USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=21 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: B 21 ASN : amide:sc= -2.53! C(o=-9.1!,f=-11!) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.53! C(o=-9.1!,f=-16!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.85 K(o=-8.2,f=-20!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.41! C(o=-8.2!,f=-9!) USER MOD Set 2.3: B 55 GLN : amide:sc= -0.966 K(o=-8.2,f=-9) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.332 K(o=-3.9,f=-6.9!) USER MOD Set 3.2: B 6 ASN : amide:sc= -3.52! C(o=-3.9!,f=-9.3!) USER MOD Set 3.3: B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: B 3 ASN : amide:sc= 0.171 K(o=0.2,f=-1.3) USER MOD Set 4.2: B 4 LYS NZ :NH3+ -161:sc= 0.0255 (180deg=-0.286) USER MOD Set 5.1: A 23 ASN : amide:sc= 0.445 K(o=0.84,f=-4.7!) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.743 K(o=0.84,f=-9.5!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.349 K(o=0.84,f=-2!) USER MOD Set 6.1: A 21 ASN : amide:sc= -1.96 K(o=-2.8,f=-4.4!) USER MOD Set 6.2: A 52 ASN : amide:sc= -0.884 X(o=-2.8,f=-2.4) USER MOD Set 7.1: A 14 TYR OH : rot -75:sc= 0.615 USER MOD Set 7.2: A 18 HIS :FLIP no HE2:sc= -19.6! C(o=-21!,f=-19!) USER MOD Set 8.1: A 11 ASN : amide:sc= 0 X(o=0.46,f=0.4) USER MOD Set 8.2: B 28 LYS NZ :NH3+ -154:sc= 0.461 (180deg=0.174) USER MOD Set 9.1: A 3 ASN : amide:sc= 0 X(o=-0.0024,f=-0.0024) USER MOD Set 9.2: A 6 ASN : amide:sc=-0.00238 X(o=-0.0024,f=-0.0028) USER MOD Single : A 1 VAL N :NH3+ 156:sc= -0.389 (180deg=-0.884) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc=-0.00504 (180deg=-0.106) USER MOD Single : A 9 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.2!) USER MOD Single : A 10 GLN : amide:sc= -2.72! C(o=-2.7!,f=-10!) USER MOD Single : A 28 ASN :FLIP amide:sc= -6.1! C(o=-7.6!,f=-6.1!) USER MOD Single : A 33 SER OG : rot 9:sc= 0.52 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0.587 (180deg=0.44) USER MOD Single : A 39 SER OG : rot -21:sc= 0.118 USER MOD Single : A 40 GLN : amide:sc=-0.00104 X(o=-0.001,f=-0.001) USER MOD Single : A 41 SER OG : rot -97:sc= 0.582 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 58 LYS NZ :NH3+ -177:sc= 0.206 (180deg=0.201) USER MOD Single : B 1 VAL N :NH3+ -157:sc= -0.0649 (180deg=-0.639) USER MOD Single : B 10 SER OG : rot 80:sc= -1.22 USER MOD Single : B 18 THR OG1 : rot -47:sc= 0.485 USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.122 (180deg=0.0293) USER MOD Single : B 33 SER OG : rot -45:sc= -0.155! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.27) USER MOD Single : B 41 SER OG : rot -90:sc= -1.85 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 164:sc= -1.03 (180deg=-1.76) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= -2.87! (180deg=-2.87!) USER MOD Single : B 58 LYS NZ :NH3+ -179:sc= -0.298 (180deg=-0.298) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.977 -23.874 12.020 1.00 0.00 N ATOM 2 CA VAL A 1 1.984 -23.256 10.645 1.00 0.00 C ATOM 3 C VAL A 1 2.352 -21.762 10.727 1.00 0.00 C ATOM 4 O VAL A 1 1.761 -21.011 11.488 1.00 0.00 O ATOM 5 CB VAL A 1 0.565 -23.438 10.039 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.379 -24.889 9.577 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.538 -23.088 11.056 1.00 0.00 C ATOM 0 H1 VAL A 1 1.363 -24.713 12.020 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.945 -24.153 12.280 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.619 -23.183 12.709 1.00 0.00 H new ATOM 0 HA VAL A 1 2.729 -23.741 10.014 1.00 0.00 H new ATOM 0 HB VAL A 1 0.479 -22.758 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.618 -25.011 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.127 -25.129 8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.496 -25.560 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.516 -23.228 10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.451 -23.739 11.926 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.429 -22.049 11.368 1.00 0.00 H new ATOM 19 N ASP A 2 3.326 -21.332 9.947 1.00 0.00 N ATOM 20 CA ASP A 2 3.742 -19.889 9.967 1.00 0.00 C ATOM 21 C ASP A 2 2.865 -19.066 9.008 1.00 0.00 C ATOM 22 O ASP A 2 2.933 -19.222 7.800 1.00 0.00 O ATOM 23 CB ASP A 2 5.214 -19.874 9.513 1.00 0.00 C ATOM 24 CG ASP A 2 5.767 -18.440 9.567 1.00 0.00 C ATOM 25 OD1 ASP A 2 6.124 -18.002 10.651 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.824 -17.806 8.524 1.00 0.00 O ATOM 0 H ASP A 2 3.849 -21.921 9.299 1.00 0.00 H new ATOM 0 HA ASP A 2 3.627 -19.447 10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.807 -20.526 10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.294 -20.266 8.499 1.00 0.00 H new ATOM 31 N ASN A 3 2.049 -18.188 9.553 1.00 0.00 N ATOM 32 CA ASN A 3 1.160 -17.326 8.700 1.00 0.00 C ATOM 33 C ASN A 3 1.475 -15.824 8.898 1.00 0.00 C ATOM 34 O ASN A 3 0.692 -14.975 8.505 1.00 0.00 O ATOM 35 CB ASN A 3 -0.269 -17.653 9.159 1.00 0.00 C ATOM 36 CG ASN A 3 -0.666 -19.046 8.656 1.00 0.00 C ATOM 37 OD1 ASN A 3 -1.042 -19.207 7.513 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.591 -20.071 9.465 1.00 0.00 N ATOM 0 H ASN A 3 1.960 -18.031 10.557 1.00 0.00 H new ATOM 0 HA ASN A 3 1.305 -17.523 7.638 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.329 -17.618 10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.964 -16.906 8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.848 -21.001 9.135 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.276 -19.940 10.426 1.00 0.00 H new ATOM 45 N LYS A 4 2.617 -15.487 9.491 1.00 0.00 N ATOM 46 CA LYS A 4 2.975 -14.037 9.699 1.00 0.00 C ATOM 47 C LYS A 4 3.181 -13.320 8.351 1.00 0.00 C ATOM 48 O LYS A 4 2.795 -12.176 8.203 1.00 0.00 O ATOM 49 CB LYS A 4 4.275 -14.017 10.539 1.00 0.00 C ATOM 50 CG LYS A 4 5.440 -14.680 9.782 1.00 0.00 C ATOM 51 CD LYS A 4 6.670 -14.770 10.690 1.00 0.00 C ATOM 52 CE LYS A 4 7.456 -13.451 10.630 1.00 0.00 C ATOM 53 NZ LYS A 4 8.859 -13.804 11.004 1.00 0.00 N ATOM 0 H LYS A 4 3.308 -16.154 9.835 1.00 0.00 H new ATOM 0 HA LYS A 4 2.171 -13.509 10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.537 -12.988 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.109 -14.537 11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.149 -15.677 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.679 -14.104 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.363 -14.975 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.306 -15.598 10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.414 -13.014 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.040 -12.715 11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.450 -12.948 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.871 -14.210 11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.234 -14.500 10.328 1.00 0.00 H new ATOM 67 N PHE A 5 3.782 -13.990 7.377 1.00 0.00 N ATOM 68 CA PHE A 5 4.034 -13.363 6.034 1.00 0.00 C ATOM 69 C PHE A 5 2.732 -12.866 5.382 1.00 0.00 C ATOM 70 O PHE A 5 2.761 -11.905 4.634 1.00 0.00 O ATOM 71 CB PHE A 5 4.690 -14.451 5.160 1.00 0.00 C ATOM 72 CG PHE A 5 6.079 -14.831 5.679 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.777 -14.008 6.588 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.669 -16.018 5.231 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.046 -14.381 7.039 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.940 -16.388 5.686 1.00 0.00 C ATOM 77 CZ PHE A 5 8.628 -15.571 6.588 1.00 0.00 C ATOM 0 H PHE A 5 4.109 -14.952 7.463 1.00 0.00 H new ATOM 0 HA PHE A 5 4.677 -12.489 6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.054 -15.336 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.770 -14.094 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.330 -13.088 6.936 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.142 -16.651 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.578 -13.750 7.736 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.390 -17.307 5.340 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.609 -15.858 6.937 1.00 0.00 H new ATOM 87 N ASN A 6 1.598 -13.498 5.665 1.00 0.00 N ATOM 88 CA ASN A 6 0.293 -13.038 5.063 1.00 0.00 C ATOM 89 C ASN A 6 0.067 -11.544 5.363 1.00 0.00 C ATOM 90 O ASN A 6 -0.232 -10.779 4.462 1.00 0.00 O ATOM 91 CB ASN A 6 -0.804 -13.893 5.722 1.00 0.00 C ATOM 92 CG ASN A 6 -0.692 -15.350 5.251 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.325 -16.219 6.017 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.998 -15.659 4.019 1.00 0.00 N ATOM 0 H ASN A 6 1.525 -14.306 6.283 1.00 0.00 H new ATOM 0 HA ASN A 6 0.287 -13.154 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.710 -13.845 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.787 -13.495 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.928 -16.626 3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.307 -14.933 3.373 1.00 0.00 H new ATOM 101 N LYS A 7 0.257 -11.116 6.606 1.00 0.00 N ATOM 102 CA LYS A 7 0.095 -9.660 6.926 1.00 0.00 C ATOM 103 C LYS A 7 1.441 -8.912 6.847 1.00 0.00 C ATOM 104 O LYS A 7 1.439 -7.703 6.809 1.00 0.00 O ATOM 105 CB LYS A 7 -0.507 -9.557 8.331 1.00 0.00 C ATOM 106 CG LYS A 7 -0.782 -8.082 8.671 1.00 0.00 C ATOM 107 CD LYS A 7 0.278 -7.511 9.623 1.00 0.00 C ATOM 108 CE LYS A 7 0.339 -8.322 10.931 1.00 0.00 C ATOM 109 NZ LYS A 7 1.713 -8.912 10.975 1.00 0.00 N ATOM 0 H LYS A 7 0.513 -11.710 7.395 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.564 -9.191 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.432 -10.131 8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.177 -9.987 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.801 -7.494 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.768 -7.992 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.254 -7.524 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.048 -6.469 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.158 -7.684 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.423 -9.101 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.730 -9.701 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.971 -9.261 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.394 -8.185 11.273 1.00 0.00 H new ATOM 123 N GLU A 8 2.586 -9.588 6.775 1.00 0.00 N ATOM 124 CA GLU A 8 3.874 -8.824 6.640 1.00 0.00 C ATOM 125 C GLU A 8 3.865 -8.151 5.277 1.00 0.00 C ATOM 126 O GLU A 8 4.216 -7.002 5.156 1.00 0.00 O ATOM 127 CB GLU A 8 5.035 -9.814 6.735 1.00 0.00 C ATOM 128 CG GLU A 8 5.247 -10.259 8.186 1.00 0.00 C ATOM 129 CD GLU A 8 5.533 -9.048 9.090 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.516 -8.362 8.849 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.753 -8.822 10.001 1.00 0.00 O ATOM 0 H GLU A 8 2.675 -10.604 6.804 1.00 0.00 H new ATOM 0 HA GLU A 8 3.982 -8.074 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.832 -10.683 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.946 -9.352 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.362 -10.785 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.078 -10.962 8.238 1.00 0.00 H new ATOM 138 N GLN A 9 3.378 -8.855 4.268 1.00 0.00 N ATOM 139 CA GLN A 9 3.234 -8.252 2.916 1.00 0.00 C ATOM 140 C GLN A 9 2.214 -7.107 3.025 1.00 0.00 C ATOM 141 O GLN A 9 2.378 -6.075 2.431 1.00 0.00 O ATOM 142 CB GLN A 9 2.674 -9.346 2.006 1.00 0.00 C ATOM 143 CG GLN A 9 3.635 -10.526 1.861 1.00 0.00 C ATOM 144 CD GLN A 9 2.935 -11.629 1.065 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.828 -11.547 -0.143 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.440 -12.663 1.692 1.00 0.00 N ATOM 0 H GLN A 9 3.076 -9.827 4.337 1.00 0.00 H new ATOM 0 HA GLN A 9 4.178 -7.871 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.725 -9.700 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.466 -8.926 1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.546 -10.212 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.930 -10.897 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.528 -12.735 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.966 -13.398 1.168 1.00 0.00 H new ATOM 155 N GLN A 10 1.177 -7.305 3.827 1.00 0.00 N ATOM 156 CA GLN A 10 0.125 -6.253 4.061 1.00 0.00 C ATOM 157 C GLN A 10 0.737 -5.041 4.772 1.00 0.00 C ATOM 158 O GLN A 10 0.540 -3.913 4.359 1.00 0.00 O ATOM 159 CB GLN A 10 -0.900 -6.938 4.973 1.00 0.00 C ATOM 160 CG GLN A 10 -2.302 -6.815 4.381 1.00 0.00 C ATOM 161 CD GLN A 10 -2.740 -8.136 3.740 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.102 -8.168 2.590 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.752 -9.235 4.451 1.00 0.00 N ATOM 0 H GLN A 10 1.017 -8.173 4.338 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.316 -5.889 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.641 -7.990 5.097 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.875 -6.485 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.008 -6.533 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.318 -6.021 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.447 -9.216 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.066 -10.110 4.032 1.00 0.00 H new ATOM 172 N ASN A 11 1.488 -5.279 5.831 1.00 0.00 N ATOM 173 CA ASN A 11 2.141 -4.164 6.584 1.00 0.00 C ATOM 174 C ASN A 11 3.236 -3.538 5.723 1.00 0.00 C ATOM 175 O ASN A 11 3.322 -2.340 5.627 1.00 0.00 O ATOM 176 CB ASN A 11 2.746 -4.803 7.842 1.00 0.00 C ATOM 177 CG ASN A 11 3.114 -3.705 8.845 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.257 -3.170 9.519 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.362 -3.333 8.966 1.00 0.00 N ATOM 0 H ASN A 11 1.674 -6.210 6.204 1.00 0.00 H new ATOM 0 HA ASN A 11 1.434 -3.376 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.033 -5.496 8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.631 -5.382 7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.613 -2.596 9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.084 -3.780 8.402 1.00 0.00 H new ATOM 186 N ALA A 12 4.052 -4.351 5.080 1.00 0.00 N ATOM 187 CA ALA A 12 5.129 -3.811 4.195 1.00 0.00 C ATOM 188 C ALA A 12 4.492 -3.057 3.031 1.00 0.00 C ATOM 189 O ALA A 12 4.924 -1.979 2.690 1.00 0.00 O ATOM 190 CB ALA A 12 5.903 -5.020 3.678 1.00 0.00 C ATOM 0 H ALA A 12 4.013 -5.369 5.135 1.00 0.00 H new ATOM 0 HA ALA A 12 5.787 -3.123 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.707 -4.684 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.326 -5.568 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.230 -5.672 3.122 1.00 0.00 H new ATOM 196 N PHE A 13 3.435 -3.610 2.454 1.00 0.00 N ATOM 197 CA PHE A 13 2.711 -2.921 1.341 1.00 0.00 C ATOM 198 C PHE A 13 2.217 -1.572 1.860 1.00 0.00 C ATOM 199 O PHE A 13 2.547 -0.537 1.316 1.00 