326 7.632 1.00 0.00 H new ATOM 729 N ALA A 46 11.465 -2.911 5.170 1.00 0.00 N ATOM 730 CA ALA A 46 12.773 -2.367 5.691 1.00 0.00 C ATOM 731 C ALA A 46 13.535 -1.616 4.595 1.00 0.00 C ATOM 732 O ALA A 46 14.044 -0.554 4.844 1.00 0.00 O ATOM 733 CB ALA A 46 13.609 -3.582 6.058 1.00 0.00 C ATOM 0 H ALA A 46 11.329 -3.913 5.306 1.00 0.00 H new ATOM 0 HA ALA A 46 12.589 -1.687 6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.575 -3.256 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.091 -4.163 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.762 -4.199 5.173 1.00 0.00 H new ATOM 739 N GLU A 47 13.607 -2.155 3.389 1.00 0.00 N ATOM 740 CA GLU A 47 14.319 -1.430 2.293 1.00 0.00 C ATOM 741 C GLU A 47 13.483 -0.206 1.920 1.00 0.00 C ATOM 742 O GLU A 47 14.032 0.846 1.677 1.00 0.00 O ATOM 743 CB GLU A 47 14.578 -2.404 1.130 1.00 0.00 C ATOM 744 CG GLU A 47 13.325 -3.041 0.592 1.00 0.00 C ATOM 745 CD GLU A 47 13.726 -4.243 -0.276 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.928 -4.059 -1.464 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.843 -5.331 0.269 1.00 0.00 O ATOM 0 H GLU A 47 13.206 -3.055 3.127 1.00 0.00 H new ATOM 0 HA GLU A 47 15.300 -1.066 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.080 -1.870 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.259 -3.186 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.681 -3.363 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.756 -2.321 0.003 1.00 0.00 H new ATOM 754 N ALA A 48 12.158 -0.302 1.957 1.00 0.00 N ATOM 755 CA ALA A 48 11.322 0.903 1.720 1.00 0.00 C ATOM 756 C ALA A 48 11.554 1.912 2.873 1.00 0.00 C ATOM 757 O ALA A 48 11.662 3.100 2.649 1.00 0.00 O ATOM 758 CB ALA A 48 9.903 0.364 1.743 1.00 0.00 C ATOM 0 H ALA A 48 11.640 -1.162 2.141 1.00 0.00 H new ATOM 0 HA ALA A 48 11.547 1.425 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.201 1.181 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.785 -0.383 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.703 -0.094 2.712 1.00 0.00 H new ATOM 764 N LYS A 49 11.696 1.411 4.100 1.00 0.00 N ATOM 765 CA LYS A 49 11.997 2.266 5.299 1.00 0.00 C ATOM 766 C LYS A 49 13.392 2.865 5.096 1.00 0.00 C ATOM 767 O LYS A 49 13.638 4.032 5.325 1.00 0.00 O ATOM 768 CB LYS A 49 12.026 1.281 6.492 1.00 0.00 C ATOM 769 CG LYS A 49 10.630 0.779 6.849 1.00 0.00 C ATOM 770 CD LYS A 49 9.713 1.945 7.167 1.00 0.00 C ATOM 771 CE LYS A 49 8.481 1.413 7.898 1.00 0.00 C ATOM 772 NZ LYS A 49 8.321 2.267 9.114 1.00 0.00 N ATOM 0 H LYS A 49 11.611 0.417 4.313 1.00 0.00 H new ATOM 0 HA LYS A 49 11.277 3.070 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.665 0.433 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.468 1.773 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.221 0.202 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.686 0.108 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.233 2.677 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.418 2.455 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.597 1.469 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.612 0.366 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.492 1.949 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.172 2.189 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.188 3.258 8.827 1.00 0.00 H new ATOM 786 N LYS A 50 14.277 2.023 4.610 1.00 0.00 N ATOM 787 CA LYS A 50 15.682 2.402 4.288 1.00 0.00 C ATOM 788 C LYS A 50 15.660 3.484 3.194 1.00 0.00 C ATOM 789 O LYS A 50 16.412 4.441 3.244 1.00 0.00 O ATOM 790 CB LYS A 50 16.284 1.064 3.800 1.00 0.00 C ATOM 791 CG LYS A 50 17.489 1.238 2.870 1.00 0.00 C ATOM 792 CD LYS A 50 17.546 0.028 1.918 1.00 0.00 C ATOM 793 CE LYS A 50 17.981 -1.229 2.692 1.00 0.00 C ATOM 794 NZ LYS A 50 18.205 -2.278 1.652 1.00 0.00 N ATOM 0 H LYS A 50 14.065 1.044 4.417 1.00 0.00 H new ATOM 0 HA LYS A 50 16.258 2.825 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.585 0.474 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.513 0.496 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.399 2.164 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.409 1.308 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.569 -0.134 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.246 0.226 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.890 -1.043 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.214 -1.538 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.504 -3.163 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.322 -2.441 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.945 -1.962 0.994 1.00 0.00 H new ATOM 808 N LEU A 51 14.769 3.339 2.229 1.00 0.00 N ATOM 809 CA LEU A 51 14.635 4.355 1.136 1.00 0.00 C ATOM 810 C LEU A 51 14.014 5.633 1.690 1.00 0.00 C ATOM 811 O LEU A 51 14.363 6.718 1.283 1.00 0.00 O ATOM 812 CB LEU A 51 13.687 3.723 0.110 1.00 0.00 C ATOM 813 CG LEU A 51 14.448 3.100 -1.067 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.821 2.580 -0.641 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.636 1.933 -1.596 1.00 0.00 C ATOM 0 H LEU A 51 14.126 2.551 2.157 1.00 0.00 H new ATOM 0 HA LEU A 51 15.599 4.615 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.083 2.957 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.999 4.482 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 51 14.593 3.867 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.329 2.146 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.416 3.404 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.699 1.819 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.160 1.475 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.502 1.195 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.661 2.289 -1.929 1.00 0.00 H new ATOM 827 N ASN A 52 13.095 5.497 2.620 1.00 0.00 N ATOM 828 CA ASN A 52 12.429 6.685 3.229 1.00 0.00 C ATOM 829 C ASN A 52 13.476 7.605 3.881 1.00 0.00 C ATOM 830 O ASN A 52 13.427 8.807 3.723 1.00 0.00 O ATOM 831 CB ASN A 52 11.477 6.109 4.281 1.00 0.00 C ATOM 832 CG ASN A 52 10.571 7.215 4.808 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.686 7.668 4.117 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.763 7.678 6.011 1.00 0.00 N ATOM 0 H ASN A 52 12.777 4.599 2.984 1.00 0.00 H new ATOM 0 HA ASN A 52 11.899 7.288 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.877 5.310 3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.046 5.670 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.167 8.423 6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.509 7.295 6.592 1.00 0.00 H new ATOM 841 N ASP A 53 14.427 7.035 4.598 1.00 0.00 N ATOM 842 CA ASP A 53 15.502 7.862 5.255 1.00 0.00 C ATOM 843 C ASP A 53 16.589 8.262 4.237 1.00 0.00 C ATOM 844 O ASP A 53 17.086 9.374 4.267 1.00 0.00 O ATOM 845 CB ASP A 53 16.103 6.976 6.357 1.00 0.00 C ATOM 846 CG ASP A 53 15.027 6.584 7.384 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.407 7.475 7.949 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.847 5.394 7.596 1.00 0.00 O ATOM 0 H ASP A 53 14.504 6.030 4.756 1.00 0.00 H new ATOM 0 HA ASP A 53 15.093 8.788 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.535 6.078 5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.914 7.507 6.856 1.00 0.00 H new ATOM 853 N ALA A 54 16.953 7.362 3.336 1.00 0.00 N ATOM 854 CA ALA A 54 18.004 7.681 2.302 1.00 0.00 C ATOM 855 C ALA A 54 17.484 8.743 1.318 1.00 0.00 C ATOM 856 O ALA A 54 18.188 9.681 0.986 1.00 0.00 O ATOM 857 CB ALA A 54 18.273 6.357 1.575 1.00 0.00 C ATOM 0 H ALA A 54 16.565 6.420 3.275 1.00 0.00 H new ATOM 0 HA ALA A 54 18.910 8.086 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.030 6.511 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.629 5.615 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.352 6.003 1.112 1.00 0.00 H new ATOM 863 N GLN A 55 16.248 8.610 0.882 1.00 0.00 N ATOM 864 CA GLN A 55 15.637 9.615 -0.057 1.00 0.00 C ATOM 865 C GLN A 55 15.018 10.799 0.728 1.00 0.00 C ATOM 866 O GLN A 55 14.483 11.719 0.131 1.00 0.00 O ATOM 867 CB GLN A 55 14.535 8.863 -0.816 1.00 0.00 C ATOM 868 CG GLN A 55 15.124 7.680 -1.605 1.00 0.00 C ATOM 869 CD GLN A 55 13.998 6.963 -2.353 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.063 6.792 -3.552 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.957 6.543 -1.686 1.00 0.00 N ATOM 0 H GLN A 55 15.630 7.840 1.139 1.00 0.00 H new ATOM 0 HA GLN A 55 16.388 10.031 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.786 8.500 -0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.027 9.544 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.876 8.036 -2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.624 6.988 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.905 6.688 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.196 6.070 -2.173 1.00 0.00 H new ATOM 880 N ALA A 56 15.077 10.780 2.060 1.00 0.00 N ATOM 881 CA ALA A 56 14.486 