USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 923 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 :FLIP amide:sc= -0.605 F(o=-6.8,f=-3.9) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.28! C(o=-3.9!,f=-13!) USER MOD Set 2.1: B 3 ASN :FLIP amide:sc= 0.139 F(o=-1.5,f=0.38) USER MOD Set 2.2: B 39 SER OG : rot 62:sc= 0.245 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= 0.628 F(o=-15!,f=0.32) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -0.311 F(o=-2.7!,f=0.32) USER MOD Set 4.1: B 1 VAL N :NH3+ 172:sc= -0.831 (180deg=-1.16) USER MOD Set 4.2: B 6 ASN : amide:sc= -1.21! C(o=-2!,f=-10!) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.62 F(o=-11,f=-9.9) USER MOD Set 5.2: A 52 ASN : amide:sc= -8.27! C(o=-9.9!,f=-18!) USER MOD Set 6.1: A 26 GLN :FLIP amide:sc= -0.237 F(o=-8.5!,f=-2.6) USER MOD Set 6.2: A 55 GLN :FLIP amide:sc= -2.32! C(o=-6.5!,f=-2.6!) USER MOD Set 7.1: A 13 THR OG1 : rot 110:sc= -1.7 USER MOD Set 7.2: B 17 MET CE :methyl -129:sc= -11.1! (180deg=-11.6!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ -132:sc= -1.26 (180deg=-1.35) USER MOD Set 8.2: B 7 LYS NZ :NH3+ -162:sc= -1.01 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.145 (180deg=-0.765) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.236 (180deg=-0.784) USER MOD Single : A 6 ASN : amide:sc= -3.43 K(o=-3.4,f=-10!) USER MOD Single : A 18 ASN : amide:sc= -4.02! C(o=-4!,f=-6.1!) USER MOD Single : A 23 ASN : amide:sc= -0.838 K(o=-0.84,f=-10!) USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= -2.02 (180deg=-3.12!) USER MOD Single : A 33 SER OG : rot 72:sc= 1.09 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.8) USER MOD Single : A 41 SER OG : rot -92:sc= 0.106 USER MOD Single : A 43 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 0.615 (180deg=0.336) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= 1.07 (180deg=-0.0966) USER MOD Single : B 4 LYS NZ :NH3+ -141:sc= -0.132 (180deg=-2.23!) USER MOD Single : B 23 ASN : amide:sc= -2.99! C(o=-3!,f=-16!) USER MOD Single : B 24 SER OG : rot -78:sc= 0.567 USER MOD Single : B 32 ASN : amide:sc=-5.9e-05 K(o=-5.9e-05,f=-1.3) USER MOD Single : B 33 SER OG : rot 89:sc= 0.0649 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0413 F(o=-1.1,f=-0.041) USER MOD Single : B 41 SER OG : rot -60:sc= -1.49 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 144:sc= 0.193 (180deg=-1.36) USER MOD Single : B 50 LYS NZ :NH3+ 179:sc= 1.01 (180deg=1.01) USER MOD Single : B 58 LYS NZ :NH3+ -125:sc= 0.704 (180deg=-0.84!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.273 -17.890 7.420 1.00 0.00 N ATOM 2 CA VAL A 1 6.566 -18.220 6.149 1.00 0.00 C ATOM 3 C VAL A 1 5.920 -16.951 5.596 1.00 0.00 C ATOM 4 O VAL A 1 6.200 -16.545 4.466 1.00 0.00 O ATOM 5 CB VAL A 1 5.494 -19.293 6.421 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.805 -19.690 5.107 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.150 -20.534 7.045 1.00 0.00 C ATOM 0 H1 VAL A 1 7.979 -18.626 7.626 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.749 -16.970 7.324 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.585 -17.844 8.198 1.00 0.00 H new ATOM 0 HA VAL A 1 7.273 -18.610 5.417 1.00 0.00 H new ATOM 0 HB VAL A 1 4.753 -18.886 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.049 -20.449 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.331 -18.813 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.545 -20.090 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.389 -21.291 7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.896 -20.935 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.631 -20.258 7.983 1.00 0.00 H new ATOM 19 N ASP A 2 5.058 -16.332 6.404 1.00 0.00 N ATOM 20 CA ASP A 2 4.372 -15.107 6.000 1.00 0.00 C ATOM 21 C ASP A 2 5.308 -13.907 6.120 1.00 0.00 C ATOM 22 O ASP A 2 5.927 -13.695 7.166 1.00 0.00 O ATOM 23 CB ASP A 2 3.136 -14.881 6.880 1.00 0.00 C ATOM 24 CG ASP A 2 2.321 -13.701 6.348 1.00 0.00 C ATOM 25 OD1 ASP A 2 1.469 -13.929 5.507 1.00 0.00 O ATOM 26 OD2 ASP A 2 2.566 -12.585 6.783 1.00 0.00 O ATOM 0 H ASP A 2 4.820 -16.659 7.340 1.00 0.00 H new ATOM 0 HA ASP A 2 4.062 -15.213 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.521 -15.781 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.442 -14.688 7.908 1.00 0.00 H new ATOM 31 N ASN A 3 5.399 -13.125 5.045 1.00 0.00 N ATOM 32 CA ASN A 3 6.254 -11.941 5.035 1.00 0.00 C ATOM 33 C ASN A 3 5.611 -10.835 5.870 1.00 0.00 C ATOM 34 O ASN A 3 4.813 -10.043 5.365 1.00 0.00 O ATOM 35 CB ASN A 3 6.462 -11.461 3.593 1.00 0.00 C ATOM 36 CG ASN A 3 7.279 -12.484 2.811 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.490 -12.591 3.003 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.686 -13.251 1.939 1.00 0.00 N ATOM 0 H ASN A 3 4.894 -13.289 4.174 1.00 0.00 H new ATOM 0 HA ASN A 3 7.223 -12.193 5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.497 -11.309 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.974 -10.499 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.226 -13.940 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.682 -13.162 1.780 1.00 0.00 H new ATOM 45 N LYS A 4 5.959 -10.805 7.158 1.00 0.00 N ATOM 46 CA LYS A 4 5.410 -9.812 8.081 1.00 0.00 C ATOM 47 C LYS A 4 5.715 -8.392 7.608 1.00 0.00 C ATOM 48 O LYS A 4 4.838 -7.532 7.635 1.00 0.00 O ATOM 49 CB LYS A 4 5.990 -10.037 9.490 1.00 0.00 C ATOM 50 CG LYS A 4 5.479 -8.964 10.469 1.00 0.00 C ATOM 51 CD LYS A 4 4.005 -9.230 10.820 1.00 0.00 C ATOM 52 CE LYS A 4 3.165 -7.967 10.578 1.00 0.00 C ATOM 53 NZ LYS A 4 3.753 -6.817 11.327 1.00 0.00 N ATOM 0 H LYS A 4 6.618 -11.457 7.584 1.00 0.00 H new ATOM 0 HA LYS A 4 4.327 -9.931 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.710 -11.027 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.079 -10.009 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.084 -8.970 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.582 -7.975 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.622 -10.052 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.922 -9.537 11.863 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.132 -7.740 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.137 -8.135 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.038 -6.069 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.060 -7.136 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.571 -6.444 10.804 1.00 0.00 H new ATOM 67 N PHE A 5 6.957 -8.152 7.185 1.00 0.00 N ATOM 68 CA PHE A 5 7.349 -6.827 6.722 1.00 0.00 C ATOM 69 C PHE A 5 6.536 -6.424 5.490 1.00 0.00 C ATOM 70 O PHE A 5 6.081 -5.291 5.396 1.00 0.00 O ATOM 71 CB PHE A 5 8.861 -6.781 6.425 1.00 0.00 C ATOM 72 CG PHE A 5 9.150 -7.269 5.017 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.209 -8.643 4.745 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.345 -6.341 3.984 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.465 -9.087 3.443 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.600 -6.787 2.683 1.00 0.00 C ATOM 77 CZ PHE A 5 9.660 -8.160 2.412 1.00 0.00 C ATOM 0 H PHE A 5 7.699 -8.851 7.155 1.00 0.00 H new ATOM 0 HA PHE A 5 