0.00 O ATOM 200 CB PHE A 13 1.518 -3.845 0.984 1.00 0.00 C ATOM 201 CG PHE A 13 0.541 -3.131 0.092 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.980 -2.525 -1.082 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.814 -3.110 0.427 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.066 -1.898 -1.916 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.726 -2.475 -0.406 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.289 -1.872 -1.572 1.00 0.00 C ATOM 0 H PHE A 13 3.048 -4.517 2.716 1.00 0.00 H new ATOM 0 HA PHE A 13 3.335 -2.743 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.884 -4.743 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.016 -4.168 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.028 -2.543 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.153 -3.588 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.401 -1.430 -2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.774 -2.452 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.998 -1.379 -2.220 1.00 0.00 H new ATOM 216 N TYR A 14 1.458 -1.599 2.937 1.00 0.00 N ATOM 217 CA TYR A 14 0.935 -0.345 3.546 1.00 0.00 C ATOM 218 C TYR A 14 2.080 0.619 3.889 1.00 0.00 C ATOM 219 O TYR A 14 2.064 1.755 3.479 1.00 0.00 O ATOM 220 CB TYR A 14 0.254 -0.793 4.818 1.00 0.00 C ATOM 221 CG TYR A 14 -0.419 0.386 5.455 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.686 0.774 5.031 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.216 1.085 6.482 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.316 1.826 5.619 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.425 2.163 7.087 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.701 2.537 6.661 1.00 0.00 C ATOM 227 OH TYR A 14 -2.344 3.609 7.258 1.00 0.00 O ATOM 0 H TYR A 14 1.180 -2.453 3.420 1.00 0.00 H new ATOM 0 HA TYR A 14 0.266 0.184 2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.478 -1.571 4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.983 -1.225 5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.172 0.237 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.203 0.791 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.299 2.117 5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.063 2.707 7.882 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.310 4.385 6.660 1.00 0.00 H new ATOM 237 N GLU A 15 3.076 0.159 4.629 1.00 0.00 N ATOM 238 CA GLU A 15 4.229 1.049 4.995 1.00 0.00 C ATOM 239 C GLU A 15 4.882 1.580 3.721 1.00 0.00 C ATOM 240 O GLU A 15 5.178 2.745 3.646 1.00 0.00 O ATOM 241 CB GLU A 15 5.207 0.198 5.815 1.00 0.00 C ATOM 242 CG GLU A 15 4.613 -0.128 7.204 1.00 0.00 C ATOM 243 CD GLU A 15 4.249 1.161 7.961 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.137 1.969 8.189 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.089 1.306 8.309 1.00 0.00 O ATOM 0 H GLU A 15 3.135 -0.793 4.992 1.00 0.00 H new ATOM 0 HA GLU A 15 3.908 1.911 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.428 -0.727 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.150 0.731 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.725 -0.749 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.332 -0.705 7.785 1.00 0.00 H new ATOM 252 N ILE A 16 5.051 0.751 2.697 1.00 0.00 N ATOM 253 CA ILE A 16 5.625 1.259 1.394 1.00 0.00 C ATOM 254 C ILE A 16 4.764 2.429 0.892 1.00 0.00 C ATOM 255 O ILE A 16 5.271 3.507 0.645 1.00 0.00 O ATOM 256 CB ILE A 16 5.600 0.040 0.444 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.896 -0.736 0.681 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.491 0.456 -1.039 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.743 -2.175 0.218 1.00 0.00 C ATOM 0 H ILE A 16 4.819 -0.242 2.709 1.00 0.00 H new ATOM 0 HA ILE A 16 6.641 1.645 1.478 1.00 0.00 H new ATOM 0 HB ILE A 16 4.722 -0.570 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.716 -0.260 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.153 -0.713 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.477 -0.435 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.572 1.022 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.347 1.075 -1.307 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.674 -2.715 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.937 -2.652 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.509 -2.192 -0.846 1.00 0.00 H new ATOM 271 N LEU A 17 3.467 2.220 0.779 1.00 0.00 N ATOM 272 CA LEU A 17 2.534 3.325 0.323 1.00 0.00 C ATOM 273 C LEU A 17 2.554 4.519 1.308 1.00 0.00 C ATOM 274 O LEU A 17 2.469 5.663 0.896 1.00 0.00 O ATOM 275 CB LEU A 17 1.122 2.727 0.301 1.00 0.00 C ATOM 276 CG LEU A 17 1.051 1.547 -0.667 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.319 0.400 -0.020 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.266 1.904 -1.905 1.00 0.00 C ATOM 0 H LEU A 17 3.009 1.332 0.982 1.00 0.00 H new ATOM 0 HA LEU A 17 2.844 3.693 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.845 2.399 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.403 3.491 0.005 1.00 0.00 H new ATOM 0 HG LEU A 17 2.076 1.282 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.271 -0.439 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.848 0.094 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.692 0.714 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.233 1.045 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.749 2.185 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.747 2.741 -2.412 1.00 0.00 H new ATOM 290 N HIS A 18 2.649 4.248 2.601 1.00 0.00 N ATOM 291 CA HIS A 18 2.655 5.345 3.637 1.00 0.00 C ATOM 292 C HIS A 18 4.084 5.864 3.948 1.00 0.00 C ATOM 293 O HIS A 18 4.233 6.748 4.779 1.00 0.00 O ATOM 294 CB HIS A 18 2.026 4.717 4.902 1.00 0.00 C ATOM 295 CG HIS A 18 0.536 4.535 4.715 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.204 3.548 4.112 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.399 5.463 5.161 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.538 3.871 4.160 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.616 5.004 4.807 1.00 0.00 N flip ATOM 0 H HIS A 18 2.723 3.305 2.983 1.00 0.00 H new ATOM 0 HA HIS A 18 2.101 6.212 3.277 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.493 3.754 5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.215 5.355 5.765 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.180 2.702 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.189 6.380 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.358 3.303 3.746 1.00 0.00 H new ATOM 307 N LEU A 19 5.130 5.347 3.306 1.00 0.00 N ATOM 308 CA LEU A 19 6.523 5.847 3.599 1.00 0.00 C ATOM 309 C LEU A 19 6.646 7.299 3.089 1.00 0.00 C ATOM 310 O LEU A 19 6.373 7.564 1.928 1.00 0.00 O ATOM 311 CB LEU A 19 7.508 4.905 2.862 1.00 0.00 C ATOM 312 CG LEU A 19 8.011 3.796 3.817 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.905 2.803 3.057 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.819 4.412 4.970 1.00 0.00 C ATOM 0 H LEU A 19 5.074 4.611 2.602 1.00 0.00 H new ATOM 0 HA LEU A 19 6.745 5.846 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.015 4.455 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.354 5.478 2.482 1.00 0.00 H new ATOM 0 HG LEU A 19 7.143 3.273 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.252 2.028 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.335 2.345 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.763 3.331 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.167 3.621 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.677 4.950 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.187 5.103 5.528 1.00 0.00 H new ATOM 326 N PRO A 20 7.010 8.205 3.991 1.00 0.00 N ATOM 327 CA PRO A 20 7.114 9.656 3.641 1.00 0.00 C ATOM 328 C PRO A 20 8.233 9.981 2.628 1.00 0.00 C ATOM 329 O PRO A 20 8.232 11.063 2.065 1.00 0.00 O ATOM 330 CB PRO A 20 7.377 10.334 4.987 1.00 0.00 C ATOM 331 CG PRO A 20 7.984 9.272 5.839 1.00 0.00 C ATOM 332 CD PRO A 20 7.366 7.972 5.404 1.00 0.00 C ATOM 0 HA PRO A 20 6.209 10.002 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.050 11.184 4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.454 10.713 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.067 9.247 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.787 9.461 6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.065 7.142 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.488 7.727 6.002 1.00 0.00 H new ATOM 340 N ASN A 21 9.180 9.084 2.380 1.00 0.00 N ATOM 341 CA ASN A 21 10.264 9.404 1.396 1.00 0.00 C ATOM 342 C ASN A 21 10.313 8.387 0.241 1.00 0.00 C ATOM 343 O ASN A 21 11.255 8.389 -0.537 1.00 0.00 O ATOM 344 CB ASN A 21 11.553 9.401 2.214 1.00 0.00 C ATOM 345 CG ASN A 21 11.596 10.650 3.107 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.463 11.758 2.629 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.774 10.520 4.395 1.00 0.00 N ATOM 0 H ASN A 21 9.241 8.163 2.813 1.00 0.00 H new ATOM 0 HA ASN A 21 10.096 10.365 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.605 8.501 2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.417 9.386 1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.800 11.346 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.886 9.592 4.803 1.00 0.00 H new ATOM 354 N LEU A 22 9.293 7.555 0.085 1.00 0.00 N ATOM 355 CA LEU A 22 9.281 6.596 -1.061 1.00 0.00 C ATOM 356 C LEU A 22 8.613 7.282 -2.244 1.00 0.00 C ATOM 357 O LEU A 22 7.516 7.802 -2.128 1.00 0.00 O ATOM 358 CB LEU A 22 8.455 5.360 -0.628 1.00 0.00 C ATOM 359 CG LEU A 22 9.332 4.229 -0.028 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.800 2.876 -0.495 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.789 4.333 -0.472 1.00 0.00 C ATOM 0 H LEU A 22 8.481 7.507 0.701 1.00 0.00 H new ATOM 0 HA LEU A 22 10.288 6.289 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.711 5.666 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.911 4.973 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 22 9.287 4.327 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.414 2.079 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.770 2.755 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.836 2.827 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.364 3.521 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.844 4.264 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.201 5.289 -0.148 1.00 0.00 H new ATOM 373 N ASN A 23 9.255 7.268 -3.383 1.00 0.00 N ATOM 374 CA ASN A 23 8.639 7.905 -4.597 1.00 0.00 C ATOM 375 C ASN A 23 7.788 6.873 -5.327 1.00 0.00 C ATOM 376 O ASN A 23 7.696 5.734 -4.913 1.00 0.00 O ATOM 377 CB ASN A 23 9.768 8.440 -5.508 1.00 0.00 C ATOM 378 CG ASN A 23 10.905 7.427 -5.671 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.782 6.474 -6.407 1.00 0.00 O ATOM 380 ND2 ASN A 23 12.018 7.597 -5.006 1.00 0.00 N ATOM 0 H ASN A 23 10.173 6.848 -3.530 1.00 0.00 H new ATOM 0 HA ASN A 23 7.997 8.738 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.358 8.684 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.164 9.365 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.780 6.927 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.124 8.399 -4.385 1.00 0.00 H new ATOM 387 N GLU A 24 7.158 7.265 -6.399 1.00 0.00 N ATOM 388 CA GLU A 24 6.293 6.299 -7.154 1.00 0.00 C ATOM 389 C GLU A 24 7.139 5.149 -7.713 1.00 0.00 C ATOM 390 O GLU A 24 6.713 4.022 -7.706 1.00 0.00 O ATOM 391 CB GLU A 24 5.625 7.094 -8.289 1.00 0.00 C ATOM 392 CG GLU A 24 4.488 7.966 -7.727 1.00 0.00 C ATOM 393 CD GLU A 24 5.008 9.375 -7.407 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.146 10.160 -8.329 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.250 9.646 -6.242 1.00 0.00 O ATOM 0 H GLU A 24 7.200 8.207 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 24 5.540 5.854 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.364 7.722 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.231 6.409 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.675 8.026 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.080 7.508 -6.826 1.00 0.00 H new ATOM 402 N GLU A 25 8.344 5.411 -8.171 1.00 0.00 N ATOM 403 CA GLU A 25 9.189 4.288 -8.704 1.00 0.00 C ATOM 404 C GLU A 25 9.528 3.287 -7.579 1.00 0.00 C ATOM 405 O GLU A 25 9.455 2.089 -7.777 1.00 0.00 O ATOM 406 CB GLU A 25 10.461 4.949 -9.256 1.00 0.00 C ATOM 407 CG GLU A 25 11.360 3.893 -9.916 1.00 0.00 C ATOM 408 CD GLU A 25 12.725 4.511 -10.248 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.484 4.761 -9.323 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.986 4.723 -11.422 1.00 0.00 O ATOM 0 H GLU A 25 8.773 6.336 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 25 8.670 3.723 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.195 5.717 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.001 5.446 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.488 3.042 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.889 3.517 -10.824 1.00 0.00 H new ATOM 417 N GLN A 26 9.874 3.776 -6.401 1.00 0.00 N ATOM 418 CA GLN A 26 10.198 2.859 -5.255 1.00 0.00 C ATOM 419 C GLN A 26 8.913 2.246 -4.684 1.00 0.00 C ATOM 420 O GLN A 26 8.791 1.048 -4.597 1.00 0.00 O ATOM 421 CB GLN A 26 10.900 3.735 -4.200 1.00 0.00 C ATOM 422 CG GLN A 26 12.420 3.514 -4.268 1.00 0.00 C ATOM 423 CD GLN A 26 12.981 4.017 -5.608 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.297 5.177 -5.750 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.118 3.180 -6.602 1.00 0.00 N ATOM 0 H GLN A 26 9.945 4.771 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 26 10.833 2.031 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.668 4.786 -4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.531 3.487 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.906 4.037 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.644 2.454 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.853 2.202 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.490 3.505 -7.494 1.00 0.00 H new ATOM 434 N ARG A 27 7.965 3.065 -4.296 1.00 0.00 N ATOM 435 CA ARG A 27 6.676 2.557 -3.701 1.00 0.00 C ATOM 436 C ARG A 27 5.912 1.597 -4.651 1.00 0.00 C ATOM 437 O ARG A 27 5.363 0.605 -4.207 1.00 0.00 O ATOM 438 CB ARG A 27 5.820 3.814 -3.525 1.00 0.00 C ATOM 439 CG ARG A 27 4.835 3.668 -2.371 1.00 0.00 C ATOM 440 CD ARG A 27 4.568 5.050 -1.741 1.00 0.00 C ATOM 441 NE ARG A 27 4.253 5.965 -2.875 1.00 0.00 N ATOM 442 CZ ARG A 27 4.670 7.211 -2.866 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.597 7.932 -1.769 1.00 0.00 N ATOM 444 NH2 ARG A 27 5.129 7.741 -3.968 1.00 0.00 N ATOM 0 H ARG A 27 8.026 4.081 -4.365 1.00 0.00 H new ATOM 0 HA ARG A 27 6.878 2.003 