11.895 2.878 1.00 0.00 C ATOM 882 C ALA A 56 15.251 13.207 2.681 1.00 0.00 C ATOM 883 O ALA A 56 16.430 13.200 2.363 1.00 0.00 O ATOM 884 CB ALA A 56 14.601 11.468 4.343 1.00 0.00 C ATOM 0 H ALA A 56 15.511 10.035 2.605 1.00 0.00 H new ATOM 0 HA ALA A 56 13.454 12.070 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.184 12.246 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.051 10.540 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.650 11.314 4.596 1.00 0.00 H new ATOM 890 N PRO A 57 14.545 14.300 2.899 1.00 0.00 N ATOM 891 CA PRO A 57 15.160 15.643 2.768 1.00 0.00 C ATOM 892 C PRO A 57 16.179 15.917 3.899 1.00 0.00 C ATOM 893 O PRO A 57 17.146 16.631 3.696 1.00 0.00 O ATOM 894 CB PRO A 57 13.964 16.592 2.849 1.00 0.00 C ATOM 895 CG PRO A 57 12.922 15.838 3.609 1.00 0.00 C ATOM 896 CD PRO A 57 13.122 14.386 3.284 1.00 0.00 C ATOM 0 HA PRO A 57 15.729 15.757 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.230 17.519 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.608 16.864 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.021 16.013 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.922 16.165 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.901 13.751 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.469 14.065 2.473 1.00 0.00 H new ATOM 904 N LYS A 58 15.969 15.350 5.077 1.00 0.00 N ATOM 905 CA LYS A 58 16.919 15.564 6.217 1.00 0.00 C ATOM 906 C LYS A 58 17.266 14.217 6.889 1.00 0.00 C ATOM 907 O LYS A 58 18.436 14.004 7.158 1.00 0.00 O ATOM 908 CB LYS A 58 16.172 16.492 7.189 1.00 0.00 C ATOM 909 CG LYS A 58 17.104 16.925 8.326 1.00 0.00 C ATOM 910 CD LYS A 58 18.059 18.003 7.808 1.00 0.00 C ATOM 911 CE LYS A 58 19.012 18.437 8.931 1.00 0.00 C ATOM 912 NZ LYS A 58 20.180 17.506 8.851 1.00 0.00 N ATOM 913 OXT LYS A 58 16.360 13.430 7.126 1.00 0.00 O ATOM 0 H LYS A 58 15.175 14.747 5.291 1.00 0.00 H new ATOM 0 HA LYS A 58 17.865 15.998 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.804 17.369 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.302 15.979 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.522 17.309 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.668 16.069 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.630 17.620 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.492 18.861 7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.327 19.472 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.526 18.373 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.869 17.749 9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.854 16.528 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.630 17.593 7.918 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -1.106 -4.058 -23.172 1.00 0.00 N ATOM 929 CA VAL B 1 -1.197 -3.535 -21.760 1.00 0.00 C ATOM 930 C VAL B 1 -0.686 -4.587 -20.757 1.00 0.00 C ATOM 931 O VAL B 1 -0.778 -5.782 -20.997 1.00 0.00 O ATOM 932 CB VAL B 1 -2.689 -3.203 -21.476 1.00 0.00 C ATOM 933 CG1 VAL B 1 -3.117 -1.970 -22.282 1.00 0.00 C ATOM 934 CG2 VAL B 1 -3.602 -4.390 -21.835 1.00 0.00 C ATOM 0 H1 VAL B 1 -1.966 -3.797 -23.695 1.00 0.00 H new ATOM 0 H2 VAL B 1 -0.276 -3.645 -23.642 1.00 0.00 H new ATOM 0 H3 VAL B 1 -1.013 -5.094 -23.153 1.00 0.00 H new ATOM 0 HA VAL B 1 -0.578 -2.645 -21.648 1.00 0.00 H new ATOM 0 HB VAL B 1 -2.788 -2.998 -20.410 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -4.164 -1.746 -22.076 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -2.501 -1.117 -21.997 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -2.991 -2.169 -23.346 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -4.639 -4.128 -21.626 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -3.494 -4.625 -22.894 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -3.320 -5.259 -21.240 1.00 0.00 H new ATOM 946 N ASP B 2 -0.154 -4.144 -19.633 1.00 0.00 N ATOM 947 CA ASP B 2 0.365 -5.105 -18.598 1.00 0.00 C ATOM 948 C ASP B 2 -0.808 -5.773 -17.853 1.00 0.00 C ATOM 949 O ASP B 2 -1.802 -5.134 -17.538 1.00 0.00 O ATOM 950 CB ASP B 2 1.253 -4.273 -17.642 1.00 0.00 C ATOM 951 CG ASP B 2 0.411 -3.295 -16.802 1.00 0.00 C ATOM 952 OD1 ASP B 2 0.054 -2.248 -17.317 1.00 0.00 O ATOM 953 OD2 ASP B 2 0.143 -3.610 -15.655 1.00 0.00 O ATOM 0 H ASP B 2 -0.058 -3.158 -19.390 1.00 0.00 H new ATOM 0 HA ASP B 2 0.943 -5.913 -19.047 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.804 -4.942 -16.981 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.991 -3.717 -18.220 1.00 0.00 H new ATOM 958 N ASN B 3 -0.693 -7.055 -17.578 1.00 0.00 N ATOM 959 CA ASN B 3 -1.786 -7.793 -16.858 1.00 0.00 C ATOM 960 C ASN B 3 -1.310 -8.180 -15.444 1.00 0.00 C ATOM 961 O ASN B 3 -1.256 -9.347 -15.085 1.00 0.00 O ATOM 962 CB ASN B 3 -2.076 -9.033 -17.725 1.00 0.00 C ATOM 963 CG ASN B 3 -2.638 -8.599 -19.090 1.00 0.00 C ATOM 964 OD1 ASN B 3 -2.001 -8.789 -20.105 1.00 0.00 O ATOM 965 ND2 ASN B 3 -3.810 -8.022 -19.156 1.00 0.00 N ATOM 0 H ASN B 3 0.117 -7.625 -17.823 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.686 -7.193 -16.726 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.163 -9.611 -17.865 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -2.790 -9.683 -17.218 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -4.186 -7.733 -20.059 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -4.348 -7.861 -18.304 1.00 0.00 H new ATOM 972 N LYS B 4 -0.960 -7.191 -14.645 1.00 0.00 N ATOM 973 CA LYS B 4 -0.473 -7.452 -13.246 1.00 0.00 C ATOM 974 C LYS B 4 -1.166 -6.503 -12.247 1.00 0.00 C ATOM 975 O LYS B 4 -1.436 -5.351 -12.554 1.00 0.00 O ATOM 976 CB LYS B 4 1.054 -7.226 -13.300 1.00 0.00 C ATOM 977 CG LYS B 4 1.381 -5.785 -13.718 1.00 0.00 C ATOM 978 CD LYS B 4 2.875 -5.654 -14.016 1.00 0.00 C ATOM 979 CE LYS B 4 3.217 -4.182 -14.283 1.00 0.00 C ATOM 980 NZ LYS B 4 4.710 -4.104 -14.247 1.00 0.00 N ATOM 0 H LYS B 4 -0.992 -6.206 -14.906 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.705 -8.460 -12.904 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.491 -7.433 -12.323 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.504 -7.924 -14.005 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.801 -5.513 -14.599 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.098 -5.094 -12.924 1.00 0.00 H new ATOM 0 HD2 LYS B 4 3.459 -6.027 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.139 -6.262 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.831 -3.859 -15.250 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.772 -3.533 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.011 -3.124 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.051 -4.409 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.108 -4.725 -14.981 1.00 0.00 H new ATOM 994 N PHE B 5 -1.476 -6.995 -11.063 1.00 0.00 N ATOM 995 CA PHE B 5 -2.176 -6.157 -10.034 1.00 0.00 C ATOM 996 C PHE B 5 -1.223 -5.270 -9.210 1.00 0.00 C ATOM 997 O PHE B 5 -1.684 -4.402 -8.493 1.00 0.00 O ATOM 998 CB PHE B 5 -2.894 -7.161 -9.129 1.00 0.00 C ATOM 999 CG PHE B 5 -4.169 -7.636 -9.790 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.308 -6.822 -9.776 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.213 -8.888 -10.416 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.487 -7.258 -10.390 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.393 -9.324 -11.027 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.531 -8.509 -11.015 1.00 0.00 C ATOM 0 H PHE B 5 -1.271 -7.949 -10.767 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.854 -5.454 -10.518 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.242 -8.011 -8.926 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.123 -6.698 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.276 -5.857 -9.291 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -3.335 -9.517 -10.427 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.364 -6.628 -10.382 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -5.426 -10.290 -11.508 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.442 -8.845 -11.488 1.00 0.00 H new ATOM 1014 N ASN B 6 0.083 -5.457 -9.304 1.00 0.00 N ATOM 1015 CA ASN B 6 1.030 -4.582 -8.510 1.00 0.00 C ATOM 1016 C ASN B 6 0.910 -3.116 -8.961 1.00 0.00 C ATOM 1017 O ASN B 6 0.981 -2.206 -8.152 1.00 0.00 O ATOM 1018 CB ASN B 6 2.455 -5.136 -8.726 1.00 0.00 C ATOM 1019 CG ASN B 6 2.848 -5.098 -10.211 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.715 -6.082 -10.903 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.334 -3.999 -10.726 1.00 0.00 N ATOM 0 H ASN B 6 0.530 -6.165 -9.886 1.00 0.00 H new ATOM 0 HA ASN B 6 0.786 -4.600 -7.448 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.167 -4.551 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.509 -6.161 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.601 -3.971 -11.710 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.446 -3.169 -10.144 1.00 0.00 H new ATOM 1028 N LYS B 7 0.678 -2.898 -10.241 1.00 0.00 N ATOM 1029 CA LYS B 7 0.486 -1.504 -10.777 1.00 0.00 C ATOM 1030 C LYS B 7 -0.763 -0.891 -10.144 1.00 0.00 C ATOM 1031 O LYS B 7 -0.797 0.281 -9.814 1.00 0.00 O ATOM 1032 CB LYS B 7 0.277 -1.668 -12.289 1.00 0.00 C ATOM 1033 CG LYS B 7 0.268 -0.290 -12.968 1.00 0.00 C ATOM 1034 CD LYS B 7 -0.228 -0.422 -14.412 1.00 0.00 C ATOM 1035 CE LYS B 7 -1.767 -0.482 -14.431 1.00 0.00 C ATOM 1036 NZ LYS B 7 -2.122 -1.853 -14.911 1.00 0.00 N ATOM 0 H LYS B 7 0.613 -3.635 -10.944 1.00 0.00 H new ATOM 0 HA LYS B 7 1.334 -0.856 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.071 -2.285 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.664 -2.184 -12.481 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.376 0.393 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.271 0.137 -12.957 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.120 0.424 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS B 7 0.186 -1.321 -14.868 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.177 -0.299 -13.438 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.179 0.281 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.638 -1.783 -15.