7.139 -6.109 7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.228 -5.762 6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.397 -7.399 7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.057 -9.358 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.298 -5.282 4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.512 -10.145 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.751 -6.073 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.857 -8.504 1.407 1.00 0.00 H new ATOM 87 N ASN A 6 6.354 -7.366 4.557 1.00 0.00 N ATOM 88 CA ASN A 6 5.584 -7.104 3.348 1.00 0.00 C ATOM 89 C ASN A 6 4.127 -6.870 3.696 1.00 0.00 C ATOM 90 O ASN A 6 3.496 -5.940 3.197 1.00 0.00 O ATOM 91 CB ASN A 6 5.680 -8.303 2.413 1.00 0.00 C ATOM 92 CG ASN A 6 4.979 -8.015 1.093 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.972 -6.883 0.629 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.371 -8.983 0.469 1.00 0.00 N ATOM 0 H ASN A 6 6.730 -8.312 4.621 1.00 0.00 H new ATOM 0 HA ASN A 6 5.988 -6.216 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.727 -8.544 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.230 -9.176 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.887 -8.799 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.379 -9.926 0.859 1.00 0.00 H new ATOM 101 N LYS A 7 3.607 -7.723 4.573 1.00 0.00 N ATOM 102 CA LYS A 7 2.234 -7.612 5.009 1.00 0.00 C ATOM 103 C LYS A 7 2.070 -6.278 5.709 1.00 0.00 C ATOM 104 O LYS A 7 1.105 -5.567 5.489 1.00 0.00 O ATOM 105 CB LYS A 7 1.899 -8.773 5.958 1.00 0.00 C ATOM 106 CG LYS A 7 0.386 -8.846 6.202 1.00 0.00 C ATOM 107 CD LYS A 7 0.041 -10.146 6.943 1.00 0.00 C ATOM 108 CE LYS A 7 -0.360 -11.223 5.934 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.681 -12.484 6.656 1.00 0.00 N ATOM 0 H LYS A 7 4.123 -8.497 4.992 1.00 0.00 H new ATOM 0 HA LYS A 7 1.553 -7.664 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.251 -9.712 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.420 -8.638 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.061 -7.986 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.147 -8.805 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.898 -10.482 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.774 -9.970 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.223 -10.892 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.451 -11.393 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.192 -13.280 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.368 -12.407 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.708 -12.647 6.630 1.00 0.00 H new ATOM 123 N GLU A 8 3.058 -5.940 6.531 1.00 0.00 N ATOM 124 CA GLU A 8 3.045 -4.677 7.253 1.00 0.00 C ATOM 125 C GLU A 8 3.232 -3.509 6.289 1.00 0.00 C ATOM 126 O GLU A 8 2.578 -2.480 6.414 1.00 0.00 O ATOM 127 CB GLU A 8 4.135 -4.685 8.325 1.00 0.00 C ATOM 128 CG GLU A 8 4.053 -3.419 9.186 1.00 0.00 C ATOM 129 CD GLU A 8 5.232 -3.374 10.159 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.220 -4.143 11.109 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.129 -2.575 9.941 1.00 0.00 O ATOM 0 H GLU A 8 3.875 -6.523 6.712 1.00 0.00 H new ATOM 0 HA GLU A 8 2.078 -4.553 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.027 -5.568 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.116 -4.748 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.062 -2.534 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.114 -3.405 9.738 1.00 0.00 H new ATOM 138 N LEU A 9 4.097 -3.711 5.306 1.00 0.00 N ATOM 139 CA LEU A 9 4.350 -2.708 4.270 1.00 0.00 C ATOM 140 C LEU A 9 3.045 -2.431 3.550 1.00 0.00 C ATOM 141 O LEU A 9 2.696 -1.281 3.295 1.00 0.00 O ATOM 142 CB LEU A 9 5.417 -3.247 3.302 1.00 0.00 C ATOM 143 CG LEU A 9 5.565 -2.332 2.075 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.348 -1.061 2.402 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.306 -3.078 0.986 1.00 0.00 C ATOM 0 H LEU A 9 4.642 -4.567 5.200 1.00 0.00 H new ATOM 0 HA LEU A 9 4.721 -1.779 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.374 -3.326 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.145 -4.252 2.979 1.00 0.00 H new ATOM 0 HG LEU A 9 4.563 -2.049 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.429 -0.443 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.828 -0.504 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.346 -1.328 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.414 -2.434 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.293 -3.366 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.745 -3.971 0.711 1.00 0.00 H new ATOM 157 N GLY A 10 2.303 -3.493 3.272 1.00 0.00 N ATOM 158 CA GLY A 10 1.030 -3.357 2.640 1.00 0.00 C ATOM 159 C GLY A 10 0.012 -2.850 3.639 1.00 0.00 C ATOM 160 O GLY A 10 -0.878 -2.077 3.303 1.00 0.00 O ATOM 0 H GLY A 10 2.575 -4.454 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.103 -2.667 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.710 -4.318 2.237 1.00 0.00 H new ATOM 164 N TRP A 11 0.116 -3.314 4.877 1.00 0.00 N ATOM 165 CA TRP A 11 -0.851 -2.901 5.861 1.00 0.00 C ATOM 166 C TRP A 11 -0.735 -1.452 6.227 1.00 0.00 C ATOM 167 O TRP A 11 -1.728 -0.725 6.189 1.00 0.00 O ATOM 168 CB TRP A 11 -0.846 -3.765 7.109 1.00 0.00 C ATOM 169 CG TRP A 11 -2.272 -3.877 7.584 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.639 -3.913 8.873 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.529 -3.930 6.800 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.017 -4.025 8.945 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.606 -4.025 7.699 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.840 -3.914 5.413 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.929 -4.097 7.256 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.152 -3.981 4.966 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.205 -4.070 5.883 1.00 0.00 C ATOM 0 H TRP A 11 0.837 -3.955 5.208 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.814 -3.043 5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.435 -4.751 6.892 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.218 -3.321 7.881 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.968 -3.863 9.718 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.537 -4.099 9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.038 -3.848 4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.736 -4.173 7.