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.467 4.673 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.274 4.014 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.902 3.234 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.236 2.987 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.739 5.003 -1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.439 5.401 -1.187 1.00 0.00 H new ATOM 0 HE ARG A 27 3.708 5.620 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.214 7.525 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.923 8.898 -1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.161 7.188 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.455 8.707 -3.972 1.00 0.00 H new ATOM 458 N ASN A 28 5.842 1.914 -5.942 1.00 0.00 N ATOM 459 CA ASN A 28 5.064 1.054 -6.917 1.00 0.00 C ATOM 460 C ASN A 28 5.829 -0.247 -7.208 1.00 0.00 C ATOM 461 O ASN A 28 5.283 -1.332 -7.088 1.00 0.00 O ATOM 462 CB ASN A 28 4.927 1.851 -8.242 1.00 0.00 C ATOM 463 CG ASN A 28 4.021 3.107 -8.183 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.081 3.966 -7.199 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 3.275 3.345 -9.115 1.00 0.00 N flip ATOM 0 H ASN A 28 6.291 2.730 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 28 4.090 0.806 -6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.922 2.159 -8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.538 1.181 -9.008 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.209 2.691 -9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.716 4.198 -9.116 1.00 0.00 H new ATOM 472 N ALA A 29 7.098 -0.136 -7.588 1.00 0.00 N ATOM 473 CA ALA A 29 7.929 -1.360 -7.888 1.00 0.00 C ATOM 474 C ALA A 29 8.023 -2.256 -6.649 1.00 0.00 C ATOM 475 O ALA A 29 8.087 -3.466 -6.757 1.00 0.00 O ATOM 476 CB ALA A 29 9.310 -0.838 -8.258 1.00 0.00 C ATOM 0 H ALA A 29 7.588 0.751 -7.702 1.00 0.00 H new ATOM 0 HA ALA A 29 7.491 -1.956 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.966 -1.677 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.232 -0.188 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.722 -0.274 -7.421 1.00 0.00 H new ATOM 482 N PHE A 30 8.001 -1.662 -5.473 1.00 0.00 N ATOM 483 CA PHE A 30 8.045 -2.455 -4.203 1.00 0.00 C ATOM 484 C PHE A 30 6.824 -3.346 -4.113 1.00 0.00 C ATOM 485 O PHE A 30 6.921 -4.498 -3.778 1.00 0.00 O ATOM 486 CB PHE A 30 8.018 -1.424 -3.094 1.00 0.00 C ATOM 487 CG PHE A 30 9.436 -1.113 -2.708 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.460 -0.996 -3.674 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.730 -0.981 -1.377 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.767 -0.760 -3.262 1.00 0.00 C ATOM 491 CE2 PHE A 30 11.016 -0.732 -0.986 1.00 0.00 C ATOM 492 CZ PHE A 30 12.036 -0.626 -1.912 1.00 0.00 C ATOM 0 H PHE A 30 7.954 -0.652 -5.342 1.00 0.00 H new ATOM 0 HA PHE A 30 8.925 -3.096 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.508 -0.520 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.465 -1.804 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.229 -1.089 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.948 -1.073 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.563 -0.682 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.238 -0.616 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.047 -0.438 -1.581 1.00 0.00 H new ATOM 502 N ILE A 31 5.686 -2.812 -4.463 1.00 0.00 N ATOM 503 CA ILE A 31 4.434 -3.615 -4.473 1.00 0.00 C ATOM 504 C ILE A 31 4.571 -4.734 -5.523 1.00 0.00 C ATOM 505 O ILE A 31 4.021 -5.797 -5.344 1.00 0.00 O ATOM 506 CB ILE A 31 3.337 -2.595 -4.780 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.217 -1.664 -3.568 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.027 -3.303 -5.018 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.486 -0.397 -3.956 1.00 0.00 C ATOM 0 H ILE A 31 5.571 -1.839 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 31 4.206 -4.128 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 31 3.584 -2.026 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.683 -2.169 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.209 -1.419 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.251 -2.569 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.130 -3.984 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.752 -3.868 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.406 0.257 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.037 0.114 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.488 -0.648 -4.314 1.00 0.00 H new ATOM 521 N GLN A 32 5.354 -4.528 -6.584 1.00 0.00 N ATOM 522 CA GLN A 32 5.568 -5.631 -7.588 1.00 0.00 C ATOM 523 C GLN A 32 6.447 -6.729 -6.941 1.00 0.00 C ATOM 524 O GLN A 32 6.107 -7.896 -6.981 1.00 0.00 O ATOM 525 CB GLN A 32 6.280 -4.999 -8.800 1.00 0.00 C ATOM 526 CG GLN A 32 5.436 -3.852 -9.373 1.00 0.00 C ATOM 527 CD GLN A 32 5.962 -3.463 -10.757 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.987 -2.820 -10.871 1.00 0.00 O ATOM 529 NE2 GLN A 32 5.300 -3.826 -11.823 1.00 0.00 N ATOM 0 H GLN A 32 5.842 -3.656 -6.787 1.00 0.00 H new ATOM 0 HA GLN A 32 4.630 -6.088 -7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.259 -4.625 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.448 -5.755 -9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.392 -4.156 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.473 -2.992 -8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.440 -4.366 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.644 -3.570 -12.749 1.00 0.00 H new ATOM 538 N SER A 33 7.547 -6.345 -6.300 1.00 0.00 N ATOM 539 CA SER A 33 8.437 -7.345 -5.593 1.00 0.00 C ATOM 540 C SER A 33 7.721 -7.933 -4.356 1.00 0.00 C ATOM 541 O SER A 33 7.954 -9.065 -3.981 1.00 0.00 O ATOM 542 CB SER A 33 9.704 -6.572 -5.191 1.00 0.00 C ATOM 543 OG SER A 33 9.357 -5.384 -4.494 1.00 0.00 O ATOM 0 H SER A 33 7.864 -5.378 -6.238 1.00 0.00 H new ATOM 0 HA SER A 33 8.682 -8.191 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.336 -7.199 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.284 -6.324 -6.080 1.00 0.00 H new ATOM 0 HG SER A 33 8.396 -5.387 -4.300 1.00 0.00 H new ATOM 549 N LEU A 34 6.858 -7.160 -3.737 1.00 0.00 N ATOM 550 CA LEU A 34 6.098 -7.615 -2.527 1.00 0.00 C ATOM 551 C LEU A 34 4.926 -8.544 -2.926 1.00 0.00 C ATOM 552 O LEU A 34 4.706 -9.560 -2.288 1.00 0.00 O ATOM 553 CB LEU A 34 5.618 -6.291 -1.900 1.00 0.00 C ATOM 554 CG LEU A 34 4.929 -6.504 -0.551 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.945 -6.847 0.521 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.225 -5.212 -0.153 1.00 0.00 C ATOM 0 H LEU A 34 6.644 -6.206 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 34 6.691 -8.209 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.470 -5.624 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.928 -5.797 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 34 4.218 -7.325 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.434 -6.994 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.470 -7.762 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.662 -6.032 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.729 -5.349 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.957 -4.409 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.485 -4.953 -0.910 1.00 0.00 H new ATOM 568 N LYS A 35 4.179 -8.203 -3.971 1.00 0.00 N ATOM 569 CA LYS A 35 3.017 -9.065 -4.414 1.00 0.00 C ATOM 570 C LYS A 35 3.524 -10.403 -4.985 1.00 0.00 C ATOM 571 O LYS A 35 2.888 -11.428 -4.806 1.00 0.00 O ATOM 572 CB LYS A 35 2.238 -8.244 -5.476 1.00 0.00 C ATOM 573 CG LYS A 35 1.118 -7.451 -4.811 1.00 0.00 C ATOM 574 CD LYS A 35 -0.198 -7.683 -5.560 1.00 0.00 C ATOM 575 CE LYS A 35 -1.365 -7.639 -4.559 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.744 -9.063 -4.313 1.00 0.00 N ATOM 0 H LYS A 35 4.327 -7.365 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 35 2.364 -9.317 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.917 -7.565 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.822 -8.912 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.013 -7.756 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.364 -6.389 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.333 -6.921 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.176 -8.647 -6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.067 -7.148 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.206 -7.075 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.346 -9.121 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.265 -9.430 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.885 -9.630 -4.166 1.00 0.00 H new ATOM 590 N ASP A 36 4.667 -10.400 -5.651 1.00 0.00 N ATOM 591 CA ASP A 36 5.228 -11.676 -6.218 1.00 0.00 C ATOM 592 C ASP A 36 6.090 -12.432 -5.179 1.00 0.00 C ATOM 593 O ASP A 36 6.162 -13.649 -5.219 1.00 0.00 O ATOM 594 CB ASP A 36 6.072 -11.247 -7.429 1.00 0.00 C ATOM 595 CG ASP A 36 5.147 -10.895 -8.603 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.795 -11.799 -9.344 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.801 -9.733 -8.741 1.00 0.00 O ATOM 0 H ASP A 36 5.232 -9.569 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 36 4.434 -12.367 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.689 -10.387 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.750 -12.051 -7.716 1.00 0.00 H new ATOM 602 N ASP A 37 6.739 -11.733 -4.252 1.00 0.00 N ATOM 603 CA ASP A 37 7.587 -12.429 -3.220 1.00 0.00 C ATOM 604 C ASP A 37 7.044 -12.165 -1.795 1.00 0.00 C ATOM 605 O ASP A 37 7.292 -11.113 -1.224 1.00 0.00 O ATOM 606 CB ASP A 37 9.003 -11.852 -3.383 1.00 0.00 C ATOM 607 CG ASP A 37 10.039 -12.868 -2.882 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.993 -13.213 -1.711 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.862 -13.283 -3.679 1.00 0.00 O ATOM 0 H ASP A 37 6.713 -10.716 -4.172 1.00 0.00 H new ATOM 0 HA ASP A 37 7.580 -13.510 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.190 -11.614 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.093 -10.921 -2.823 1.00 0.00 H new ATOM 614 N PRO A 38 6.308 -13.135 -1.269 1.00 0.00 N ATOM 615 CA PRO A 38 5.717 -13.011 0.099 1.00 0.00 C ATOM 616 C PRO A 38 6.780 -13.051 1.221 1.00 0.00 C ATOM 617 O PRO A 38 6.676 -12.318 2.188 1.00 0.00 O ATOM 618 CB PRO A 38 4.795 -14.229 0.191 1.00 0.00 C ATOM 619 CG PRO A 38 5.367 -15.219 -0.762 1.00 0.00 C ATOM 620 CD PRO A 38 5.947 -14.423 -1.892 1.00 0.00 C ATOM 0 HA PRO A 38 5.210 -12.056 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.768 -14.628 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.771 -13.970 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.133 -15.826 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.598 -15.903 -1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.818 -14.917 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.226 -14.289 -2.698 1.00 0.00 H new ATOM 628 N SER A 39 7.779 -13.913 1.113 1.00 0.00 N ATOM 629 CA SER A 39 8.836 -14.017 2.191 1.00 0.00 C ATOM 630 C SER A 39 9.724 -12.762 2.271 1.00 0.00 C ATOM 631 O SER A 39 10.186 -12.413 3.345 1.00 0.00 O ATOM 632 CB SER A 39 9.671 -15.259 1.839 1.00 0.00 C ATOM 633 OG SER A 39 10.333 -15.067 0.592 1.00 0.00 O ATOM 0 H SER A 39 7.908 -14.548 0.326 1.00 0.00 H new ATOM 0 HA SER A 39 8.371 -14.101 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.404 -15.448 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.027 -16.137 1.786 1.00 0.00 H new ATOM 0 HG SER A 39 9.875 -14.366 0.083 1.00 0.00 H new ATOM 639 N GLN A 40 9.955 -12.074 1.166 1.00 0.00 N ATOM 640 CA GLN A 40 10.805 -10.836 1.217 1.00 0.00 C ATOM 641 C GLN A 40 9.975 -9.597 1.606 1.00 0.00 C ATOM 642 O GLN A 40 10.487 -8.502 1.567 1.00 0.00 O ATOM 643 CB GLN A 40 11.378 -10.658 -0.204 1.00 0.00 C ATOM 644 CG GLN A 40 12.793 -10.075 -0.124 1.00 0.00 C ATOM 645 CD GLN A 40 13.794 -11.191 0.204 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.181 -11.948 -0.663 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.227 -11.335 1.429 1.00 0.00 N ATOM 0 H GLN A 40 9.594 -12.316 0.243 1.00 0.00 H new ATOM 0 HA GLN A 40 11.588 -10.938 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.399 -11.618 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.735 -9.997 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.057 -9.603 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.835 -9.299 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.905 -10.702 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.887 -12.080 1.652 1.00 0.00 H new ATOM 656 N SER A 41 8.705 -9.747 1.961 1.00 0.00 N ATOM 657 CA SER A 41 7.858 -8.552 2.312 1.00 0.00 C ATOM 658 C SER A 41 8.449 -7.724 3.459 1.00 0.00 C ATOM 659 O SER A 41 8.525 -6.515 3.341 1.00 0.00 O ATOM 660 CB SER A 41 6.482 -9.105 2.693 1.00 0.00 C ATOM 661 OG SER A 41 6.590 -9.955 3.833 1.00 0.00 O ATOM 0 H SER A 41 8.225 -10.645 2.021 1.00 0.00 H new ATOM 0 HA SER A 41 7.803 -7.870 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.798 -8.283 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.061 -9.660 1.855 1.00 0.00 H new ATOM 0 HG SER A 41 6.638 -10.889 3.541 1.00 0.00 H new ATOM 667 N ALA A 42 8.889 -8.334 4.548 1.00 0.00 N ATOM 668 CA ALA A 42 9.505 -7.503 5.646 1.00 0.00 C ATOM 669 C ALA A 42 10.749 -6.803 5.098 1.00 0.00 C ATOM 670 O ALA A 42 10.923 -5.618 5.289 1.00 0.00 O ATOM 671 CB ALA A 42 9.931 -8.462 6.725 1.00 0.00 C ATOM 0 H ALA A 42 8.850 -9.339 4.720 1.00 0.00 H new ATOM 0 HA ALA A 42 8.803 -6.759 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.385 -7.907 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.061 -9.007 7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.656 -9.168 6.319 1.00 0.00 H new ATOM 677 N ASN A 43 11.585 -7.537 4.370 1.00 0.00 N ATOM 678 CA ASN A 43 12.797 -6.929 3.730 1.00 0.00 C ATOM 679 C ASN A 43 12.355 -5.809 2.807 1.00 0.00 C ATOM 680 O ASN A 43 13.020 -4.818 2.696 1.00 0.00 O ATOM 681 CB ASN A 43 13.428 -8.017 2.872 1.00 0.00 C ATOM 682 CG ASN A 43 14.756 -8.480 3.482 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.771 -8.481 2.817 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.797 -8.879 4.728 1.00 0.00 N ATOM 0 H ASN A 43 11.469 -8.536 4.197 1.00 0.00 H new ATOM 0 HA ASN A 43 13.487 -6.544 4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.746 -8.863 2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.596 -7.641 1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.679 -9.189 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.947 -8.880 5.291 1.00 0.00 H new ATOM 691 N LEU A 44 11.220 -5.988 2.149 1.00 0.00 N ATOM 692 CA LEU A 44 10.689 -4.943 1.229 1.00 