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.253 -2.407 -15.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.722 -2.324 -14.204 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.779 -1.700 -9.964 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.043 -1.223 -9.333 1.00 0.00 C ATOM 1052 C GLU B 8 -2.810 -0.840 -7.878 1.00 0.00 C ATOM 1053 O GLU B 8 -3.373 0.115 -7.418 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.031 -2.387 -9.447 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.803 -2.281 -10.762 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.528 -3.604 -11.036 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.611 -3.789 -10.502 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.985 -4.411 -11.775 1.00 0.00 O ATOM 0 H GLU B 8 -1.783 -2.684 -10.233 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.426 -0.330 -9.827 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.496 -3.336 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.724 -2.372 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.522 -1.464 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.120 -2.052 -11.580 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.952 -1.533 -7.165 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.679 -1.130 -5.743 1.00 0.00 C ATOM 1067 C LEU B 9 -0.861 0.157 -5.727 1.00 0.00 C ATOM 1068 O LEU B 9 -0.923 0.924 -4.787 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.878 -2.230 -5.057 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.463 -3.619 -5.315 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.481 -4.684 -4.780 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.817 -3.713 -4.590 1.00 0.00 C ATOM 0 H LEU B 9 -1.436 -2.347 -7.497 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.624 -0.973 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.153 -2.201 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.852 -2.042 -3.984 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.613 -3.789 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.890 -5.678 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.476 -4.587 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.335 -4.539 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.253 -4.697 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.668 -3.562 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.490 -2.946 -4.975 1.00 0.00 H new ATOM 1084 N SER B 10 -0.113 0.404 -6.778 1.00 0.00 N ATOM 1085 CA SER B 10 0.688 1.647 -6.859 1.00 0.00 C ATOM 1086 C SER B 10 -0.291 2.843 -6.899 1.00 0.00 C ATOM 1087 O SER B 10 -0.193 3.772 -6.110 1.00 0.00 O ATOM 1088 CB SER B 10 1.482 1.495 -8.176 1.00 0.00 C ATOM 1089 OG SER B 10 1.407 2.681 -8.969 1.00 0.00 O ATOM 0 H SER B 10 -0.029 -0.214 -7.585 1.00 0.00 H new ATOM 0 HA SER B 10 1.362 1.814 -6.019 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.525 1.272 -7.950 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.091 0.651 -8.743 1.00 0.00 H new ATOM 0 HG SER B 10 1.781 2.505 -9.858 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.245 2.787 -7.817 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.258 3.890 -7.974 1.00 0.00 C ATOM 1097 C VAL B 11 -3.385 3.755 -6.936 1.00 0.00 C ATOM 1098 O VAL B 11 -3.655 4.678 -6.189 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.808 3.720 -9.411 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.675 4.926 -9.782 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.649 3.597 -10.417 1.00 0.00 C ATOM 0 H VAL B 11 -1.362 2.012 -8.470 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.818 4.875 -7.816 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.410 2.812 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.059 4.800 -10.794 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.509 5.003 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.075 5.835 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.051 3.478 -11.423 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.035 4.496 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.039 2.729 -10.165 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.032 2.606 -6.889 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.147 2.373 -5.908 1.00 0.00 C ATOM 1113 C ALA B 12 -4.641 2.441 -4.477 1.00 0.00 C ATOM 1114 O ALA B 12 -5.214 3.106 -3.643 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.674 0.956 -6.198 1.00 0.00 C ATOM 0 H ALA B 12 -3.831 1.812 -7.497 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.920 3.134 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.491 0.725 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.035 0.905 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.870 0.233 -6.060 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.569 1.755 -4.207 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.991 1.718 -2.845 1.00 0.00 C ATOM 1123 C GLY B 13 -2.592 3.104 -2.377 1.00 0.00 C ATOM 1124 O GLY B 13 -3.061 3.561 -1.354 1.00 0.00 O ATOM 0 H GLY B 13 -3.058 1.204 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.716 1.293 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.119 1.064 -2.835 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.700 3.752 -3.091 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.221 5.098 -2.633 1.00 0.00 C ATOM 1130 C ARG B 14 -2.356 6.148 -2.552 1.00 0.00 C ATOM 1131 O ARG B 14 -2.364 6.950 -1.634 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.133 5.532 -3.608 1.00 0.00 C ATOM 1133 CG ARG B 14 0.630 6.714 -3.002 1.00 0.00 C ATOM 1134 CD ARG B 14 1.458 6.252 -1.794 1.00 0.00 C ATOM 1135 NE ARG B 14 2.867 6.616 -2.125 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.673 7.099 -1.208 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.679 6.374 -0.775 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.476 8.304 -0.730 1.00 0.00 N ATOM 0 H ARG B 14 -1.287 3.413 -3.960 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.836 5.023 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.548 4.705 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.574 5.817 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.285 7.156 -3.753 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.072 7.490 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.128 6.744 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.356 5.179 -1.633 1.00 0.00 H new ATOM 0 HE ARG B 14 3.209 6.488 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.832 5.438 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.307 6.747 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.696 8.867 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.102 8.679 -0.018 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.314 6.153 -3.466 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.440 7.161 -3.357 1.00 0.00 C ATOM 1154 C GLU B 15 -5.255 6.857 -2.085 1.00 0.00 C ATOM 1155 O GLU B 15 -5.561 7.747 -1.313 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.298 7.004 -4.617 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.595 7.682 -5.802 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.517 7.687 -7.027 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.510 8.402 -7.001 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.212 6.983 -7.972 1.00 0.00 O ATOM 0 H GLU B 15 -3.367 5.520 -4.264 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.073 8.185 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.458 5.947 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.280 7.450 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.323 8.704 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.669 7.156 -6.036 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.528 5.583 -1.843 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.247 