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.361 -3.964 3.907 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.226 -4.118 5.534 1.00 0.00 H new ATOM 188 N ALA A 12 0.459 -1.021 6.572 1.00 0.00 N ATOM 189 CA ALA A 12 0.643 0.358 6.928 1.00 0.00 C ATOM 190 C ALA A 12 0.207 1.227 5.750 1.00 0.00 C ATOM 191 O ALA A 12 -0.440 2.250 5.935 1.00 0.00 O ATOM 192 CB ALA A 12 2.100 0.616 7.305 1.00 0.00 C ATOM 0 H ALA A 12 1.299 -1.598 6.612 1.00 0.00 H new ATOM 0 HA ALA A 12 0.035 0.608 7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.226 1.665 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.373 -0.011 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.743 0.378 6.457 1.00 0.00 H new ATOM 198 N THR A 13 0.508 0.762 4.530 1.00 0.00 N ATOM 199 CA THR A 13 0.093 1.460 3.319 1.00 0.00 C ATOM 200 C THR A 13 -1.417 1.650 3.331 1.00 0.00 C ATOM 201 O THR A 13 -1.903 2.746 3.096 1.00 0.00 O ATOM 202 CB THR A 13 0.506 0.609 2.115 1.00 0.00 C ATOM 203 OG1 THR A 13 1.876 0.823 1.856 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.316 0.965 0.877 1.00 0.00 C ATOM 0 H THR A 13 1.037 -0.094 4.362 1.00 0.00 H new ATOM 0 HA THR A 13 0.565 2.441 3.263 1.00 0.00 H new ATOM 0 HB THR A 13 0.323 -0.440 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.382 0.015 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.001 0.344 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.373 0.790 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.163 2.015 0.628 1.00 0.00 H new ATOM 212 N TRP A 14 -2.129 0.570 3.635 1.00 0.00 N ATOM 213 CA TRP A 14 -3.593 0.573 3.701 1.00 0.00 C ATOM 214 C TRP A 14 -4.108 1.527 4.764 1.00 0.00 C ATOM 215 O TRP A 14 -5.053 2.277 4.538 1.00 0.00 O ATOM 216 CB TRP A 14 -4.036 -0.825 4.093 1.00 0.00 C ATOM 217 CG TRP A 14 -5.455 -1.093 3.701 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.467 -1.273 4.580 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.035 -1.250 2.370 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.616 -1.579 3.884 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.404 -1.573 2.524 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.523 -1.164 1.053 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.219 -1.811 1.428 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.344 -1.399 -0.035 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.681 -1.727 0.149 1.00 0.00 C ATOM 0 H TRP A 14 -1.710 -0.336 3.844 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.983 0.886 2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.384 -1.558 3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.927 -0.951 5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.387 -1.190 5.654 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.514 -1.785 4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.484 -0.913 0.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.261 -2.059 1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -5.942 -1.327 -1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.308 -1.918 -0.709 1.00 0.00 H new ATOM 236 N GLU A 15 -3.490 1.452 5.933 1.00 0.00 N ATOM 237 CA GLU A 15 -3.883 2.270 7.067 1.00 0.00 C ATOM 238 C GLU A 15 -3.641 3.751 6.761 1.00 0.00 C ATOM 239 O GLU A 15 -4.478 4.600 7.073 1.00 0.00 O ATOM 240 CB GLU A 15 -3.101 1.795 8.294 1.00 0.00 C ATOM 241 CG GLU A 15 -3.497 0.334 8.609 1.00 0.00 C ATOM 242 CD GLU A 15 -2.545 -0.259 9.647 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.794 -0.074 10.827 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.582 -0.894 9.244 1.00 0.00 O ATOM 0 H GLU A 15 -2.707 0.826 6.120 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.949 2.164 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.029 1.863 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.316 2.436 9.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.521 0.299 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.470 -0.263 7.697 1.00 0.00 H new ATOM 251 N ILE A 16 -2.522 4.038 6.090 1.00 0.00 N ATOM 252 CA ILE A 16 -2.199 5.407 5.672 1.00 0.00 C ATOM 253 C ILE A 16 -3.199 5.827 4.588 1.00 0.00 C ATOM 254 O ILE A 16 -3.653 6.971 4.536 1.00 0.00 O ATOM 255 CB ILE A 16 -0.753 5.450 5.121 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.236 5.122 6.251 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.423 6.839 4.552 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.668 4.976 5.703 1.00 0.00 C ATOM 0 H ILE A 16 -1.825 3.342 5.824 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.266 6.092 6.517 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.669 4.715 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.209 5.910 7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.064 4.198 6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.598 6.843 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.113 7.074 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.520 7.587 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.349 4.744 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.696 4.171 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.974 5.909 5.230 1.00 0.00 H new ATOM 270 N PHE A 17 -3.543 4.852 3.749 1.00 0.00 N ATOM 271 CA PHE A 17 -4.506 5.024 2.660 1.00 0.00 C ATOM 272 C PHE A 17 -5.902 5.284 3.246 1.00 0.00 C ATOM 273 O PHE A 17 -6.709 6.013 2.668 1.00 0.00 O ATOM 274 CB PHE A 17 -4.525 3.719 1.853 1.00 0.00 C ATOM 275 CG PHE A 17 -4.806 3.931 0.386 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.745 4.148 -0.506 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.114 3.833 -0.094 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.995 4.261 -1.872 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.368 3.960 -1.459 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.307 4.168 -2.350 1.00 0.00 C ATOM 0 H PHE A 17 -3.157 3.909 3.806 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.228 5.867 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.564 3.217 1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.281 3.053 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.734 4.227 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.929 3.659 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.178 4.420 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.381 3.898 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.502 4.257 -3.409 1.00 0.00 H new ATOM 290 N ASN A 18 -6.165 4.648 4.398 1.00 0.00 N ATOM 291 CA ASN A 18 -7.455 4.760 5.091 1.00 0.00 C ATOM 292 C ASN A 18 -7.508 5.958 6.044 1.00 0.00 C ATOM 293 O ASN A 18 -8.528 6.158 6.711 1.00 0.00 O ATOM 294 CB ASN A 18 -7.716 3.480 5.917 1.00 0.00 C ATOM 295 CG ASN A 18 -8.657 2.525 5.183 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.712 2.935 4.700 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.336 1.264 5.076 1.00 0.00 N ATOM 0 H ASN A 18 -5.493 4.045 4.872 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.214 4.898 4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.771 2.977 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.147 3.749 6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.960 0.618 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.461 0.925 5.476 1.00 0.00 H new ATOM 304 N LEU A 19 -6.433 6.751 6.136 1.00 0.00 N ATOM 305 CA LEU A 19 -6.453 7.887 7.052 1.00 0.00 C ATOM 306 C LEU A 19 -7.413 8.961 6.541 1.00 0.00 C ATOM 307 O LEU A 19 -7.403 9.287 5.352 1.00 0.00 O ATOM 308 CB LEU A 19 -5.059 8.471 7.254 1.00 0.00 C ATOM 309 CG LEU A 19 -4.392 7.811 8.473 1.00 0.00 C ATOM 310 CD1 LEU A 19 -2.997 8.359 8.613 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.154 8.131 9.765 1.00 0.00 C ATOM 0 H LEU A 19 -5.570 6.631 5.606 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.803 7.528 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.453 8.307 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.124 9.549 