0.00 C ATOM 693 C LEU A 44 10.302 -3.729 2.006 1.00 0.00 C ATOM 694 O LEU A 44 10.630 -2.630 1.610 1.00 0.00 O ATOM 695 CB LEU A 44 9.496 -5.551 0.532 1.00 0.00 C ATOM 696 CG LEU A 44 10.035 -6.452 -0.548 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.890 -7.243 -1.137 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.719 -5.580 -1.596 1.00 0.00 C ATOM 0 H LEU A 44 10.643 -6.826 2.219 1.00 0.00 H new ATOM 0 HA LEU A 44 11.436 -4.630 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.883 -6.115 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.860 -4.775 0.106 1.00 0.00 H new ATOM 0 HG LEU A 44 10.765 -7.159 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.267 -7.900 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.422 -7.842 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.154 -6.559 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.118 -6.211 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.996 -4.882 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.533 -5.023 -1.131 1.00 0.00 H new ATOM 710 N LEU A 45 9.674 -3.899 3.144 1.00 0.00 N ATOM 711 CA LEU A 45 9.392 -2.694 3.948 1.00 0.00 C ATOM 712 C LEU A 45 10.736 -2.164 4.431 1.00 0.00 C ATOM 713 O LEU A 45 11.002 -1.021 4.274 1.00 0.00 O ATOM 714 CB LEU A 45 8.496 -3.104 5.100 1.00 0.00 C ATOM 715 CG LEU A 45 8.476 -2.005 6.177 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.200 -0.630 5.543 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.388 -2.339 7.189 1.00 0.00 C ATOM 0 H LEU A 45 9.359 -4.788 3.531 1.00 0.00 H new ATOM 0 HA LEU A 45 8.882 -1.912 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.484 -3.285 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.852 -4.039 5.532 1.00 0.00 H new ATOM 0 HG LEU A 45 9.447 -1.961 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.190 0.134 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.981 -0.400 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.233 -0.649 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.360 -1.569 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.423 -2.382 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.602 -3.305 7.647 1.00 0.00 H new ATOM 729 N ALA A 46 11.599 -3.007 4.966 1.00 0.00 N ATOM 730 CA ALA A 46 12.958 -2.531 5.422 1.00 0.00 C ATOM 731 C ALA A 46 13.690 -1.793 4.304 1.00 0.00 C ATOM 732 O ALA A 46 14.256 -0.758 4.543 1.00 0.00 O ATOM 733 CB ALA A 46 13.755 -3.788 5.722 1.00 0.00 C ATOM 0 H ALA A 46 11.423 -4.002 5.107 1.00 0.00 H new ATOM 0 HA ALA A 46 12.851 -1.859 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.755 -3.513 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.253 -4.359 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.830 -4.395 4.820 1.00 0.00 H new ATOM 739 N GLU A 47 13.677 -2.312 3.087 1.00 0.00 N ATOM 740 CA GLU A 47 14.358 -1.594 1.969 1.00 0.00 C ATOM 741 C GLU A 47 13.560 -0.324 1.679 1.00 0.00 C ATOM 742 O GLU A 47 14.137 0.703 1.410 1.00 0.00 O ATOM 743 CB GLU A 47 14.470 -2.544 0.765 1.00 0.00 C ATOM 744 CG GLU A 47 13.128 -3.017 0.278 1.00 0.00 C ATOM 745 CD GLU A 47 13.336 -4.001 -0.875 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.691 -5.138 -0.597 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.139 -3.604 -2.012 1.00 0.00 O ATOM 0 H GLU A 47 13.228 -3.191 2.831 1.00 0.00 H new ATOM 0 HA GLU A 47 15.375 -1.294 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.989 -2.036 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.077 -3.406 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.581 -3.497 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.528 -2.170 -0.053 1.00 0.00 H new ATOM 754 N ALA A 48 12.235 -0.364 1.788 1.00 0.00 N ATOM 755 CA ALA A 48 11.432 0.880 1.604 1.00 0.00 C ATOM 756 C ALA A 48 11.756 1.857 2.756 1.00 0.00 C ATOM 757 O ALA A 48 11.894 3.040 2.543 1.00 0.00 O ATOM 758 CB ALA A 48 9.987 0.399 1.674 1.00 0.00 C ATOM 0 H ALA A 48 11.693 -1.203 1.995 1.00 0.00 H new ATOM 0 HA ALA A 48 11.636 1.407 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.315 1.248 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.807 -0.327 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.805 -0.068 2.642 1.00 0.00 H new ATOM 764 N LYS A 49 11.941 1.331 3.963 1.00 0.00 N ATOM 765 CA LYS A 49 12.335 2.146 5.156 1.00 0.00 C ATOM 766 C LYS A 49 13.757 2.668 4.902 1.00 0.00 C ATOM 767 O LYS A 49 14.089 3.804 5.172 1.00 0.00 O ATOM 768 CB LYS A 49 12.342 1.125 6.316 1.00 0.00 C ATOM 769 CG LYS A 49 10.920 0.667 6.676 1.00 0.00 C ATOM 770 CD LYS A 49 10.057 1.849 7.078 1.00 0.00 C ATOM 771 CE LYS A 49 10.594 2.438 8.380 1.00 0.00 C ATOM 772 NZ LYS A 49 10.714 3.911 8.142 1.00 0.00 N ATOM 0 H LYS A 49 11.828 0.337 4.163 1.00 0.00 H new ATOM 0 HA LYS A 49 11.681 2.993 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.943 0.260 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.814 1.571 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.471 0.157 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.961 -0.053 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.064 2.604 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.022 1.533 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.920 2.230 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.560 2.003 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.078 4.373 9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.368 4.083 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.779 4.302 7.908 1.00 0.00 H new ATOM 786 N LYS A 50 14.566 1.803 4.323 1.00 0.00 N ATOM 787 CA LYS A 50 15.974 2.125 3.938 1.00 0.00 C ATOM 788 C LYS A 50 15.946 3.229 2.868 1.00 0.00 C ATOM 789 O LYS A 50 16.710 4.172 2.929 1.00 0.00 O ATOM 790 CB LYS A 50 16.489 0.771 3.398 1.00 0.00 C ATOM 791 CG LYS A 50 17.664 0.913 2.423 1.00 0.00 C ATOM 792 CD LYS A 50 17.616 -0.266 1.435 1.00 0.00 C ATOM 793 CE LYS A 50 18.017 -1.569 2.151 1.00 0.00 C ATOM 794 NZ LYS A 50 18.117 -2.600 1.074 1.00 0.00 N ATOM 0 H LYS A 50 14.289 0.848 4.095 1.00 0.00 H new ATOM 0 HA LYS A 50 16.611 2.504 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.796 0.146 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.671 0.253 2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.601 1.860 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.609 0.916 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.613 -0.363 1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.290 -0.078 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.967 -1.454 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.275 -1.851 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.387 -3.513 1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.197 -2.695 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.837 -2.310 0.381 1.00 0.00 H new ATOM 808 N LEU A 51 15.024 3.129 1.922 1.00 0.00 N ATOM 809 CA LEU A 51 14.878 4.185 0.870 1.00 0.00 C ATOM 810 C LEU A 51 14.291 5.440 1.518 1.00 0.00 C ATOM 811 O LEU A 51 14.657 6.545 1.191 1.00 0.00 O ATOM 812 CB LEU A 51 13.885 3.610 -0.158 1.00 0.00 C ATOM 813 CG LEU A 51 14.580 2.888 -1.327 1.00 0.00 C ATOM 814 CD1 LEU A 51 16.016 2.492 -0.989 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.807 1.630 -1.651 1.00 0.00 C ATOM 0 H LEU A 51 14.367 2.353 1.841 1.00 0.00 H new ATOM 0 HA LEU A 51 15.827 4.448 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.213 2.914 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.269 4.419 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 51 14.605 3.575 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.465 1.986 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.594 3.385 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.016 1.822 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.290 1.109 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.786 0.980 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.787 1.892 -1.933 1.00 0.00 H new ATOM 827 N ASN A 52 13.386 5.246 2.452 1.00 0.00 N ATOM 828 CA ASN A 52 12.745 6.372 3.185 1.00 0.00 C ATOM 829 C ASN A 52 13.822 7.219 3.898 1.00 0.00 C ATOM 830 O ASN A 52 13.792 8.431 3.840 1.00 0.00 O ATOM 831 CB ASN A 52 11.786 5.664 4.176 1.00 0.00 C ATOM 832 CG ASN A 52 11.593 6.476 5.455 1.00 0.00 C ATOM 833 OD1 ASN A 52 12.191 6.187 6.471 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.773 7.474 5.448 1.00 0.00 N ATOM 0 H ASN A 52 13.061 4.323 2.740 1.00 0.00 H new ATOM 0 HA ASN A 52 12.209 7.072 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.820 5.505 3.697 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.183 4.680 4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.627 8.020 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.271 7.716 4.594 1.00 0.00 H new ATOM 841 N ASP A 53 14.777 6.581 4.545 1.00 0.00 N ATOM 842 CA ASP A 53 15.870 7.346 5.245 1.00 0.00 C ATOM 843 C ASP A 53 16.950 7.811 4.246 1.00 0.00 C ATOM 844 O ASP A 53 17.459 8.912 4.353 1.00 0.00 O ATOM 845 CB ASP A 53 16.475 6.380 6.275 1.00 0.00 C ATOM 846 CG ASP A 53 15.428 5.988 7.336 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.804 6.878 7.899 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.278 4.802 7.577 1.00 0.00 O ATOM 0 H ASP A 53 14.847 5.566 4.619 1.00 0.00 H new ATOM 0 HA ASP A 53 15.474 8.244 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.841 5.486 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.333 6.847 6.759 1.00 0.00 H new ATOM 853 N ALA A 54 17.295 6.978 3.275 1.00 0.00 N ATOM 854 CA ALA A 54 18.339 7.363 2.256 1.00 0.00 C ATOM 855 C ALA A 54 17.816 8.496 1.354 1.00 0.00 C ATOM 856 O ALA A 54 18.521 9.456 1.090 1.00 0.00 O ATOM 857 CB ALA A 54 18.594 6.095 1.433 1.00 0.00 C ATOM 0 H ALA A 54 16.896 6.048 3.147 1.00 0.00 H new ATOM 0 HA ALA A 54 19.251 7.728 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.345 6.301 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.951 5.301 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.667 5.780 0.954 1.00 0.00 H new ATOM 863 N GLN A 55 16.577 8.399 0.915 1.00 0.00 N ATOM 864 CA GLN A 55 15.965 9.472 0.056 1.00 0.00 C ATOM 865 C GLN A 55 15.321 10.579 0.932 1.00 0.00 C ATOM 866 O GLN A 55 14.695 11.489 0.414 1.00 0.00 O ATOM 867 CB GLN A 55 14.889 8.772 -0.791 1.00 0.00 C ATOM 868 CG GLN A 55 15.525 7.667 -1.655 1.00 0.00 C ATOM 869 CD GLN A 55 14.449 6.993 -2.510 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.592 6.889 -3.711 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.370 6.529 -1.941 1.00 0.00 N ATOM 0 H GLN A 55 15.958 7.614 1.118 1.00 0.00 H new ATOM 0 HA GLN A 55 16.718 9.956 -0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.127 8.342 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.389 9.500 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.297 8.093 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.011 6.929 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.248 6.615 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.649 6.080 -2.505 1.00 0.00 H new ATOM 880 N ALA A 56 15.467 10.507 2.255 1.00 0.00 N ATOM 881 CA ALA A 56 14.867 11.547 3.159 1.00 0.00 C ATOM 882 C ALA A 56 15.584 12.892 3.011 1.00 0.00 C ATOM 883 O ALA A 56 16.720 12.946 2.566 1.00 0.00 O ATOM 884 CB ALA A 56 15.052 11.032 4.591 1.00 0.00 C ATOM 0 H ALA A 56 15.978 9.768 2.737 1.00 0.00 H new ATOM 0 HA ALA A 56 13.818 11.706 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.632 11.752 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.541 10.076 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.115 10.902 4.796 1.00 0.00 H new ATOM 890 N PRO A 57 14.890 13.941 3.408 1.00 0.00 N ATOM 891 CA PRO A 57 15.467 15.303 3.332 1.00 0.00 C ATOM 892 C PRO A 57 16.573 15.486 4.389 1.00 0.00 C ATOM 893 O PRO A 57 16.518 14.909 5.464 1.00 0.00 O ATOM 894 CB PRO A 57 14.276 16.215 3.602 1.00 0.00 C ATOM 895 CG PRO A 57 13.325 15.383 4.396 1.00 0.00 C ATOM 896 CD PRO A 57 13.518 13.960 3.952 1.00 0.00 C ATOM 0 HA PRO A 57 15.942 15.515 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.578 17.105 4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.821 16.556 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.521 15.485 5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.297 15.704 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.408 13.264 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.785 13.674 3.198 1.00 0.00 H new ATOM 904 N LYS A 58 17.576 16.279 4.076 1.00 0.00 N ATOM 905 CA LYS A 58 18.706 16.514 5.039 1.00 0.00 C ATOM 906 C LYS A 58 18.865 18.018 5.326 1.00 0.00 C ATOM 907 O LYS A 58 18.952 18.789 4.378 1.00 0.00 O ATOM 908 CB LYS A 58 19.971 15.951 4.352 1.00 0.00 C ATOM 909 CG LYS A 58 19.794 14.462 4.015 1.00 0.00 C ATOM 910 CD LYS A 58 19.752 13.650 5.311 1.00 0.00 C ATOM 911 CE LYS A 58 19.795 12.147 4.992 1.00 0.00 C ATOM 912 NZ LYS A 58 18.377 11.744 4.742 1.00 0.00 N ATOM 913 OXT LYS A 58 18.896 18.372 6.492 1.00 0.00 O ATOM 0 H LYS A 58 17.660 16.776 3.189 1.00 0.00 H new ATOM 0 HA LYS A 58 18.525 16.027 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.175 16.513 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.833 16.080 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.874 14.313 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.615 14.120 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 58 20.596 13.920 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.845 13.886 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.417 11.950 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.222 11.583 5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.333 10.719 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.797 11.980 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.013 12.252 3.910 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -8.320 -13.774 -13.923 1.00 0.00 N ATOM 929 CA VAL B 1 -7.189 -14.359 -14.721 1.00 0.00 C ATOM 930 C VAL B 1 -5.835 -13.888 -14.145 1.00 0.00 C ATOM 931 O VAL B 1 -5.004 -14.701 -13.780 1.00 0.00 O ATOM 932 CB VAL B 1 -7.384 -13.859 -16.173 1.00 0.00 C ATOM 933 CG1 VAL B 1 -6.177 -14.254 -17.038 1.00 0.00 C ATOM 934 CG2 VAL B 1 -8.650 -14.490 -16.775 1.00 0.00 C ATOM 0 H1 VAL B 1 -9.168 -14.364 -14.039 1.00 0.00 H new ATOM 0 H2 VAL B 1 -8.055 -13.742 -12.918 1.00 0.00 H new ATOM 0 H3 VAL B 1 -8.520 -12.810 -14.259 1.00 0.00 H new ATOM 0 HA VAL B 1 -7.187 -15.448 -14.684 1.00 0.00 H new ATOM 0 HB VAL B 1 -7.480 -12.773 -16.155 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -6.327 -13.896 -18.057 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -5.272 -13.807 -16.626 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -6.075 -15.339 -17.046 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -8.783 -14.135 -17.797 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -8.549 -15.575 -16.778 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -9.517 -14.208 -16.177 1.00 0.00 H new ATOM 946 N ASP B 2 -5.615 -12.586 -14.063 1.00 0.00 N ATOM 947 CA ASP B 2 -4.320 -12.063 -13.512 1.00 0.00 C ATOM 948 C ASP B 2 -4.365 -12.006 -11.979 1.00 0.00 C ATOM 949 O ASP B 2 -5.226 -11.370 -11.395 1.00 0.00 O ATOM 950 CB ASP B 2 -4.151 -10.651 -14.101 1.00 0.00 C ATOM 951 CG ASP B 2 -2.816 -10.048 -13.631 1.00 0.00 C ATOM 952 OD1 ASP B 2 -1.797 -10.383 -14.213 1.00 0.00 O ATOM 953 OD2 ASP B 2 -2.837 -9.266 -12.691 1.00 0.00 O ATOM 0 H ASP B 2 -6.279 -11.869 -14.355 1.00 0.00 H new ATOM 0 HA ASP B 2 -3.485 -12.711 -13.778 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -4.177 -10.695 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -4.979 -10.015 -13.788 1.00 0.00 H new ATOM 958 N ASN B 3 -3.418 -12.652 -11.333 1.00 0.00 N ATOM 959 CA ASN B 3 -3.354 -12.631 -9.830 1.00 0.00 C ATOM 960 C ASN B 3 -2.125 -11.824 -9.363 1.00 0.00 C ATOM 961 O ASN B 3 -1.527 -12.109 -8.336 1.00 0.00 O ATOM 962 CB ASN B 3 -3.272 -14.114 -9.398 1.00 0.00 C ATOM 963 CG ASN B 3 -1.965 -14.763 -9.897 1.00 0.00 C ATOM 964 OD1 ASN B 3 -1.841 -15.086 -11.062 1.00 0.00 O ATOM 965 ND2 ASN B 3 -0.978 -14.959 -9.063 1.00 0.00 N ATOM 0 H ASN B 3 -2.682 -13.196 -11.784 1.00 0.00 H new ATOM 0 HA ASN B 3 -4.222 -12.148 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -3.325 -14.184 -8.312 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -4.128 -14.660 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -0.109 -15.381 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -1.076 -14.690 -8.084 1.00 0.00 H new ATOM 972 N LYS B 4 -1.758 -10.814 -10.124 1.00 0.00 N ATOM 973 CA LYS B 4 -0.575 -9.959 -9.781 1.00 0.00 C ATOM 974 C LYS B 4 -0.867 -8.489 -10.142 1.00 0.00 C ATOM 975 O LYS B 4 -0.205 -7.900 -10.983 1.00 0.00 O ATOM 976 CB LYS B 4 0.579 -10.518 -10.636 1.00 0.00 C ATOM 977 CG LYS B 4 0.975 -11.919 -10.149 1.00 0.00 C ATOM 978 CD LYS B 4 2.130 -12.465 -10.997 1.00 0.00 C ATOM 979 CE LYS B 4 1.636 -12.808 -12.416 1.00 0.00 C ATOM 980 NZ LYS B 4 0.875 -14.093 -12.289 1.00 0.00 N ATOM 0 H LYS B 4 -2.238 -10.544 -10.982 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.335 -9.981 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.277 -10.562 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.438 -9.850 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.271 -11.878 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.118 -12.590 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.930 -11.727 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.548 -13.354 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.000 -12.015 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.474 -12.917 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.793 -14.542 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.378 -14.732 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -0.075 -13.898 -11.914 1.00 0.00 H new ATOM 994 N PHE B 5 -1.854 -7.890 -9.503 1.00 0.00 N ATOM 995 CA PHE B 5 -2.199 -6.462 -9.790 1.00 0.00 C ATOM 996 C PHE B 5 -1.391 -5.522 -8.869 1.00 0.00 C ATOM 997 O PHE B 5 -1.939 -4.672 -8.187 1.00 0.00 O ATOM 998 CB PHE B 5 -3.709 -6.359 -9.527 1.00 0.00 C ATOM 999 CG PHE B 5 -4.479 -6.765 -10.765 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.475 -5.941 -11.898 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.201 -7.964 -10.779 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.187 -6.315 -13.040 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.916 -8.339 -11.921 1.00 0.00 C ATOM 1004 CZ PHE B 5 -5.908 -7.514 -13.053 1.00 0.00 C ATOM 0 H PHE B 5 -2.435 -8.336 -8.793 1.00 0.00 H new ATOM 0 HA PHE B 5 -1.955 -6.166 -10.810 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.985 -7.001 -8.690 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.969 -5.338 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.920 -5.014 -11.888 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -5.206 -8.601 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.181 -5.679 -13.913 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.474 -9.264 -11.930 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.458 -7.803 -13.936 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.077 -5.674 -8.865 1.00 0.00 N ATOM 1015 CA ASN B 6 0.809 -4.795 -8.012 1.00 0.00 C ATOM 1016 C ASN B 6 0.764 -3.340 -8.502 1.00 0.00 C ATOM 1017 O ASN B 6 0.725 -2.415 -7.712 1.00 0.00 O ATOM 1018 CB ASN B 6 2.252 -5.366 -8.069 1.00 0.00 C ATOM 1019 CG ASN B 6 2.636 -5.878 -9.475 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.613 -5.139 -10.438 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.993 -7.126 -9.627 1.00 0.00 N ATOM 0 H ASN B 6 0.421 -6.371 -9.418 1.00 0.00 H new ATOM 0 HA ASN B 6 0.457 -4.793 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.957 -4.592 -7.764 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.344 -6.182 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.250 -7.474 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.014 -7.752 -8.822 1.00 0.00 H new ATOM 1028 N LYS B 7 0.723 -3.142 -9.798 1.00 0.00 N ATOM 1029 CA LYS B 7 0.629 -1.751 -10.368 1.00 0.00 C ATOM 1030 C LYS B 7 -0.652 -1.070 -9.877 1.00 0.00 C ATOM 1031 O LYS B 7 -0.680 0.123 -9.641 1.00 0.00 O ATOM 1032 CB LYS B 7 0.591 -1.921 -11.893 1.00 0.00 C ATOM 1033 CG LYS B 7 1.942 -2.438 -12.403 1.00 0.00 C ATOM 1034 CD LYS B 7 1.930 -2.481 -13.935 1.00 0.00 C ATOM 1035 CE LYS B 7 3.222 -3.132 -14.449 1.00 0.00 C ATOM 1036 NZ LYS B 7 4.238 -2.036 -14.505 1.00 0.00 N ATOM 0 H LYS B 7 0.751 -3.887 -10.494 1.00 0.00 H new ATOM 0 HA LYS B 7 1.470 -1.130 -10.058 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.201 -2.618 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.356 -0.968 -12.367 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.746 -1.791 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.137 -3.433 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.065 -3.044 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.837 -1.471 -14.335 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.547 -3.933 -13.785 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.071 -3.576 -15.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 5.142 -2.418 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 3.909 -1.290 -15.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 4.370 -1.636 -13.554 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.700 -1.842 -9.705 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.992 -1.282 -9.202 1.00 0.00 C ATOM 1052 C GLU B 8 -2.873 -0.846 -7.747 1.00 0.00 C ATOM 1053 O GLU B 8 -3.473 0.124 -7.361 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.024 -2.409 -9.342 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.991 -2.092 -10.484 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.337 -2.788 -10.238 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.371 -4.010 -10.245 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.315 -2.085 -10.047 1.00 0.00 O ATOM 0 H GLU B 8 -1.713 -2.844 -9.894 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.282 -0.397 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.518 -3.355 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.575 -2.527 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.137 -1.015 -10.559 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.568 -2.423 -11.432 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.081 -1.529 -6.949 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.915 -1.104 -5.517 1.00 0.00 C ATOM 1067 C LEU B 9 -1.064 0.153 -5.446 1.00 0.00 C ATOM 1068 O LEU B 9 -1.193 0.940 -4.534 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.183 -2.189 -4.751 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.697 -3.588 -5.061 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.652 -4.591 -4.556 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -3.037 -3.781 -4.337 1.00 0.00 C ATOM 0 H LEU B 9 -1.547 -2.354 -7.223 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.902 -0.923 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.120 -2.138 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.282 -2.001 -3.682 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.852 -3.736 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.992 -5.606 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.296 -4.415 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.517 -4.466 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.423 -4.779 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.890 -3.667 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.750 -3.035 -4.687 1.00 0.00 H new ATOM 1084 N SER B 10 -0.201 0.348 -6.410 1.00 0.00 N ATOM 1085 CA SER B 10 0.643 1.564 -6.425 1.00 0.00 C ATOM 1086 C SER B 10 -0.292 2.789 -6.507 1.00 0.00 C ATOM 1087 O SER B 10 -0.164 3.739 -5.741 1.00 0.00 O ATOM 1088 CB SER B 10 1.484 1.413 -7.683 1.00 0.00 C ATOM 1089 OG SER B 10 2.297 0.248 -7.579 1.00 0.00 O ATOM 0 H SER B 10 -0.049 -0.292 -7.190 1.00 0.00 H new ATOM 0 HA SER B 10 1.273 1.692 -5.545 1.00 0.00 H new ATOM 0 HB2 SER B 10 0.838 1.340 -8.558 1.00 0.00 H new ATOM 0 HB3 SER B 10 2.110 2.294 -7.822 1.00 0.00 H new ATOM 0 HG SER B 10 1.760 -0.545 -7.786 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.271 2.728 -7.402 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.265 3.847 -7.558 1.00 0.00 C ATOM 1097 C VAL B 11 -3.412 3.701 -6.539 1.00 0.00 C ATOM 1098 O VAL B 11 -3.666 4.599 -5.759 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.796 3.726 -9.006 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.590 4.983 -9.371 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.628 3.559 -9.995 1.00 0.00 C ATOM 0 H VAL B 11 -1.419 1.941 -8.033 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.811 4.821 -7.376 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.442 2.850 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.963 4.894 -10.392 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.431 5.094 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.943 5.857 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.019 3.475 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.970 4.425 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.067 2.658 -9.747 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.097 2.567 -6.547 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.237 2.327 -5.586 1.00 0.00 C ATOM 1113 C ALA B 12 -4.764 2.394 -4.142 1.00 0.00 C ATOM 1114 O ALA B 12 -5.387 3.012 -3.309 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.755 0.910 -5.891 1.00 0.00 C ATOM 0 H ALA B 12 -3.911 1.793 -7.184 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.009 3.087 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.585 0.675 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.095 0.862 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.952 0.189 -5.739 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.661 1.763 -3.864 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.098 1.738 -2.492 1.00 0.00 C ATOM 1123 C GLY B 13 -2.710 3.126 -2.038 1.00 0.00 C ATOM 1124 O GLY B 13 -3.165 3.569 -1.002 1.00 0.00 O ATOM 0 H GLY B 13 -3.112 1.249 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.830 1.318 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.225 1.086 -2.466 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.856 3.808 -2.777 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.430 5.169 -2.317 1.00 0.00 C ATOM 1130 C ARG B 14 -2.608 6.164 -2.244 1.00 0.00 C ATOM 1131 O ARG B 14 -2.664 6.972 -1.332 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.370 5.671 -3.278 1.00 0.00 C ATOM 1133 CG ARG B 14 0.111 7.029 -2.755 1.00 0.00 C ATOM 1134 CD ARG B 14 1.591 7.208 -3.018 1.00 0.00 C ATOM 1135 NE ARG B 14 1.771 7.021 -4.496 1.00 0.00 N ATOM 1136 CZ ARG B 14 1.501 7.997 -5.328 1.00 0.00 C ATOM 1137 NH1 ARG B 14 0.412 7.946 -6.059 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.313 9.023 -5.429 1.00 0.00 N ATOM 0 H ARG B 14 -1.447 3.488 -3.655 1.00 0.00 H new ATOM 0 HA ARG B 14 -1.035 5.093 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.459 4.966 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.778 5.769 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -0.449 7.830 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.085 7.103 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.927 8.197 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.178 6.480 -2.458 1.00 0.00 H new ATOM 0 HE ARG B 14 2.106 6.127 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -0.220 7.149 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG B 14 0.197 8.703 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.158 9.063 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.099 9.781 -6.078 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.545 6.122 -3.170 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.708 7.075 -3.086 1.00 0.00 C ATOM 1154 C GLU B 15 -5.517 6.751 -1.817 1.00 0.00 C ATOM 1155 O GLU B 15 -5.907 7.641 -1.090 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.532 6.864 -4.354 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.797 7.446 -5.578 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.545 8.951 -5.391 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.510 9.687 -5.241 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.389 9.336 -5.393 1.00 0.00 O ATOM 0 H GLU B 15 -3.557 5.483 -3.965 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.397 8.118 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.714 5.800 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.506 7.342 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.849 6.928 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.389 7.280 -6.478 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.691 5.471 -1.514 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.384 5.048 -0.245 1.00 0.00 C ATOM 1169 C ILE B 16 -5.486 5.437 0.968 1.00 0.00 C ATOM 1170 O ILE B 16 -5.970 5.733 2.042 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.564 3.515 -0.379 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.615 3.229 -1.468 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.043 2.907 0.944 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.531 1.776 -1.945 1.00 0.00 C ATOM 0 H ILE B 16 -5.377 4.698 -2.101 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.349 5.530 -0.087 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.605 