5.137 -0.595 1.00 0.00 C ATOM 1169 C ILE B 16 -5.373 5.459 0.651 1.00 0.00 C ATOM 1170 O ILE B 16 -5.881 5.665 1.738 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.453 3.610 -0.804 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.532 3.406 -1.880 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.905 2.921 0.484 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.450 2.000 -2.479 1.00 0.00 C ATOM 0 H ILE B 16 -5.276 4.822 -2.473 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.199 5.640 -0.426 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.502 3.172 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.519 3.563 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.410 4.149 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.039 1.855 0.299 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.150 3.063 1.257 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.849 3.353 0.816 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.224 1.882 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.470 1.855 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.597 1.260 -1.692 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.062 5.513 0.469 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.104 5.830 1.584 1.00 0.00 C ATOM 1188 C VAL B 17 -3.139 7.319 1.986 1.00 0.00 C ATOM 1189 O VAL B 17 -2.949 7.636 3.148 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.699 5.481 1.009 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.568 6.227 1.730 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.447 3.992 1.124 1.00 0.00 C ATOM 0 H VAL B 17 -3.611 5.345 -0.430 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.360 5.269 2.483 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.701 5.793 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.390 5.948 1.291 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.716 7.302 1.625 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.573 5.962 2.787 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.462 3.757 0.720 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.489 3.696 2.172 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.208 3.450 0.563 1.00 0.00 H new ATOM 1202 N THR B 18 -3.276 8.234 1.038 1.00 0.00 N ATOM 1203 CA THR B 18 -3.189 9.688 1.407 1.00 0.00 C ATOM 1204 C THR B 18 -4.383 10.581 0.984 1.00 0.00 C ATOM 1205 O THR B 18 -4.216 11.794 0.955 1.00 0.00 O ATOM 1206 CB THR B 18 -1.866 10.151 0.745 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.529 11.457 1.194 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.987 10.149 -0.787 1.00 0.00 C ATOM 0 H THR B 18 -3.440 8.039 0.050 1.00 0.00 H new ATOM 0 HA THR B 18 -3.218 9.794 2.491 1.00 0.00 H new ATOM 0 HB THR B 18 -1.081 9.452 1.032 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.342 12.001 1.258 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.045 10.478 -1.227 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.217 9.141 -1.133 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.785 10.827 -1.090 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.583 10.069 0.695 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.696 11.040 0.343 1.00 0.00 C ATOM 1218 C LEU B 19 -6.960 11.992 1.556 1.00 0.00 C ATOM 1219 O LEU B 19 -6.656 11.650 2.688 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.928 10.236 -0.084 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.303 9.164 0.931 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.803 9.220 1.122 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.912 7.776 0.405 1.00 0.00 C ATOM 0 H LEU B 19 -5.827 9.079 0.688 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.420 11.680 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.771 10.913 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.736 9.767 -1.049 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.781 9.338 1.872 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.106 8.463 1.845 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.086 10.206 1.489 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.298 9.031 0.170 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.185 7.018 1.139 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.436 7.580 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.836 7.742 0.232 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.408 13.202 1.249 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.574 14.292 2.283 1.00 0.00 C ATOM 1237 C PRO B 20 -8.578 14.038 3.432 1.00 0.00 C ATOM 1238 O PRO B 20 -8.337 14.494 4.537 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.017 15.498 1.450 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.626 14.911 0.222 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.832 13.673 -0.082 1.00 0.00 C ATOM 0 HA PRO B 20 -6.638 14.402 2.831 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -8.736 16.111 1.993 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.172 16.140 1.204 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.677 14.671 0.384 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -8.585 15.615 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.435 12.926 -0.599 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.977 13.891 -0.722 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.695 13.382 3.206 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.692 13.201 4.343 1.00 0.00 C ATOM 1251 C ASN B 21 -10.590 11.829 5.036 1.00 0.00 C ATOM 1252 O ASN B 21 -11.471 11.474 5.798 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.084 13.318 3.716 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.315 14.662 3.014 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.573 15.613 3.190 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.342 14.773 2.222 1.00 0.00 N ATOM 0 H ASN B 21 -9.965 12.970 2.313 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.489 13.952 5.106 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.221 12.511 2.997 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.838 13.185 4.492 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.527 15.657 1.747 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.962 13.976 2.076 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.566 11.051 4.771 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.463 9.690 5.402 1.00 0.00 C ATOM 1265 C LEU B 22 -8.586 9.691 6.667 1.00 0.00 C ATOM 1266 O LEU B 22 -7.762 10.571 6.856 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.805 8.841 4.331 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.235 7.395 4.469 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.131 6.999 3.296 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.001 6.509 4.493 1.00 0.00 C ATOM 0 H LEU B 22 -8.798 11.297 4.147 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.441 9.328 5.720 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.075 9.215 3.344 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.721 8.915 4.414 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.795 7.272 5.396 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.434 5.958 3.405 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.016 7.635 3.283 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.583 7.121 2.362 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.303 5.467 4.592 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -7.442 6.638 3.566 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.371 6.786 5.338 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.729 8.673 7.504 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.861 8.578 8.739 1.00 0.00 C ATOM 1284 C ASN B 23 -6.941 7.342 8.638 1.00 0.00 C ATOM 1285 O ASN B 23 -7.215 6.429 7.884 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.801 8.533 9.967 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.678 7.270 10.005 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.249 6.204 9.647 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.898 7.344 10.451 1.00 0.00 N ATOM 0 H ASN B 23 -9.400 7.914 7.387 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.202 9.441 8.838 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.203 8.581 10.877 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.442 9.414 9.959 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.477 6.505 10.494 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.275 8.241 10.758 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.829 7.342 9.359 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.828 6.206 9.269 1.00 0.00 C ATOM 1298 C ASP B 24 -5.406 4.774 9.489 1.00 0.00 C ATOM 1299 O ASP B 24 -5.004 3.877 8.757 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.660 6.534 10.236 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.106 6.622 11.699 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.639 7.655 12.080 