7.402 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.388 6.732 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.511 7.900 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.426 8.135 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.043 9.439 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.658 7.650 10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.170 9.210 9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.176 7.760 9.686 1.00 0.00 H new ATOM 323 N PRO A 20 -8.263 9.487 7.398 1.00 0.00 N ATOM 324 CA PRO A 20 -9.277 10.507 7.012 1.00 0.00 C ATOM 325 C PRO A 20 -8.759 11.946 6.854 1.00 0.00 C ATOM 326 O PRO A 20 -9.588 12.855 6.757 1.00 0.00 O ATOM 327 CB PRO A 20 -10.313 10.441 8.156 1.00 0.00 C ATOM 328 CG PRO A 20 -9.852 9.387 9.106 1.00 0.00 C ATOM 329 CD PRO A 20 -8.376 9.182 8.833 1.00 0.00 C ATOM 0 HA PRO A 20 -9.662 10.276 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.393 11.405 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.302 10.202 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.017 9.695 10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.407 8.461 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.757 9.845 9.437 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.062 8.162 9.056 1.00 0.00 H new ATOM 337 N ASN A 21 -7.432 12.194 6.831 1.00 0.00 N ATOM 338 CA ASN A 21 -6.985 13.604 6.692 1.00 0.00 C ATOM 339 C ASN A 21 -5.735 13.779 5.832 1.00 0.00 C ATOM 340 O ASN A 21 -5.319 14.914 5.582 1.00 0.00 O ATOM 341 CB ASN A 21 -6.746 14.237 8.071 1.00 0.00 C ATOM 342 CG ASN A 21 -8.028 14.244 8.901 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.077 13.572 10.018 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.010 14.884 8.526 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.693 11.494 6.901 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.798 14.114 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.970 13.683 8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.383 15.257 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.973 15.410 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.861 14.889 9.088 1.00 0.00 H new ATOM 351 N LEU A 22 -5.141 12.687 5.370 1.00 0.00 N ATOM 352 CA LEU A 22 -3.945 12.790 4.531 1.00 0.00 C ATOM 353 C LEU A 22 -4.323 13.097 3.091 1.00 0.00 C ATOM 354 O LEU A 22 -5.372 12.657 2.614 1.00 0.00 O ATOM 355 CB LEU A 22 -3.151 11.489 4.583 1.00 0.00 C ATOM 356 CG LEU A 22 -2.776 11.181 6.032 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.043 9.854 6.092 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.860 12.271 6.585 1.00 0.00 C ATOM 0 H LEU A 22 -5.457 11.735 5.555 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.330 13.604 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.742 10.673 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.252 11.574 3.973 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.688 11.137 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.775 9.633 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.688 9.064 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.138 9.910 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.601 12.039 7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.951 12.321 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.374 13.232 6.547 1.00 0.00 H new ATOM 370 N ASN A 23 -3.456 13.841 2.396 1.00 0.00 N ATOM 371 CA ASN A 23 -3.716 14.180 1.002 1.00 0.00 C ATOM 372 C ASN A 23 -2.989 13.195 0.097 1.00 0.00 C ATOM 373 O ASN A 23 -2.115 12.453 0.553 1.00 0.00 O ATOM 374 CB ASN A 23 -3.302 15.634 0.697 1.00 0.00 C ATOM 375 CG ASN A 23 -1.783 15.806 0.675 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.063 15.109 1.378 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.255 16.710 -0.102 1.00 0.00 N ATOM 0 H ASN A 23 -2.584 14.212 2.772 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.787 14.107 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.714 15.934 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.731 16.298 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.243 16.836 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.854 17.291 -0.688 1.00 0.00 H new ATOM 384 N GLY A 24 -3.371 13.178 -1.176 1.00 0.00 N ATOM 385 CA GLY A 24 -2.776 12.260 -2.143 1.00 0.00 C ATOM 386 C GLY A 24 -1.251 12.252 -2.067 1.00 0.00 C ATOM 387 O GLY A 24 -0.631 11.211 -2.260 1.00 0.00 O ATOM 0 H GLY A 24 -4.090 13.789 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.152 11.253 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.087 12.543 -3.149 1.00 0.00 H new ATOM 391 N VAL A 25 -0.653 13.411 -1.791 1.00 0.00 N ATOM 392 CA VAL A 25 0.803 13.508 -1.709 1.00 0.00 C ATOM 393 C VAL A 25 1.350 12.878 -0.437 1.00 0.00 C ATOM 394 O VAL A 25 2.282 12.083 -0.515 1.00 0.00 O ATOM 395 CB VAL A 25 1.239 14.967 -1.826 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.754 15.072 -1.610 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.894 15.458 -3.235 1.00 0.00 C ATOM 0 H VAL A 25 -1.148 14.287 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 25 1.220 12.945 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 25 0.730 15.572 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.062 16.114 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.007 14.698 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.271 14.479 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.197 16.500 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.420 14.850 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.181 15.374 -3.396 1.00 0.00 H new ATOM 407 N GLN A 26 0.790 13.218 0.729 1.00 0.00 N ATOM 408 CA GLN A 26 1.285 12.635 1.967 1.00 0.00 C ATOM 409 C GLN A 26 1.106 11.128 1.953 1.00 0.00 C ATOM 410 O GLN A 26 2.019 10.395 2.323 1.00 0.00 O ATOM 411 CB GLN A 26 0.590 13.255 3.176 1.00 0.00 C ATOM 412 CG GLN A 26 1.439 14.431 3.686 1.00 0.00 C ATOM 413 CD GLN A 26 0.538 15.526 4.216 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.092 15.323 5.321 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.402 16.585 3.603 1.00 0.00 N flip ATOM 0 H GLN A 26 0.017 13.875 0.835 1.00 0.00 H new ATOM 0 HA GLN A 26 2.350 12.852 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.407 13.600 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.465 12.511 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.113 14.090 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.061 14.819 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.905 16.736 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.214 17.311 3.969 1.00 0.00 H new ATOM 424 N VAL A 27 -0.052 10.665 1.481 1.00 0.00 N ATOM 425 CA VAL A 27 -0.298 9.228 1.399 1.00 0.00 C ATOM 426 C VAL A 27 0.725 8.603 0.452 1.00 0.00 C ATOM 427 O VAL A 27 1.337 7.584 0.773 1.00 0.00 O ATOM 428 CB VAL A 27 -1.724 8.942 0.905 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.943 7.426 0.836 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.743 9.550 1.878 1.00 0.00 C ATOM 0 H VAL A 27 -0.820 11.252 1.156 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.197 8.792 2.393 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.856 