3.071 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.612 3.430 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.462 3.902 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.163 1.830 0.827 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.308 3.108 1.724 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.999 3.350 1.223 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.284 1.601 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.540 1.585 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.709 1.106 -1.104 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.176 5.460 0.761 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.181 5.850 1.828 1.00 0.00 C ATOM 1188 C VAL B 17 -3.306 7.345 2.176 1.00 0.00 C ATOM 1189 O VAL B 17 -3.087 7.727 3.313 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.786 5.545 1.194 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.645 6.390 1.785 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.443 4.080 1.382 1.00 0.00 C ATOM 0 H VAL B 17 -3.747 5.217 -0.132 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.342 5.307 2.759 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.873 5.801 0.138 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.294 6.125 1.298 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.853 7.447 1.622 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.566 6.197 2.855 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.469 3.874 0.938 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.413 3.847 2.446 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.200 3.464 0.897 1.00 0.00 H new ATOM 1202 N THR B 18 -3.591 8.199 1.203 1.00 0.00 N ATOM 1203 CA THR B 18 -3.651 9.668 1.502 1.00 0.00 C ATOM 1204 C THR B 18 -4.795 10.421 0.774 1.00 0.00 C ATOM 1205 O THR B 18 -4.614 11.570 0.395 1.00 0.00 O ATOM 1206 CB THR B 18 -2.253 10.184 1.076 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.080 11.520 1.527 1.00 0.00 O ATOM 1208 CG2 THR B 18 -2.090 10.130 -0.455 1.00 0.00 C ATOM 0 H THR B 18 -3.780 7.941 0.234 1.00 0.00 H new ATOM 0 HA THR B 18 -3.879 9.847 2.553 1.00 0.00 H new ATOM 0 HB THR B 18 -1.496 9.542 1.526 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.879 12.044 1.310 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.101 10.497 -0.729 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.203 9.101 -0.797 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.851 10.753 -0.924 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.983 9.836 0.610 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.099 10.623 -0.050 1.00 0.00 C ATOM 1218 C LEU B 19 -7.458 11.854 0.841 1.00 0.00 C ATOM 1219 O LEU B 19 -7.010 11.940 1.974 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.274 9.657 -0.272 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.630 8.899 0.999 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.120 9.039 1.228 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.268 7.418 0.831 1.00 0.00 C ATOM 0 H LEU B 19 -6.218 8.885 0.894 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.808 11.027 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.144 10.216 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -8.018 8.947 -1.059 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.079 9.301 1.849 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.401 8.503 2.135 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.374 10.093 1.336 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.660 8.621 0.378 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.523 6.876 1.741 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.824 7.000 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.199 7.324 0.640 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.168 12.814 0.270 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.469 14.108 0.980 1.00 0.00 C ATOM 1237 C PRO B 20 -9.201 14.012 2.340 1.00 0.00 C ATOM 1238 O PRO B 20 -8.990 14.880 3.173 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.299 14.889 -0.047 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.865 13.844 -0.940 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.788 12.802 -1.067 1.00 0.00 C ATOM 0 HA PRO B 20 -7.534 14.581 1.281 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -10.087 15.467 0.436 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.681 15.594 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.776 13.418 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -10.127 14.259 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.199 11.823 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -8.071 13.054 -1.848 1.00 0.00 H new ATOM 1249 N ASN B 21 -10.062 13.037 2.588 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.788 13.025 3.924 1.00 0.00 C ATOM 1251 C ASN B 21 -10.725 11.677 4.676 1.00 0.00 C ATOM 1252 O ASN B 21 -11.601 11.398 5.482 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.248 13.340 3.586 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.418 14.763 3.031 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.691 15.671 3.384 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.376 14.995 2.181 1.00 0.00 N ATOM 0 H ASN B 21 -10.291 12.273 1.952 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.313 13.744 4.592 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.614 12.620 2.854 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.860 13.225 4.481 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.515 15.936 1.813 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.988 14.236 1.883 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.725 10.846 4.459 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.679 9.543 5.216 1.00 0.00 C ATOM 1265 C LEU B 22 -8.763 9.636 6.433 1.00 0.00 C ATOM 1266 O LEU B 22 -7.849 10.445 6.489 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.124 8.493 4.268 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.728 7.117 4.585 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.877 6.810 3.622 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.646 6.052 4.435 1.00 0.00 C ATOM 0 H LEU B 22 -8.956 11.006 3.808 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.680 9.292 5.568 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.349 8.768 3.238 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.038 8.450 4.357 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.112 7.120 5.605 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.297 5.832 3.857 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.651 7.571 3.724 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.503 6.808 2.598 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.067 5.072 4.658 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.267 6.060 3.413 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.830 6.263 5.126 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.988 8.765 7.382 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.123 8.717 8.612 1.00 0.00 C ATOM 1284 C ASN B 23 -7.184 7.494 8.545 1.00 0.00 C ATOM 1285 O ASN B 23 -7.438 6.549 7.819 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.072 8.675 9.831 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.934 7.398 9.867 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.048 6.687 8.894 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.563 7.083 10.966 1.00 0.00 N ATOM 0 H ASN B 23 -9.740 8.076 7.363 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.478 9.592 8.692 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.484 8.738 10.747 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.724 9.548 9.810 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.143 6.245 10.999 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.474 7.675 11.792 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.077 7.541 9.265 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.052 6.430 9.224 1.00 0.00 C ATOM 1298 C ASP B 24 -5.585 4.990 9.513 1.00 0.00 C ATOM 1299 O ASP B 24 -5.080 4.068 8.896 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.915 6.831 10.196 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.389 6.887 11.653 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.900 7.923 12.052 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.225 5.896 12.349 1.00 0.00 O ATOM 0 H ASP B 24 -5.836 8.312 9.888 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.703 6.342 8.195 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.097 6.116 10.109 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.519 7.805 9.907 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.544 4.795 10.424 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.024 3.405 10.701 1.00 0.00 C ATOM 1310 C PRO B 25 -7.861 2.828 9.537 1.00 0.00 C ATOM 1311 O PRO B 25 -7.731 1.654 9.219 1.00 0.00 O ATOM 1312 CB PRO B 25 -7.873 3.555 11.961 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.326 4.977 11.957 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.262 5.781 11.260 1.00 0.00 C ATOM 0 HA PRO B 25 -6.195 2.707 10.822 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.721 2.871 11.949 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.294 3.328 12.856 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.282 5.075 11.442 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.475 5.336 12.975 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.698 6.575 10.653 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.592 6.258 11.975 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.716 3.624 8.897 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.544 3.073 7.767 1.00 0.00 C ATOM 1324 C GLN B 26 -8.652 2.734 6.566 1.00 0.00 C ATOM 1325 O GLN B 26 -8.773 1.654 6.026 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.617 4.120 7.435 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.620 4.170 8.604 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.890 4.925 8.199 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.835 4.329 7.724 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.964 6.215 8.374 1.00 0.00 N ATOM 0 H GLN B 26 -8.868 4.610 9.109 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.032 2.140 8.047 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.160 5.098 7.284 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.127 3.860 6.507 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -11.877 3.157 8.912 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.160 4.658 9.463 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.174 6.722 8.773 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.812 6.717 8.112 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.726 3.609 6.180 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.793 3.266 5.036 1.00 0.00 C ATOM 1341 C LYS B 27 -5.973 2.028 5.386 1.00 0.00 C ATOM 1342 O LYS B 27 -5.688 1.221 4.532 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.835 4.440 4.772 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.274 5.084 6.047 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.615 6.421 5.680 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.690 7.477 5.370 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.180 8.756 5.949 1.00 0.00 N ATOM 0 H LYS B 27 -7.580 4.527 6.600 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.390 3.071 4.145 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.005 4.088 4.159 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.359 5.200 4.193 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.073 5.244 6.771 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.546 4.421 6.515 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.986 6.762 6.502 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.965 6.289 4.815 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.849 7.570 4.296 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.648 7.202 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.966 9.430 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.761 8.572 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.457 9.158 5.319 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.602 1.883 6.640 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.814 0.684 7.075 1.00 0.00 C ATOM 1363 C LYS B 28 -5.590 -0.592 6.705 1.00 0.00 C ATOM 1364 O LYS B 28 -5.120 -1.386 5.920 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.686 0.807 8.607 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.228 1.023 8.994 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.559 -0.331 9.223 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.085 -0.259 8.812 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.391 -1.342 9.574 1.00 0.00 N ATOM 0 H LYS B 28 -5.813 2.549 7.383 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.836 0.632 6.597 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.293 1.639 8.965 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.068 -0.095 9.085 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.708 1.570 8.207 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.166 1.629 9.898 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.640 -0.614 10.273 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.070 -1.101 8.645 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.972 -0.404 7.738 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.661 0.717 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.611 -1.092 9.698 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.838 -1.452 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.462 -2.237 9.049 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.793 -0.765 7.230 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.619 -1.976 6.868 1.00 0.00 C ATOM 1385 C ALA B 29 -7.920 -1.983 5.353 1.00 0.00 C ATOM 1386 O ALA B 29 -8.009 -3.030 4.738 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.920 -1.841 7.671 1.00 0.00 C ATOM 0 H ALA B 29 -7.235 -0.124 7.889 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.099 -2.906 7.097 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.570 -2.689 7.456 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.690 -1.821 8.736 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.426 -0.917 7.392 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.059 -0.808 4.761 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.338 -0.685 3.287 1.00 0.00 C ATOM 1395 C PHE B 30 -7.176 -1.240 2.462 1.00 0.00 C ATOM 1396 O PHE B 30 -7.359 -2.120 1.650 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.457 0.823 3.035 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.798 1.159 2.471 