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -3.888 5.661 12.421 1.00 0.00 O ATOM 0 H ASP B 24 -5.570 8.084 10.009 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.480 6.153 8.237 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -2.890 5.768 10.141 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.206 7.480 9.942 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.310 4.554 10.447 1.00 0.00 N ATOM 1309 CA PRO B 25 -6.852 3.172 10.644 1.00 0.00 C ATOM 1310 C PRO B 25 -7.729 2.723 9.452 1.00 0.00 C ATOM 1311 O PRO B 25 -7.743 1.550 9.102 1.00 0.00 O ATOM 1312 CB PRO B 25 -7.673 3.278 11.929 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.043 4.718 12.032 1.00 0.00 C ATOM 1314 CD PRO B 25 -6.917 5.499 11.410 1.00 0.00 C ATOM 0 HA PRO B 25 -6.061 2.424 10.710 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.559 2.645 11.885 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.094 2.956 12.795 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -8.982 4.914 11.515 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.186 5.007 13.073 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.283 6.396 10.911 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.195 5.823 12.160 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.455 3.638 8.825 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.325 3.252 7.671 1.00 0.00 C ATOM 1324 C GLN B 26 -8.483 3.049 6.389 1.00 0.00 C ATOM 1325 O GLN B 26 -8.716 2.092 5.674 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.427 4.341 7.607 1.00 0.00 C ATOM 1327 CG GLN B 26 -10.317 5.285 6.426 1.00 0.00 C ATOM 1328 CD GLN B 26 -11.611 6.124 6.341 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.039 6.495 5.275 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.248 6.462 7.432 1.00 0.00 N ATOM 0 H GLN B 26 -8.476 4.628 9.069 1.00 0.00 H new ATOM 0 HA GLN B 26 -9.810 2.283 7.786 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -11.401 3.852 7.574 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.395 4.926 8.526 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -9.451 5.937 6.542 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -10.170 4.722 5.504 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.900 6.157 8.341 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.093 7.031 7.374 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.473 3.885 6.119 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.605 3.640 4.899 1.00 0.00 C ATOM 1341 C LYS B 27 -5.979 2.248 5.001 1.00 0.00 C ATOM 1342 O LYS B 27 -5.928 1.527 4.020 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.502 4.723 4.775 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.971 5.265 6.111 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.247 6.604 5.876 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.262 7.755 5.773 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.683 8.884 6.561 1.00 0.00 N ATOM 0 H LYS B 27 -7.223 4.701 6.677 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.225 3.697 4.004 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.667 4.307 4.211 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.896 5.556 4.193 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.795 5.404 6.811 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.288 4.545 6.561 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.552 6.796 6.693 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.657 6.549 4.961 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.420 8.045 4.734 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.232 7.457 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.330 9.698 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.551 8.586 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.765 9.155 6.156 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.557 1.846 6.191 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.999 0.459 6.362 1.00 0.00 C ATOM 1363 C LYS B 28 -6.084 -0.569 5.994 1.00 0.00 C ATOM 1364 O LYS B 28 -5.812 -1.562 5.353 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.672 0.286 7.859 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.203 0.602 8.112 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.535 -0.482 8.951 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.027 -0.465 8.661 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.434 -1.520 9.537 1.00 0.00 N ATOM 0 H LYS B 28 -5.576 2.414 7.038 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.120 0.315 5.733 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.302 0.945 8.456 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.892 -0.735 8.172 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.682 0.700 7.160 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.119 1.562 8.622 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.719 -0.307 10.011 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.955 -1.459 8.712 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.828 -0.672 7.609 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.597 0.513 8.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.473 -1.834 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.277 -1.132 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.085 -2.329 9.596 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.316 -0.313 6.427 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.460 -1.253 6.149 1.00 0.00 C ATOM 1385 C ALA B 29 -8.607 -1.562 4.647 1.00 0.00 C ATOM 1386 O ALA B 29 -8.700 -2.723 4.283 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.719 -0.547 6.675 1.00 0.00 C ATOM 0 H ALA B 29 -7.571 0.516 6.964 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.291 -2.213 6.636 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.590 -1.180 6.503 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.612 -0.360 7.743 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.850 0.400 6.152 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.604 -0.565 3.761 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.725 -0.914 2.292 1.00 0.00 C ATOM 1395 C PHE B 30 -7.357 -1.314 1.722 1.00 0.00 C ATOM 1396 O PHE B 30 -7.309 -2.155 0.863 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.296 0.243 1.429 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.875 1.397 2.196 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.023 2.389 2.653 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.261 1.514 2.381 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.548 3.503 3.314 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.780 2.626 3.028 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.928 3.619 3.498 1.00 0.00 C ATOM 0 H PHE B 30 -8.527 0.428 3.981 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.427 -1.746 2.243 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.501 0.620 0.786 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.070 -0.162 0.776 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.958 2.302 2.499 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.922 0.740 2.020 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.887 4.274 3.682 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.847 2.720 3.167 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.334 4.481 4.006 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.245 -0.731 2.165 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.919 -1.160 1.580 1.00 0.00 C ATOM 1415 C ILE B 31 -4.682 -2.646 1.871 1.00 0.00 C ATOM 1416 O ILE B 31 -4.293 -3.395 0.997 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.808 -0.303 2.202 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.751 1.030 1.421 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.442 -1.050 2.096 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.324 1.372 1.051 1.00 0.00 C ATOM 0 H ILE B 31 -6.201 -0.004 2.879 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.920 -1.020 0.499 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.011 -0.115 3.256 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.358 0.955 0.519 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.177 1.830 2.026 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.657 -0.437 2.539 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.504 -2.000 2.627 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.209 -1.236 1.047 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.306 2.313 0.502 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.726 1.469 1.957 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.910 0.580 0.427 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.913 -3.065 3.096 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.710 -4.501 3.453 1.00 0.00 C ATOM 1434 C PHE B 32 -5.661 -5.374 2.602 1.00 0.00 C ATOM 1435 O PHE B 32 -5.250 -6.392 2.080 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.960 -4.590 4.977 