9.383 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.954 7.220 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.223 6.985 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.807 6.993 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.753 9.344 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.609 9.110 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.592 10.628 1.937 1.00 0.00 H new ATOM 440 N LYS A 28 0.928 9.254 -0.696 1.00 0.00 N ATOM 441 CA LYS A 28 1.909 8.793 -1.675 1.00 0.00 C ATOM 442 C LYS A 28 3.316 8.845 -1.086 1.00 0.00 C ATOM 443 O LYS A 28 4.147 8.001 -1.393 1.00 0.00 O ATOM 444 CB LYS A 28 1.842 9.631 -2.967 1.00 0.00 C ATOM 445 CG LYS A 28 0.746 9.070 -3.886 1.00 0.00 C ATOM 446 CD LYS A 28 0.831 9.724 -5.274 1.00 0.00 C ATOM 447 CE LYS A 28 -0.074 10.962 -5.341 1.00 0.00 C ATOM 448 NZ LYS A 28 0.642 12.137 -4.768 1.00 0.00 N ATOM 0 H LYS A 28 0.426 10.100 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 28 1.670 7.760 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.631 10.673 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.805 9.610 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.856 7.989 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.235 9.254 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.862 10.008 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.534 9.007 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.355 11.164 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.996 10.781 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.002 12.668 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.461 11.810 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.967 12.755 -5.539 1.00 0.00 H new ATOM 462 N ALA A 29 3.563 9.846 -0.241 1.00 0.00 N ATOM 463 CA ALA A 29 4.856 10.024 0.397 1.00 0.00 C ATOM 464 C ALA A 29 5.102 8.931 1.398 1.00 0.00 C ATOM 465 O ALA A 29 6.190 8.368 1.453 1.00 0.00 O ATOM 466 CB ALA A 29 4.903 11.357 1.120 1.00 0.00 C ATOM 0 H ALA A 29 2.872 10.551 0.016 1.00 0.00 H new ATOM 0 HA ALA A 29 5.622 9.993 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.877 11.479 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.743 12.164 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.123 11.386 1.881 1.00 0.00 H new ATOM 472 N PHE A 30 4.074 8.623 2.177 1.00 0.00 N ATOM 473 CA PHE A 30 4.178 7.583 3.149 1.00 0.00 C ATOM 474 C PHE A 30 4.383 6.287 2.402 1.00 0.00 C ATOM 475 O PHE A 30 5.210 5.466 2.788 1.00 0.00 O ATOM 476 CB PHE A 30 2.925 7.534 4.016 1.00 0.00 C ATOM 477 CG PHE A 30 2.779 8.825 4.804 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.871 9.349 5.523 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.548 9.507 4.819 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.727 10.535 6.237 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.419 10.691 5.536 1.00 0.00 C ATOM 482 CZ PHE A 30 2.505 11.203 6.240 1.00 0.00 C ATOM 0 H PHE A 30 3.166 9.087 2.143 1.00 0.00 H new ATOM 0 HA PHE A 30 5.018 7.762 3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.046 7.381 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.980 6.687 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.819 8.831 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.704 9.111 4.274 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.563 10.938 6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.474 11.214 5.547 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.399 12.125 6.793 1.00 0.00 H new ATOM 492 N ILE A 31 3.667 6.157 1.276 1.00 0.00 N ATOM 493 CA ILE A 31 3.816 4.996 0.422 1.00 0.00 C ATOM 494 C ILE A 31 5.239 4.956 -0.099 1.00 0.00 C ATOM 495 O ILE A 31 5.882 3.930 -0.093 1.00 0.00 O ATOM 496 CB ILE A 31 2.811 5.027 -0.757 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.427 4.548 -0.264 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.306 4.126 -1.916 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.386 4.657 -1.383 1.00 0.00 C ATOM 0 H ILE A 31 2.987 6.842 0.947 1.00 0.00 H new ATOM 0 HA ILE A 31 3.605 4.099 1.004 1.00 0.00 H new ATOM 0 HB ILE A 31 2.730 6.048 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.495 3.515 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.113 5.146 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.588 4.160 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.274 4.484 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.405 3.100 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.581 4.315 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.305 5.695 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.693 4.039 -2.227 1.00 0.00 H new ATOM 511 N ASP A 32 5.718 6.094 -0.543 1.00 0.00 N ATOM 512 CA ASP A 32 7.067 6.184 -1.077 1.00 0.00 C ATOM 513 C ASP A 32 8.109 5.882 -0.010 1.00 0.00 C ATOM 514 O ASP A 32 9.096 5.195 -0.272 1.00 0.00 O ATOM 515 CB ASP A 32 7.277 7.579 -1.688 1.00 0.00 C ATOM 516 CG ASP A 32 6.431 7.757 -2.958 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.043 6.761 -3.556 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.172 8.896 -3.311 1.00 0.00 O ATOM 0 H ASP A 32 5.199 6.972 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 32 7.191 5.432 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.010 8.343 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.331 7.721 -1.926 1.00 0.00 H new ATOM 523 N SER A 33 7.858 6.363 1.193 1.00 0.00 N ATOM 524 CA SER A 33 8.747 6.110 2.321 1.00 0.00 C ATOM 525 C SER A 33 8.699 4.618 2.644 1.00 0.00 C ATOM 526 O SER A 33 9.712 3.989 2.941 1.00 0.00 O ATOM 527 CB SER A 33 8.299 6.937 3.520 1.00 0.00 C ATOM 528 OG SER A 33 8.351 8.317 3.184 1.00 0.00 O ATOM 0 H SER A 33 7.043 6.934 1.419 1.00 0.00 H new ATOM 0 HA SER A 33 9.770 6.395 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.286 6.659 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.942 6.735 4.377 1.00 0.00 H new ATOM 0 HG SER A 33 7.622 8.531 2.565 1.00 0.00 H new ATOM 534 N LEU A 34 7.492 4.076 2.515 1.00 0.00 N ATOM 535 CA LEU A 34 7.214 2.654 2.708 1.00 0.00 C ATOM 536 C LEU A 34 8.031 1.855 1.699 1.00 0.00 C ATOM 537 O LEU A 34 8.756 0.926 2.046 1.00 0.00 O ATOM 538 CB LEU A 34 5.717 2.459 2.442 1.00 0.00 C ATOM 539 CG LEU A 34 4.933 2.310 3.743 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.690 3.202 3.734 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.495 0.867 3.868 1.00 0.00 C ATOM 0 H LEU A 34 6.665 4.620 2.269 1.00 0.00 H new ATOM 0 HA LEU A 34 7.474 2.320 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.332 3.310 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.568 1.574 1.823 1.00 0.00 H new ATOM 0 HG LEU A 34 5.567 2.604 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.147 3.079 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.991 4.244 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.045 2.920 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.932 0.736 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.865 0.603 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.372 0.220 3.883 1.00 0.00 H new ATOM 553 N ARG A 35 7.906 2.265 0.448 1.00 0.00 N ATOM 554 CA ARG