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.001 1.080 1.096 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.832 1.564 3.316 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.243 1.403 0.564 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.075 1.893 2.781 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.281 1.813 1.406 1.00 0.00 C ATOM 0 H PHE B 30 -7.989 0.085 5.250 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.232 -1.240 3.003 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.303 1.366 3.967 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.676 1.144 2.346 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.197 0.769 0.446 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.669 1.622 4.382 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.407 1.337 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.877 2.209 3.431 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.244 2.068 0.989 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.985 -0.729 2.681 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.785 -1.224 1.939 1.00 0.00 C ATOM 1415 C ILE B 31 -4.600 -2.712 2.232 1.00 0.00 C ATOM 1416 O ILE B 31 -4.286 -3.486 1.350 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.603 -0.421 2.504 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.564 0.962 1.816 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.268 -1.180 2.299 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.136 1.398 1.598 1.00 0.00 C ATOM 0 H ILE B 31 -5.795 0.017 3.350 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.875 -1.101 0.860 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.737 -0.288 3.578 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.087 0.916 0.861 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.086 1.696 2.430 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.448 -0.590 2.708 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.314 -2.141 2.811 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.102 -1.343 1.234 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.124 2.374 1.113 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.625 1.464 2.559 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.626 0.671 0.965 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.787 -3.102 3.476 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.626 -4.531 3.849 1.00 0.00 C ATOM 1434 C PHE B 32 -5.637 -5.388 3.049 1.00 0.00 C ATOM 1435 O PHE B 32 -5.282 -6.452 2.582 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.806 -4.582 5.384 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.462 -4.263 6.063 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.805 -3.006 5.863 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.841 -5.231 6.901 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.586 -2.767 6.471 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.624 -4.954 7.491 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.002 -3.740 7.276 1.00 0.00 C ATOM 0 H PHE B 32 -5.045 -2.483 4.244 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.650 -4.948 3.599 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.564 -3.864 5.697 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.156 -5.569 5.688 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.259 -2.249 5.241 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.322 -6.182 7.075 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.086 -1.822 6.320 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.155 -5.692 8.125 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.047 -3.543 7.740 1.00 0.00 H new ATOM 1452 N SER B 33 -6.860 -4.903 2.797 1.00 0.00 N ATOM 1453 CA SER B 33 -7.808 -5.700 1.931 1.00 0.00 C ATOM 1454 C SER B 33 -7.384 -5.539 0.443 1.00 0.00 C ATOM 1455 O SER B 33 -7.480 -6.471 -0.333 1.00 0.00 O ATOM 1456 CB SER B 33 -9.222 -5.144 2.194 1.00 0.00 C ATOM 1457 OG SER B 33 -9.380 -3.873 1.589 1.00 0.00 O ATOM 0 H SER B 33 -7.224 -4.016 3.146 1.00 0.00 H new ATOM 0 HA SER B 33 -7.790 -6.766 2.160 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.969 -5.834 1.802 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.394 -5.065 3.268 1.00 0.00 H new ATOM 0 HG SER B 33 -8.587 -3.325 1.767 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.869 -4.364 0.077 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.365 -4.107 -1.326 1.00 0.00 C ATOM 1465 C LEU B 34 -5.212 -5.078 -1.642 1.00 0.00 C ATOM 1466 O LEU B 34 -5.140 -5.628 -2.727 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.896 -2.625 -1.298 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.058 -2.240 -2.516 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.955 -2.062 -3.747 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.333 -0.915 -2.237 1.00 0.00 C ATOM 0 H LEU B 34 -6.779 -3.566 0.706 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.115 -4.267 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.769 -1.975 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.313 -2.451 -0.393 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.336 -3.033 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.343 -1.788 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.476 -2.996 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.684 -1.275 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.734 -0.638 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.067 -0.134 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.683 -1.032 -1.370 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.336 -5.307 -0.680 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.202 -6.261 -0.877 1.00 0.00 C ATOM 1484 C TRP B 35 -3.716 -7.712 -0.998 1.00 0.00 C ATOM 1485 O TRP B 35 -3.261 -8.458 -1.848 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.328 -6.135 0.365 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.098 -6.939 0.127 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.818 -8.134 0.685 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.004 -6.642 -0.773 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.380 -8.581 0.189 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.929 -7.688 -0.702 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.268 -5.568 -1.626 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.094 -7.667 -1.451 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.439 -5.548 -2.381 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.345 -6.586 -2.291 1.00 0.00 C ATOM 0 H TRP B 35 -4.365 -4.866 0.239 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.656 -6.030 -1.792 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.074 -5.091 0.552 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.858 -6.497 1.246 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.435 -8.653 1.404 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.812 -9.468 0.449 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.433 -4.750 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.800 -8.481 -1.384 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.639 -4.716 -3.040 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.253 -6.559 -2.875 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.654 -8.109 -0.144 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.200 -9.508 -0.189 1.00 0.00 C ATOM 1508 C ASP B 36 -5.883 -9.765 -1.526 1.00 0.00 C ATOM 1509 O ASP B 36 -5.672 -10.798 -2.140 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.229 -9.617 0.957 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.535 -9.847 2.310 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.674 -10.714 2.388 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.889 -9.162 3.253 1.00 0.00 O ATOM 0 H ASP B 36 -5.060 -7.516 0.580 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.402 -10.242 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.825 -8.705 1.002 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.917 -10.438 0.754 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.699 -8.832 -1.984 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.388 -9.025 -3.283 1.00 0.00 C ATOM 1520 C ASP B 37 -7.382 -7.730 -4.110 1.00 0.00 C ATOM 1521 O ASP B 37 -8.321 -6.949 -4.036 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.831 -9.457 -2.945 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.830 -10.826 -2.253 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.707 -11.821 -2.950 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.949 -10.856 -1.039 1.00 0.00 O ATOM 0 H ASP B 37 -6.908 -7.955 -1.507 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.882 -9.778 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.297 -8.715 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.427 -9.503 -3.857 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.338 -7.550 -4.914 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.265 -6.354 -5.797 1.00 0.00 C ATOM 1532 C PRO B 38 -7.321 -6.422 -6.926 1.00 0.00 C ATOM 1533 O PRO B 38 -7.469 -5.478 -7.677 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.862 -6.384 -6.358 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.458 -7.823 -6.287 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.148 -8.402 -5.076 1.00 0.00 C ATOM 0 HA PRO B 38 -6.475 -5.431 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.837 -6.015 -7.383 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.189 -5.754 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.753 -8.354 -7.192 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.376 -7.918 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.421 -9.446 -5.231 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.507 -8.367 -4.195 1.00 0.00 H new ATOM 1544 N SER B 39 -8.099 -7.500 -7.023 1.00 0.00 N ATOM 1545 CA SER B 39 -9.195 -7.553 -8.053 1.00 0.00 C ATOM 1546 C SER B 39 -10.170 -6.402 -7.738 1.00 0.00 C ATOM 1547 O SER B 39 -10.674 -5.737 -8.625 1.00 0.00 O ATOM 1548 CB SER B 39 -9.880 -8.907 -7.857 1.00 0.00 C ATOM 1549 OG SER B 39 -10.337 -9.395 -9.112 1.00 0.00 O ATOM 0 H SER B 39 -8.016 -8.330 -6.436 1.00 0.00 H new ATOM 0 HA SER B 39 -8.840 -7.449 -9.078 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.184 -9.617 -7.411 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.718 -8.806 -7.167 1.00 0.00 H new ATOM 0 HG SER B 39 -10.774 -10.263 -8.986 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.373 -6.143 -6.450 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.246 -5.004 -6.001 1.00 0.00 C ATOM 1557 C GLN B 40 -10.393 -3.721 -5.824 1.00 0.00 C ATOM 1558 O GLN B 40 -10.857 -2.773 -5.244 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.816 -5.379 -4.607 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.184 -6.866 -4.477 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.129 -7.312 -5.604 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.041 -6.600 -5.979 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.953 -8.483 -6.153 1.00 0.00 N ATOM 0 H GLN B 40 -9.962 -6.684 -5.689 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.032 -4.827 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.081 -5.126 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.702 -4.775 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.277 -7.470 -4.501 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.659 -7.042 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.189 -9.083 -5.841 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.579 -8.798 -6.894 1.00 0.00 H new ATOM 1572 N SER B 41 -9.144 -3.699 -6.283 1.00 0.00 N ATOM 1573 CA SER B 41 -8.250 -2.493 -6.104 1.00 0.00 C ATOM 1574 C SER B 41 -8.871 -1.227 -6.708 1.00 0.00 C ATOM 1575 O SER B 41 -8.891 -0.189 -6.066 1.00 0.00 O ATOM 1576 CB SER B 41 -6.966 -2.858 -6.823 1.00 0.00 C ATOM 1577 OG SER B 41 -6.070 -1.758 -6.830 1.00 0.00 O ATOM 0 H SER B 41 -8.707 -4.476 -6.778 1.00 0.00 H new ATOM 0 HA SER B 41 -8.090 -2.265 -5.050 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.498 -3.712 -6.333 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.189 -3.160 -7.846 1.00 0.00 H new ATOM 0 HG SER B 41 -6.226 -1.214 -7.630 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.405 -1.309 -7.918 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.063 -0.106 -8.536 1.00 0.00 C ATOM 1585 C ALA B 42 -11.264 0.287 -7.661 1.00 0.00 C ATOM 1586 O ALA B 42 -11.455 1.448 -7.344 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.520 -0.548 -9.932 1.00 0.00 C ATOM 0 H ALA B 42 -9.411 -2.150 -8.495 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.399 0.755 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.009 0.286 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.655 -0.867 -10.514 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.221 -1.377 -9.840 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.035 -0.700 -7.229 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.191 -0.445 -6.325 1.00 0.00 C ATOM 1595 C ASN B 43 -12.701 0.064 -4.954 1.00 0.00 C ATOM 1596 O ASN B 43 -13.366 0.863 -4.333 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.903 -1.800 -6.170 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.225 -1.608 -5.420 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.216 -1.211 -6.001 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.280 -1.865 -4.140 1.00 0.00 N ATOM 0 H ASN B 43 -11.899 -1.680 -7.476 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.857 0.317 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.091 -2.237 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.264 -2.497 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.153 -1.732 -3.630 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.449 -2.198 -3.651 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.543 -0.395 -4.486 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.001 0.054 -3.156 1.00 0.00 C ATOM 1609 C LEU B 44 -10.665 1.535 -3.203 1.00 0.00 C ATOM 1610 O LEU B 44 -11.094 2.300 -2.369 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.740 -0.786 -2.935 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.086 -1.978 -2.050 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.321 -3.220 -2.527 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.706 -1.630 -0.606 1.00 0.00 C ATOM 0 H LEU B 44 -10.953 -1.066 -4.979 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.719 -0.080 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.344 -1.129 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.963 -0.182 -2.466 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.152 -2.197 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.572 -4.069 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.598 -3.444 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.249 -3.030 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.945 -2.470 0.046 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.638 -1.421 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.265 -0.751 -0.285 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.935 1.931 -4.205 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.582 3.373 -4.388 1.00 0.00 C ATOM 1628 C LEU B 45 -10.877 4.201 -4.405 1.00 0.00 C ATOM 1629 O LEU B 45 -11.004 5.177 -3.692 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.860 3.444 -5.749 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.594 4.898 -6.166 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.200 5.734 -4.952 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.458 4.930 -7.193 1.00 0.00 C ATOM 0 H LEU B 45 -9.559 1.308 -4.920 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.951 3.765 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.916 2.902 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.465 2.950 -6.510 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.503 5.313 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.015 6.762 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -9.008 5.716 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.296 5.322 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.266 5.961 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.556 4.506 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.742 4.346 -8.068 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.848 3.770 -5.180 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.166 4.480 -5.230 1.00 0.00 C ATOM 1647 C ALA B 46 -13.832 4.434 -3.841 1.00 0.00 C ATOM 1648 O ALA B 46 -14.350 5.427 -3.364 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.989 3.693 -6.246 1.00 0.00 C ATOM 0 H ALA B 46 -11.781 2.951 -5.784 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.072 5.530 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.975 4.147 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.484 3.707 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.096 2.663 -5.907 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.778 3.282 -3.191 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.350 3.118 -1.817 1.00 0.00 C ATOM 1657 C GLU B 47 -13.637 4.078 -0.841 1.00 0.00 C ATOM 1658 O GLU B 47 -14.234 4.567 0.096 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.070 1.649 -1.443 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.057 1.178 -0.367 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.753 -0.280 0.007 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -14.956 -1.146 -0.833 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.327 -0.509 1.127 1.00 0.00 O ATOM 0 H GLU B 47 -13.351 2.437 -3.570 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.415 3.348 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.157 1.018 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.048 1.548 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.980 1.814 0.515 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -16.080 1.264 -0.734 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.361 4.354 -1.085 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.571 5.292 -0.217 1.00 0.00 C ATOM 1672 C ALA B 48 -12.145 6.712 -0.349 1.00 0.00 C ATOM 1673 O ALA B 48 -12.473 7.334 0.642 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.124 5.224 -0.750 1.00 0.00 C ATOM 0 H ALA B 48 -11.834 3.958 -1.863 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.611 5.025 0.839 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.488 5.886 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.755 4.201 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.106 5.537 -1.794 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.296 7.212 -1.570 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.884 8.586 -1.777 1.00 0.00 C ATOM 1682 C LYS B 49 -14.320 8.627 -1.232 1.00 0.00 C ATOM 1683 O LYS B 49 -14.691 9.545 -0.524 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.885 8.826 -3.295 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.468 9.172 -3.774 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.823 7.943 -4.427 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.868 8.364 -5.557 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.673 8.975 -4.885 1.00 0.00 N ATOM 0 H LYS B 49 -12.036 6.725 -2.428 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.310 9.352 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.245 7.936 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.569 9.637 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.507 9.995 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.862 9.508 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.277 7.371 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.598 7.288 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.578 7.505 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.347 9.079 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.885 9.032 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.913 9.931 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.392 8.387 -4.075 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.113 7.613 -1.535 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.529 7.548 -1.018 1.00 0.00 C ATOM 1704 C LYS B 50 -16.527 7.536 0.521 1.00 0.00 C ATOM 1705 O LYS B 50 -17.336 8.199 1.148 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.105 6.237 -1.575 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.347 6.381 -3.082 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.825 5.043 -3.651 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.178 5.207 -5.136 1.00 0.00 C ATOM 1710 NZ LYS B 50 -16.955 4.797 -5.889 1.00 0.00 N ATOM 0 H LYS B 50 -14.838 6.825 -2.121 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.123 8.408 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.415 5.415 -1.384 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.039 5.994 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.091 7.155 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.429 6.694 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.047 4.289 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.696 4.692 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.031 4.585 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.450 6.238 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.130 4.886 -6.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.159 5.410 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -16.723 3.809 -5.662 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.599 6.811 1.125 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.499 6.777 2.623 1.00 0.00 C ATOM 1726 C LEU B 51 -15.077 8.163 3.136 1.00 0.00 C ATOM 1727 O LEU B 51 -15.652 8.670 4.083 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.424 5.716 2.931 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.351 5.430 4.443 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.423 4.239 4.684 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.815 6.653 5.199 1.00 0.00 C ATOM 0 H LEU B 51 -14.907 6.242 0.638 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.444 6.531 3.107 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.651 4.796 2.393 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.454 6.062 2.575 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.353 5.205 4.808 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.367 4.032 5.753 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -13.812 3.363 4.164 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.427 4.472 4.307 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.771 6.431 6.265 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.816 6.895 4.837 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.477 7.503 5.032 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.095 8.784 2.497 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.639 10.159 2.917 1.00 0.00 C ATOM 1745 C ASN B 52 -14.838 11.112 2.919 1.00 0.00 C ATOM 1746 O ASN B 52 -14.934 11.990 3.755 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.539 10.550 1.883 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.947 11.590 0.791 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.793 12.439 0.962 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.306 11.595 -0.338 1.00 0.00 N ATOM 0 H ASN B 52 -13.591 8.393 1.701 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.231 10.201 3.927 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.683 10.947 2.429 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.204 9.642 1.381 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.522 12.299 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.586 10.895 -0.519 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.746 10.929 1.974 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.944 11.802 1.879 1.00 0.00 C ATOM 1759 C ASP B 53 -17.826 11.658 3.135 1.00 0.00 C ATOM 1760 O ASP B 53 -18.498 12.596 3.530 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.709 11.320 0.642 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.719 12.386 0.205 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.326 13.283 -0.523 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.867 12.289 0.605 1.00 0.00 O ATOM 0 H ASP B 53 -15.694 10.199 1.263 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.664 12.853 1.804 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.012 11.113 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.226 10.386 0.864 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.823 10.487 3.764 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.657 10.274 4.995 1.00 0.00 C ATOM 1771 C ALA B 54 -18.103 11.099 6.169 1.00 0.00 C ATOM 1772 O ALA B 54 -18.855 11.655 6.950 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.555 8.770 5.276 1.00 0.00 C ATOM 0 H ALA B 54 -17.277 9.677 3.471 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.691 10.593 4.861 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.138 8.525 6.164 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.942 8.213 4.423 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.512 8.501 5.442 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.791 11.195 6.273 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.151 11.997 7.367 1.00 0.00 C ATOM 1781 C GLN B 55 -16.121 13.489 6.994 1.00 0.00 C ATOM 1782 O GLN B 55 -16.226 14.345 7.856 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.729 11.429 7.471 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.762 10.084 8.203 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.396 9.415 8.079 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.776 9.073 9.067 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.894 9.224 6.893 1.00 0.00 N ATOM 0 H GLN B 55 -16.133 10.745 5.637 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.693 11.929 8.310 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.304 11.302 6.475 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.086 12.129 8.005 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.014 10.233 9.253 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.535 9.443 7.778 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.416 9.512 6.066 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.978 8.786 6.791 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.954 13.796 5.719 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.884 15.224 5.266 1.00 0.00 C ATOM 1798 C ALA B 56 -16.336 15.363 3.800 1.00 0.00 C ATOM 1799 O ALA B 56 -16.216 14.427 3.041 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.405 15.556 5.377 1.00 0.00 C ATOM 0 H ALA B 56 -15.863 13.108 4.971 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.528 15.879 5.853 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.239 16.588 5.067 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.081 15.431 6.410 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.833 14.887 4.734 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.817 16.540 3.434 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.256 16.781 2.028 1.00 0.00 C ATOM 1808 C PRO B 57 -16.035 16.867 1.095 1.00 0.00 C ATOM 1809 O PRO B 57 -14.991 17.376 1.475 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.985 18.121 2.101 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.400 18.811 3.289 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.990 17.740 4.268 1.00 0.00 C ATOM 0 HA PRO B 57 -17.886 15.984 1.632 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.834 18.703 1.192 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.060 17.981 2.215 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.541 19.416 2.998 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.128 19.486 3.739 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -16.067 18.004 4.784 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.751 17.587 5.034 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.164 16.380 -0.120 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.015 16.429 -1.095 1.00 0.00 C ATOM 1822 C LYS B 58 -14.820 17.861 -1.631 1.00 0.00 C ATOM 1823 O LYS B 58 -13.703 18.343 -1.560 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.383 15.469 -2.238 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.313 14.018 -1.748 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.617 13.074 -2.915 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.728 11.631 -2.401 1.00 0.00 C ATOM 1828 NZ LYS B 58 -17.126 11.199 -2.705 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.788 18.450 -2.094 1.00 0.00 O ATOM 0 H LYS B 58 -17.015 15.950 -0.482 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.079 16.138 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.387 15.691 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.702 15.611 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.324 13.806 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -16.029 13.860 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.547 13.369 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.829 13.143 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.002 10.983 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.527 11.580 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.271 10.228 -2.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.797 11.837 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.284 11.232 -3.732 1.00 0.00 H new TER 1843 LYS B 58