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.662 -4.249 5.721 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.025 -2.972 5.567 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.056 -5.220 6.566 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.833 -2.725 6.227 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.870 -4.928 7.211 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.264 -3.700 7.038 1.00 0.00 C ATOM 0 H PHE B 32 -5.233 -2.471 3.861 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.708 -4.873 3.238 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.752 -3.901 5.269 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.295 -5.592 5.245 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.471 -2.212 4.943 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.523 -6.184 6.703 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.343 -1.770 6.111 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.414 -5.665 7.855 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.331 -3.493 7.542 1.00 0.00 H new ATOM 1452 N SER B 33 -6.901 -4.944 2.378 1.00 0.00 N ATOM 1453 CA SER B 33 -7.821 -5.732 1.472 1.00 0.00 C ATOM 1454 C SER B 33 -7.366 -5.559 -0.005 1.00 0.00 C ATOM 1455 O SER B 33 -7.505 -6.466 -0.799 1.00 0.00 O ATOM 1456 CB SER B 33 -9.242 -5.193 1.705 1.00 0.00 C ATOM 1457 OG SER B 33 -9.360 -3.872 1.210 1.00 0.00 O ATOM 0 H SER B 33 -7.305 -4.097 2.777 1.00 0.00 H new ATOM 0 HA SER B 33 -7.796 -6.800 1.689 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.968 -5.839 1.210 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.474 -5.210 2.770 1.00 0.00 H new ATOM 0 HG SER B 33 -8.482 -3.438 1.224 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.781 -4.411 -0.351 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.246 -4.165 -1.749 1.00 0.00 C ATOM 1465 C LEU B 34 -5.094 -5.140 -2.009 1.00 0.00 C ATOM 1466 O LEU B 34 -4.978 -5.706 -3.080 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.740 -2.700 -1.738 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.143 -2.289 -3.089 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.254 -1.860 -4.051 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.164 -1.117 -2.885 1.00 0.00 C ATOM 0 H LEU B 34 -6.652 -3.627 0.289 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.992 -4.315 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.565 -2.033 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.988 -2.582 -0.958 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.614 -3.142 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.816 -1.571 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.943 -2.690 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.794 -1.013 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.740 -0.826 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.696 -0.270 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.363 -1.425 -2.213 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.258 -5.349 -1.011 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.117 -6.300 -1.143 1.00 0.00 C ATOM 1484 C TRP B 35 -3.625 -7.743 -1.338 1.00 0.00 C ATOM 1485 O TRP B 35 -3.123 -8.470 -2.177 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.355 -6.197 0.177 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.117 -7.001 0.036 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.860 -8.168 0.662 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.010 -6.736 -0.823 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.365 -8.627 0.243 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.945 -7.771 -0.666 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.306 -5.695 -1.709 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.137 -7.772 -1.369 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.505 -5.692 -2.416 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.415 -6.722 -2.246 1.00 0.00 C ATOM 0 H TRP B 35 -4.326 -4.891 -0.102 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.495 -6.059 -2.005 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.115 -5.158 0.402 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.963 -6.569 1.002 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.508 -8.659 1.373 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.792 -9.495 0.566 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.400 -4.889 -1.845 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.845 -8.577 -1.240 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.726 -4.885 -3.099 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.345 -6.713 -2.795 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.612 -8.151 -0.555 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.162 -9.541 -0.663 1.00 0.00 C ATOM 1508 C ASP B 36 -6.014 -9.688 -1.925 1.00 0.00 C ATOM 1509 O ASP B 36 -5.934 -10.691 -2.613 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.030 -9.737 0.591 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.216 -11.235 0.862 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.167 -11.799 0.345 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.401 -11.792 1.581 1.00 0.00 O ATOM 0 H ASP B 36 -5.057 -7.571 0.156 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.366 -10.283 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.559 -9.258 1.449 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.000 -9.260 0.452 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.839 -8.699 -2.224 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.712 -8.781 -3.424 1.00 0.00 C ATOM 1520 C ASP B 37 -7.644 -7.478 -4.245 1.00 0.00 C ATOM 1521 O ASP B 37 -8.578 -6.687 -4.225 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.149 -9.028 -2.900 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.174 -10.169 -1.869 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.045 -11.314 -2.272 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.318 -9.872 -0.693 1.00 0.00 O ATOM 0 H ASP B 37 -6.936 -7.842 -1.679 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.391 -9.584 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.536 -8.115 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.806 -9.273 -3.734 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.552 -7.301 -4.989 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.420 -6.099 -5.860 1.00 0.00 C ATOM 1532 C PRO B 38 -7.429 -6.135 -7.031 1.00 0.00 C ATOM 1533 O PRO B 38 -7.561 -5.163 -7.746 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.988 -6.146 -6.353 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.599 -7.589 -6.253 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.362 -8.165 -5.087 1.00 0.00 C ATOM 0 HA PRO B 38 -6.639 -5.175 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.910 -5.785 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.338 -5.518 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.841 -8.120 -7.174 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.525 -7.690 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.636 -9.205 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.772 -8.140 -4.171 1.00 0.00 H new ATOM 1544 N SER B 39 -8.179 -7.222 -7.205 1.00 0.00 N ATOM 1545 CA SER B 39 -9.231 -7.259 -8.283 1.00 0.00 C ATOM 1546 C SER B 39 -10.252 -6.139 -7.990 1.00 0.00 C ATOM 1547 O SER B 39 -10.790 -5.519 -8.888 1.00 0.00 O ATOM 1548 CB SER B 39 -9.896 -8.634 -8.168 1.00 0.00 C ATOM 1549 OG SER B 39 -10.130 -9.159 -9.470 1.00 0.00 O ATOM 0 H SER B 39 -8.103 -8.073 -6.648 1.00 0.00 H new ATOM 0 HA SER B 39 -8.825 -7.108 -9.283 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.258 -9.312 -7.600 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.837 -8.550 -7.624 1.00 0.00 H new ATOM 0 HG SER B 39 -10.554 -10.040 -9.396 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.466 -5.862 -6.708 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.395 -4.758 -6.272 1.00 0.00 C ATOM 1557 C GLN B 40 -10.612 -3.422 -6.172 1.00 0.00 C ATOM 1558 O GLN B 40 -11.088 -2.496 -5.562 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.889 -5.132 -4.852 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.175 -6.631 -4.725 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.823 -6.924 -3.369 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.249 -6.648 -2.334 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -14.001 -7.478 -3.329 1.00 0.00 N ATOM 0 H GLN B 40 -10.026 -6.366 -5.938 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.216 -4.642 -6.980 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.137 -4.842 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.793 -4.569 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.835 -6.954 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.249 -7.197 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.485 -7.711 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.440 -7.679 -2.430 1.00 0.00 