A 35 8.626 1.645 -0.667 1.00 0.00 C ATOM 555 C ARG A 35 10.137 1.741 -0.454 1.00 0.00 C ATOM 556 O ARG A 35 10.869 0.771 -0.661 1.00 0.00 O ATOM 557 CB ARG A 35 8.264 2.381 -1.959 1.00 0.00 C ATOM 558 CG ARG A 35 6.788 2.165 -2.275 1.00 0.00 C ATOM 559 CD ARG A 35 6.338 3.104 -3.394 1.00 0.00 C ATOM 560 NE ARG A 35 6.922 2.698 -4.657 1.00 0.00 N ATOM 561 CZ ARG A 35 6.475 1.645 -5.323 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.687 0.782 -4.737 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.802 1.494 -6.570 1.00 0.00 N ATOM 0 H ARG A 35 7.302 3.039 0.170 1.00 0.00 H new ATOM 0 HA ARG A 35 8.343 0.594 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.471 3.446 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.879 2.017 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.621 1.130 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.189 2.341 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.251 3.096 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.634 4.127 -3.161 1.00 0.00 H new ATOM 0 HE ARG A 35 7.697 3.237 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.415 0.919 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.344 -0.028 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.398 2.183 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.463 0.686 -7.092 1.00 0.00 H new ATOM 577 N ASP A 36 10.582 2.926 -0.034 1.00 0.00 N ATOM 578 CA ASP A 36 11.997 3.181 0.220 1.00 0.00 C ATOM 579 C ASP A 36 12.484 2.352 1.400 1.00 0.00 C ATOM 580 O ASP A 36 13.597 1.823 1.390 1.00 0.00 O ATOM 581 CB ASP A 36 12.208 4.662 0.506 1.00 0.00 C ATOM 582 CG ASP A 36 13.700 4.978 0.608 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.310 5.209 -0.423 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.212 4.979 1.717 1.00 0.00 O ATOM 0 H ASP A 36 9.976 3.728 0.138 1.00 0.00 H new ATOM 0 HA ASP A 36 12.569 2.898 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.757 5.260 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.708 4.934 1.435 1.00 0.00 H new ATOM 589 N ASP A 37 11.625 2.248 2.409 1.00 0.00 N ATOM 590 CA ASP A 37 11.936 1.484 3.608 1.00 0.00 C ATOM 591 C ASP A 37 10.666 0.851 4.160 1.00 0.00 C ATOM 592 O ASP A 37 9.902 1.487 4.894 1.00 0.00 O ATOM 593 CB ASP A 37 12.599 2.380 4.665 1.00 0.00 C ATOM 594 CG ASP A 37 13.251 1.519 5.752 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.540 0.765 6.398 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.454 1.624 5.921 1.00 0.00 O ATOM 0 H ASP A 37 10.704 2.686 2.418 1.00 0.00 H new ATOM 0 HA ASP A 37 12.640 0.693 3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.349 3.016 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.856 3.041 5.111 1.00 0.00 H new ATOM 601 N PRO A 38 10.425 -0.385 3.804 1.00 0.00 N ATOM 602 CA PRO A 38 9.221 -1.123 4.252 1.00 0.00 C ATOM 603 C PRO A 38 9.237 -1.444 5.740 1.00 0.00 C ATOM 604 O PRO A 38 8.186 -1.536 6.371 1.00 0.00 O ATOM 605 CB PRO A 38 9.211 -2.398 3.417 1.00 0.00 C ATOM 606 CG PRO A 38 10.391 -2.361 2.501 1.00 0.00 C ATOM 607 CD PRO A 38 11.283 -1.210 2.938 1.00 0.00 C ATOM 0 HA PRO A 38 8.324 -0.520 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.257 -3.276 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.286 -2.471 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.936 -3.304 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.069 -2.224 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.160 -1.570 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.645 -0.642 2.081 1.00 0.00 H new ATOM 615 N SER A 39 10.431 -1.595 6.297 1.00 0.00 N ATOM 616 CA SER A 39 10.565 -1.879 7.719 1.00 0.00 C ATOM 617 C SER A 39 10.001 -0.701 8.505 1.00 0.00 C ATOM 618 O SER A 39 9.483 -0.856 9.612 1.00 0.00 O ATOM 619 CB SER A 39 12.036 -2.096 8.086 1.00 0.00 C ATOM 620 OG SER A 39 12.609 -3.043 7.193 1.00 0.00 O ATOM 0 H SER A 39 11.314 -1.526 5.791 1.00 0.00 H new ATOM 0 HA SER A 39 10.016 -2.789 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.579 -1.153 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.118 -2.452 9.113 1.00 0.00 H new ATOM 0 HG SER A 39 13.551 -3.183 7.424 1.00 0.00 H new ATOM 626 N GLN A 40 10.114 0.480 7.895 1.00 0.00 N ATOM 627 CA GLN A 40 9.630 1.718 8.488 1.00 0.00 C ATOM 628 C GLN A 40 8.143 1.930 8.207 1.00 0.00 C ATOM 629 O GLN A 40 7.577 2.927 8.618 1.00 0.00 O ATOM 630 CB GLN A 40 10.417 2.908 7.913 1.00 0.00 C ATOM 631 CG GLN A 40 11.472 3.389 8.912 1.00 0.00 C ATOM 632 CD GLN A 40 12.624 2.388 8.997 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.440 1.262 9.460 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.807 2.733 8.572 1.00 0.00 N ATOM 0 H GLN A 40 10.544 0.600 6.978 1.00 0.00 H new ATOM 0 HA GLN A 40 9.774 1.649 9.566 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.898 2.616 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.733 3.723 7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.852 4.364 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.019 3.516 9.895 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.959 3.666 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.581 2.070 8.623 1.00 0.00 H new ATOM 643 N SER A 41 7.516 1.012 7.488 1.00 0.00 N ATOM 644 CA SER A 41 6.106 1.162 7.130 1.00 0.00 C ATOM 645 C SER A 41 5.240 1.517 8.342 1.00 0.00 C ATOM 646 O SER A 41 4.306 2.312 8.230 1.00 0.00 O ATOM 647 CB SER A 41 5.613 -0.158 6.545 1.00 0.00 C ATOM 648 OG SER A 41 5.678 -1.170 7.538 1.00 0.00 O ATOM 0 H SER A 41 7.954 0.159 7.141 1.00 0.00 H new ATOM 0 HA SER A 41 6.023 1.975 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.589 -0.050 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.223 -0.437 5.686 1.00 0.00 H new ATOM 0 HG SER A 41 6.540 -1.632 7.478 1.00 0.00 H new ATOM 654 N ALA A 42 5.580 0.955 9.494 1.00 0.00 N ATOM 655 CA ALA A 42 4.857 1.235 10.730 1.00 0.00 C ATOM 656 C ALA A 42 5.074 2.679 11.142 1.00 0.00 C ATOM 657 O ALA A 42 4.166 3.362 11.616 1.00 0.00 O ATOM 658 CB ALA A 42 5.414 0.353 11.832 1.00 0.00 C ATOM 0 H ALA A 42 6.355 0.300 9.600 1.00 0.00 H new ATOM 0 HA ALA A 42 3.795 1.046 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.882 0.553 12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.287 -0.695 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.474 0.566 11.968 1.00 0.00 H new ATOM 664 N ASN A 43 6.310 3.107 10.959 1.00 0.00 N ATOM 665 CA ASN A 43 6.740 4.444 11.298 1.00 0.00 C ATOM 666 C ASN A 43 6.090 5.481 10.392 1.00 0.00 C ATOM 667 O ASN A 43 5.789 6.595 10.801 1.00 0.00 O ATOM 668 CB ASN A 43 8.255 4.493 11.138 1.00 0.00 C ATOM 669 CG ASN A 43 8.942 3.983 12.401 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.884 4.629 13.447 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.592 2.852 12.366 1.00 0.00 N ATOM 0 H ASN A 43 7.050 2.525 10.566 1.00 0.00 H new ATOM 0 HA ASN A 43 6.445 4.676 12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.556 3.887 10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.572 5.515 10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.053 2.502 13.206 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.639 2.318 11.498 1.00 0.00 H new ATOM 678 N LEU A 44 5.899 5.082 9.154 1.00 0.00 N ATOM 679 CA LEU A 44 5.306 5.912 8.124 1.00 0.00 C ATOM 680 C LEU A 44 3.843 6.008 8.373 1.00 0.00 C ATOM 681 O LEU A 44 3.236 7.064 8.254 1.00 0.00 O ATOM 682 CB LEU A 44 5.644 5.258 6.798 1.00 0.00 C ATOM 683 CG LEU A 44 7.169 5.168 6.776 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.660 4.222 5.702 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.712 6.562 6.588 1.00 0.00 C ATOM 0 H LEU A 44 6.157 4.151 8.826 1.00 0.00 H new ATOM 0 HA LEU A 44 5.688 6.933 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.190 4.270 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.272 5.849 5.961 1.00 0.00 H new ATOM 0 HG LEU A 44 7.529 4.756 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.749 4.186 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.261 3.224 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.324 4.573 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.801 6.529 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.345 6.972 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.383 7.195 7.412 1.00 0.00 H new ATOM 697 N LEU A 45 3.325 4.892 8.811 1.00 0.00 N ATOM 698 CA LEU A 45 1.940 4.803 9.211 1.00 0.00 C ATOM 699 C LEU A 45 1.758 5.725 10.407 1.00 0.00 C ATOM 700 O LEU A 45 0.753 6.419 10.543 1.00 0.00 O ATOM 701 CB LEU A 45 1.605 3.349 9.568 1.00 0.00 C ATOM 702 CG LEU A 45 0.315 3.271 10.393 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.851 3.888 9.613 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.023 1.802 10.705 1.00 0.00 C ATOM 0 H LEU A 45 3.846 4.020 8.902 1.00 0.00 H new ATOM 0 HA LEU A 45 1.268 5.106 8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.494 2.763 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.428 2.910 10.131 1.00 0.00 H new ATOM 0 HG LEU A 45 0.437 3.829 11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.761 3.826 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.630 4.933 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.992 3.344 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.893 1.730 11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.099 1.249 9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.852 1.379 11.272 1.00 0.00 H new ATOM 716 N ALA A 46 2.786 5.740 11.243 1.00 0.00 N ATOM 717 CA ALA A 46 2.815 6.582 12.424 1.00 0.00 C ATOM 718 C ALA A 46 2.831 8.035 12.012 1.00 0.00 C ATOM 719 O ALA A 46 2.085 8.865 12.534 1.00 0.00 O ATOM 720 CB ALA A 46 4.080 6.301 13.228 1.00 0.00 C ATOM 0 H ALA A 46 3.622 5.168 11.119 1.00 0.00 H new ATOM 0 HA ALA A 46 1.932 6.370 13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.097 6.936 14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.093 5.254 13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.956 6.512 12.614 1.00 0.00 H new ATOM 726 N GLU A 47 3.688 8.308 11.042 1.00 0.00 N ATOM 727 CA GLU A 47 3.838 9.628 10.492 1.00 0.00 C ATOM 728 C GLU A 47 2.539 10.060 9.869 1.00 0.00 C ATOM 729 O GLU A 47 2.141 11.211 9.958 1.00 0.00 O ATOM 730 CB GLU A 47 4.893 9.578 9.399 1.00 0.00 C ATOM 731 CG GLU A 47 6.305 9.649 9.963 1.00 0.00 C ATOM 732 CD GLU A 47 6.479 10.881 10.858 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.256 11.981 10.374 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.820 10.706 12.017 1.00 0.00 O ATOM 0 H GLU A 47 4.299 7.610 10.618 1.00 0.00 H new ATOM 0 HA GLU A 47 4.125 10.324 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.778 8.658 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.737 10.406 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.517 8.746 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.025 9.684 9.146 1.00 0.00 H new ATOM 741 N ALA A 48 1.890 9.107 9.236 1.00 0.00 N ATOM 742 CA ALA A 48 0.640 9.352 8.584 1.00 0.00 C ATOM 743 C ALA A 48 -0.414 9.681 9.610 1.00 0.00 C ATOM 744 O ALA A 48 -1.121 10.671 9.476 1.00 0.00 O ATOM 745 CB ALA A 48 0.263 8.113 7.805 1.00 0.00 C ATOM 0 H ALA A 48 2.221 8.145 9.164 1.00 0.00 H new ATOM 0 HA ALA A 48 0.722 10.199 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.688 8.277 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.035 7.899 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.170 7.268 8.488 1.00 0.00 H new ATOM 751 N LYS A 49 -0.481 8.866 10.659 1.00 0.00 N ATOM 752 CA LYS A 49 -1.425 9.119 11.730 1.00 0.00 C ATOM 753 C LYS A 49 -1.123 10.482 12.321 1.00 0.00 C ATOM 754 O LYS A 49 -2.025 11.187 12.750 1.00 0.00 O ATOM 755 CB LYS A 49 -1.327 8.040 12.817 1.00 0.00 C ATOM 756 CG LYS A 49 -1.922 6.721 12.303 1.00 0.00 C ATOM 757 CD LYS A 49 -1.894 5.673 13.424 1.00 0.00 C ATOM 758 CE LYS A 49 -2.391 4.326 12.888 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.675 3.411 14.030 1.00 0.00 N ATOM 0 H LYS A 49 0.100 8.037 10.785 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.439 9.095 11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.285 7.892 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.859 8.364 13.712 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.946 6.879 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.354 6.364 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.881 5.569 13.812 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.521 5.998 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.291 4.470 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.641 3.884 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.012 2.497 13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.806 3.265 14.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.405 3.832 14.639 1.00 0.00 H new ATOM 773 N LYS A 50 0.160 10.856 12.309 1.00 0.00 N ATOM 774 CA LYS A 50 0.572 12.139 12.824 1.00 0.00 C ATOM 775 C LYS A 50 0.147 13.244 11.879 1.00 0.00 C ATOM 776 O LYS A 50 -0.325 14.298 12.309 1.00 0.00 O ATOM 777 CB LYS A 50 2.091 12.144 13.021 1.00 0.00 C ATOM 778 CG LYS A 50 2.533 13.409 13.766 1.00 0.00 C ATOM 779 CD LYS A 50 4.045 13.348 14.015 1.00 0.00 C ATOM 780 CE LYS A 50 4.806 13.701 12.730 1.00 0.00 C ATOM 781 NZ LYS A 50 6.256 13.415 12.919 1.00 0.00 N ATOM 0 H LYS A 50 0.920 10.281 11.946 1.00 0.00 H new ATOM 0 HA LYS A 50 0.092 12.316 13.786 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.393 11.260 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.589 12.093 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.285 14.295 13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.000 13.492 14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.319 14.041 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.326 12.350 14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.416 13.122 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.660 14.753 12.