H new ATOM 1572 N SER B 41 -9.410 -3.332 -6.735 1.00 0.00 N ATOM 1573 CA SER B 41 -8.568 -2.079 -6.645 1.00 0.00 C ATOM 1574 C SER B 41 -9.348 -0.819 -7.060 1.00 0.00 C ATOM 1575 O SER B 41 -9.302 0.182 -6.367 1.00 0.00 O ATOM 1576 CB SER B 41 -7.419 -2.336 -7.603 1.00 0.00 C ATOM 1577 OG SER B 41 -6.672 -1.151 -7.820 1.00 0.00 O ATOM 0 H SER B 41 -8.974 -4.090 -7.261 1.00 0.00 H new ATOM 0 HA SER B 41 -8.242 -1.888 -5.623 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.769 -3.112 -7.199 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.806 -2.706 -8.552 1.00 0.00 H new ATOM 0 HG SER B 41 -6.555 -1.010 -8.783 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.079 -0.871 -8.164 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.888 0.325 -8.593 1.00 0.00 C ATOM 1585 C ALA B 42 -11.951 0.603 -7.520 1.00 0.00 C ATOM 1586 O ALA B 42 -12.135 1.731 -7.099 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.539 -0.063 -9.927 1.00 0.00 C ATOM 0 H ALA B 42 -10.147 -1.683 -8.778 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.285 1.226 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.143 0.768 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.763 -0.296 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.174 -0.937 -9.781 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.615 -0.443 -7.048 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.632 -0.294 -5.963 1.00 0.00 C ATOM 1595 C ASN B 43 -12.954 0.140 -4.643 1.00 0.00 C ATOM 1596 O ASN B 43 -13.568 0.800 -3.834 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.279 -1.680 -5.810 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.483 -1.591 -4.862 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.398 -1.986 -3.718 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.609 -1.085 -5.292 1.00 0.00 N ATOM 0 H ASN B 43 -12.486 -1.399 -7.379 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.372 0.470 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.598 -2.052 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.550 -2.391 -5.421 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.412 -1.023 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.684 -0.752 -6.253 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.698 -0.238 -4.427 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.973 0.141 -3.163 1.00 0.00 C ATOM 1609 C LEU B 44 -10.634 1.622 -3.164 1.00 0.00 C ATOM 1610 O LEU B 44 -10.933 2.335 -2.229 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.709 -0.714 -3.176 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.002 -2.013 -2.444 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.205 -3.161 -3.075 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.611 -1.819 -0.978 1.00 0.00 C ATOM 0 H LEU B 44 -11.148 -0.796 -5.080 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.573 -0.030 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.399 -0.918 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.887 -0.184 -2.694 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.059 -2.267 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.421 -4.088 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.488 -3.268 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.139 -2.944 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.810 -2.736 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.550 -1.579 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.194 -1.003 -0.551 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.042 2.078 -4.231 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.701 3.528 -4.382 1.00 0.00 C ATOM 1628 C LEU B 45 -11.002 4.336 -4.293 1.00 0.00 C ATOM 1629 O LEU B 45 -11.060 5.363 -3.641 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.067 3.659 -5.773 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.890 4.631 -5.714 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.301 4.788 -7.115 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.363 5.991 -5.188 1.00 0.00 C ATOM 0 H LEU B 45 -9.772 1.497 -5.025 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.020 3.894 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.728 2.684 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.808 4.014 -6.489 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.127 4.242 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.460 5.481 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.958 3.818 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -8.064 5.177 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.519 6.679 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -9.128 6.392 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.779 5.870 -4.188 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.059 3.826 -4.903 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.393 4.491 -4.818 1.00 0.00 C ATOM 1647 C ALA B 46 -13.876 4.424 -3.363 1.00 0.00 C ATOM 1648 O ALA B 46 -14.353 5.398 -2.827 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.312 3.666 -5.710 1.00 0.00 C ATOM 0 H ALA B 46 -12.044 2.970 -5.458 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.368 5.536 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.313 4.096 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.928 3.670 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.353 2.641 -5.341 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.710 3.269 -2.719 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.106 3.108 -1.284 1.00 0.00 C ATOM 1657 C GLU B 47 -13.342 4.120 -0.429 1.00 0.00 C ATOM 1658 O GLU B 47 -13.884 4.670 0.493 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.707 1.673 -0.878 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.227 1.359 0.536 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.756 1.497 0.586 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.430 0.610 0.083 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.225 2.485 1.129 1.00 0.00 O ATOM 0 H GLU B 47 -13.312 2.431 -3.144 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.174 3.275 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.116 0.958 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.623 1.567 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.937 0.348 0.821 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.770 2.037 1.257 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.093 4.375 -0.761 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.274 5.376 -0.007 1.00 0.00 C ATOM 1672 C ALA B 48 -11.945 6.753 -0.131 1.00 0.00 C ATOM 1673 O ALA B 48 -12.197 7.407 0.859 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.882 5.364 -0.680 1.00 0.00 C ATOM 0 H ALA B 48 -11.604 3.924 -1.534 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.187 5.147 1.055 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.228 6.077 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.452 4.365 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.983 5.642 -1.729 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.280 7.158 -1.344 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.982 8.476 -1.563 1.00 0.00 C ATOM 1682 C LYS B 49 -14.390 8.448 -0.924 1.00 0.00 C ATOM 1683 O LYS B 49 -14.794 9.385 -0.276 1.00 0.00 O ATOM 1684 CB LYS B 49 -13.087 8.634 -3.089 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.680 8.749 -3.699 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.785 8.978 -5.210 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.392 8.857 -5.850 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.798 10.229 -5.807 1.00 0.00 N ATOM 0 H LYS B 49 -12.096 6.628 -2.196 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.442 9.305 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.610 7.779 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.672 9.521 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.139 9.573 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.112 7.841 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.464 8.248 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.203 9.964 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.772 8.146 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.464 8.495 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.848 10.209 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.401 10.885 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.731 10.547 -4.819 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.124 7.367 -1.095 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.501 7.253 -0.481 1.00 0.00 C ATOM 1704 C LYS B 50 -16.407 7.263 1.057 1.00 0.00 C ATOM 1705 O LYS B 50 -17.202 7.895 1.729 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.054 5.904 -0.967 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.400 5.984 -2.463 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.423 4.572 -3.070 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.596 3.758 -2.494 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.974 2.719 -1.614 1.00 0.00 N ATOM 0 H LYS B 50 -14.830 6.553 -1.635 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.142 8.086 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.318 5.118 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.942 5.638 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.370 6.462 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.667 6.601 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.515 4.637 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.482 4.064 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.274 4.396 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.181 3.298 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.720 2.131 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.340 2.120 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.430 3.184 -0.859 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.424 6.569 1.602 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.225 6.519 3.091 1.00 0.00 C ATOM 1726 C LEU B 51 -14.752 7.903 3.592 1.00 0.00 C ATOM 1727 O LEU B 51 -15.234 8.387 4.603 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.171 5.396 3.297 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.266 4.703 4.685 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.055 5.537 5.712 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.946 3.335 4.511 1.00 0.00 C ATOM 0 H LEU B 51 -14.744 6.029 1.067 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.130 6.300 3.658 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.294 4.646 2.516 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.173 5.819 3.178 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.252 4.592 5.070 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.090 5.005 6.663 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.564 6.500 5.853 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.070 5.697 5.348 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -15.018 2.839 5.479 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -15.946 3.475 4.100 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.357 2.720 3.831 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.857 8.566 2.863 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.404 9.946 3.260 1.00 0.00 C ATOM 1745 C ASN B 52 -14.610 10.909 3.272 1.00 0.00 C ATOM 1746 O ASN B 52 -14.649 11.847 4.045 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.310 10.324 2.212 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.722 11.385 1.145 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.852 11.525 0.760 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.807 12.138 0.617 1.00 0.00 N ATOM 0 H ASN B 52 -13.426 8.204 2.012 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.990 10.001 4.267 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.436 10.696 2.747 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.003 9.416 1.693 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.058 12.820 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.837 12.048 0.918 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.587 10.669 2.408 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.788 11.550 2.338 1.00 0.00 C ATOM 1759 C ASP B 53 -17.620 11.446 3.628 1.00 0.00 C ATOM 1760 O ASP B 53 -18.235 12.412 4.048 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.610 11.047 1.147 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.692 12.076 0.793 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.358 13.076 0.177 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.836 11.848 1.151 1.00 0.00 O ATOM 0 H ASP B 53 -15.591 9.891 1.749 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.500 12.595 2.224 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.959 10.879 0.289 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.071 10.089 1.389 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.637 10.277 4.252 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.424 10.095 5.519 1.00 0.00 C ATOM 1771 C ALA B 54 -17.846 10.973 6.646 1.00 0.00 C ATOM 1772 O ALA B 54 -18.572 11.448 7.502 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.283 8.607 5.854 1.00 0.00 C ATOM 0 H ALA B 54 -17.138 9.446 3.934 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.467 10.390 5.407 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.831 8.387 6.770 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.688 8.010 5.037 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.230 8.364 5.994 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.547 11.198 6.629 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.882 12.051 7.664 1.00 0.00 C ATOM 1781 C GLN B 55 -15.903 13.529 7.234 1.00 0.00 C ATOM 1782 O GLN B 55 -16.115 14.412 8.047 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.452 11.512 7.717 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.444 10.143 8.398 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.042 9.567 8.301 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.399 9.324 9.295 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.534 9.361 7.124 1.00 0.00 N ATOM 0 H GLN B 55 -15.913 10.817 5.927 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.377 12.012 8.634 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.046 11.430 6.709 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.812 12.205 8.263 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.744 10.237 9.442 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.162 9.477 7.919 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.082 9.568 6.289 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.587 8.992 7.035 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.668 13.791 5.961 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.648 15.198 5.442 1.00 0.00 C ATOM 1798 C ALA B 56 -16.214 15.254 4.009 1.00 0.00 C ATOM 1799 O ALA B 56 -16.183 14.264 3.313 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.169 15.563 5.437 1.00 0.00 C ATOM 0 H ALA B 56 -15.488 13.077 5.255 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.253 15.877 6.043 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.047 16.582 5.070 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.773 15.492 6.450 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.627 14.876 4.787 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.702 16.414 3.602 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.269 16.563 2.227 1.00 0.00 C ATOM 1808 C PRO B 57 -16.160 16.476 1.164 1.00 0.00 C ATOM 1809 O PRO B 57 -15.065 16.987 1.350 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.904 17.952 2.248 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.161 18.690 3.309 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.770 17.677 4.352 1.00 0.00 C ATOM 0 HA PRO B 57 -17.982 15.778 1.974 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.809 18.446 1.281 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.969 17.898 2.475 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.279 19.178 2.895 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.783 19.472 3.744 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.812 17.923 4.810 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.504 17.626 5.156 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.446 15.838 0.051 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.428 15.707 -1.052 1.00 0.00 C ATOM 1822 C LYS B 58 -15.393 16.985 -1.909 1.00 0.00 C ATOM 1823 O LYS B 58 -16.441 17.405 -2.381 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.872 14.499 -1.893 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.473 13.195 -1.190 1.00 0.00 C ATOM 1826 CD LYS B 58 -16.121 11.997 -1.902 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.343 11.644 -3.178 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.188 12.123 -4.315 1.00 0.00 N ATOM 1829 OXT LYS B 58 -14.311 17.526 -2.074 1.00 0.00 O ATOM 0 H LYS B 58 -17.346 15.399 -0.145 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.423 15.567 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.951 14.526 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -15.413 14.545 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.388 13.087 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.788 13.223 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.143 11.137 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -17.155 12.232 -2.153 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.366 12.127 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.169 10.570 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -15.689 11.957 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.090 11.605 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.374 13.140 -4.205 1.00 0.00 H new TER 1843 LYS B 58