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.803 13.880 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.564 13.777 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.415 12.388 12.879 1.00 0.00 H new ATOM 795 N LEU A 51 0.312 12.985 10.591 1.00 0.00 N ATOM 796 CA LEU A 51 -0.061 13.949 9.575 1.00 0.00 C ATOM 797 C LEU A 51 -1.570 14.076 9.515 1.00 0.00 C ATOM 798 O LEU A 51 -2.112 15.174 9.401 1.00 0.00 O ATOM 799 CB LEU A 51 0.488 13.534 8.203 1.00 0.00 C ATOM 800 CG LEU A 51 1.836 14.217 7.917 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.721 15.736 8.103 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.924 13.652 8.844 1.00 0.00 C ATOM 0 H LEU A 51 0.702 12.115 10.228 1.00 0.00 H new ATOM 0 HA LEU A 51 0.371 14.915 9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.611 12.451 8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.229 13.798 7.426 1.00 0.00 H new ATOM 0 HG LEU A 51 2.113 14.015 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.685 16.202 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.972 16.131 7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.424 15.956 9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.874 14.143 8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.646 13.832 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.025 12.580 8.676 1.00 0.00 H new ATOM 814 N ASN A 52 -2.234 12.933 9.613 1.00 0.00 N ATOM 815 CA ASN A 52 -3.680 12.884 9.596 1.00 0.00 C ATOM 816 C ASN A 52 -4.217 13.591 10.821 1.00 0.00 C ATOM 817 O ASN A 52 -5.138 14.399 10.731 1.00 0.00 O ATOM 818 CB ASN A 52 -4.142 11.428 9.593 1.00 0.00 C ATOM 819 CG ASN A 52 -5.606 11.319 9.987 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.480 11.554 9.167 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.925 10.974 11.203 1.00 0.00 N ATOM 0 H ASN A 52 -1.785 12.022 9.706 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.054 13.378 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.996 10.999 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.532 10.848 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.906 10.900 11.471 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.193 10.778 11.886 1.00 0.00 H new ATOM 828 N ASP A 53 -3.613 13.281 11.966 1.00 0.00 N ATOM 829 CA ASP A 53 -4.021 13.899 13.214 1.00 0.00 C ATOM 830 C ASP A 53 -3.780 15.401 13.145 1.00 0.00 C ATOM 831 O ASP A 53 -4.600 16.199 13.604 1.00 0.00 O ATOM 832 CB ASP A 53 -3.261 13.293 14.403 1.00 0.00 C ATOM 833 CG ASP A 53 -3.720 11.852 14.695 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.687 11.401 14.093 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.084 11.216 15.518 1.00 0.00 O ATOM 0 H ASP A 53 -2.848 12.612 12.050 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.084 13.710 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.191 13.299 14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.416 13.911 15.287 1.00 0.00 H new ATOM 840 N ALA A 54 -2.654 15.771 12.539 1.00 0.00 N ATOM 841 CA ALA A 54 -2.300 17.168 12.371 1.00 0.00 C ATOM 842 C ALA A 54 -3.302 17.843 11.439 1.00 0.00 C ATOM 843 O ALA A 54 -3.682 18.996 11.647 1.00 0.00 O ATOM 844 CB ALA A 54 -0.892 17.275 11.784 1.00 0.00 C ATOM 0 H ALA A 54 -1.972 15.116 12.157 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.322 17.665 13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.629 18.325 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.180 16.800 12.459 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.863 16.776 10.815 1.00 0.00 H new ATOM 850 N GLN A 55 -3.726 17.100 10.414 1.00 0.00 N ATOM 851 CA GLN A 55 -4.691 17.603 9.441 1.00 0.00 C ATOM 852 C GLN A 55 -6.129 17.361 9.908 1.00 0.00 C ATOM 853 O GLN A 55 -7.081 17.731 9.216 1.00 0.00 O ATOM 854 CB GLN A 55 -4.453 16.900 8.106 1.00 0.00 C ATOM 855 CG GLN A 55 -3.160 17.424 7.473 1.00 0.00 C ATOM 856 CD GLN A 55 -2.787 16.559 6.279 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.503 15.306 6.472 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -2.757 17.033 5.144 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.413 16.145 10.238 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.554 18.679 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.385 15.823 8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.295 17.075 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.292 18.459 7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.354 17.414 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.981 18.017 4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.509 16.442 4.351 1.00 0.00 H new ATOM 867 N ALA A 56 -6.281 16.737 11.079 1.00 0.00 N ATOM 868 CA ALA A 56 -7.609 16.448 11.621 1.00 0.00 C ATOM 869 C ALA A 56 -8.293 17.726 12.089 1.00 0.00 C ATOM 870 O ALA A 56 -7.647 18.602 12.665 1.00 0.00 O ATOM 871 CB ALA A 56 -7.505 15.458 12.786 1.00 0.00 C ATOM 0 H ALA A 56 -5.507 16.425 11.665 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.209 16.003 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.501 15.253 13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.055 14.529 12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.885 15.887 13.574 1.00 0.00 H new ATOM 877 N PRO A 57 -9.584 17.846 11.836 1.00 0.00 N ATOM 878 CA PRO A 57 -10.402 19.024 12.211 1.00 0.00 C ATOM 879 C PRO A 57 -10.099 19.554 13.602 1.00 0.00 C ATOM 880 O PRO A 57 -9.710 18.816 14.511 1.00 0.00 O ATOM 881 CB PRO A 57 -11.847 18.511 12.152 1.00 0.00 C ATOM 882 CG PRO A 57 -11.772 17.073 11.797 1.00 0.00 C ATOM 883 CD PRO A 57 -10.431 16.883 11.133 1.00 0.00 C ATOM 0 HA PRO A 57 -10.198 19.860 11.542 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.346 18.648 13.111 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.424 19.063 11.411 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.861 16.446 12.684 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.584 16.793 11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.064 15.863 11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.476 17.089 10.064 1.00 0.00 H new ATOM 891 N LYS A 58 -10.297 20.848 13.728 1.00 0.00 N ATOM 892 CA LYS A 58 -10.070 21.565 14.984 1.00 0.00 C ATOM 893 C LYS A 58 -11.143 22.634 15.198 1.00 0.00 C ATOM 894 O LYS A 58 -11.475 23.318 14.242 1.00 0.00 O ATOM 895 CB LYS A 58 -8.691 22.217 14.966 1.00 0.00 C ATOM 896 CG LYS A 58 -7.605 21.136 14.928 1.00 0.00 C ATOM 897 CD LYS A 58 -6.219 21.789 14.956 1.00 0.00 C ATOM 898 CE LYS A 58 -5.134 20.711 14.839 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.335 19.931 13.583 1.00 0.00 N ATOM 900 OXT LYS A 58 -11.616 22.756 16.317 1.00 0.00 O ATOM 0 H LYS A 58 -10.621 21.443 12.965 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.123 20.849 15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.598 22.869 14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.563 22.843 15.849 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.718 20.465 15.779 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.713 20.531 14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.126 22.502 14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.090 22.349 15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.147 21.173 14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.173 20.046 15.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.436 19.491 13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.047 19.191 13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.662 20.567 12.828 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -12.801 -7.553 5.739 1.00 0.00 N ATOM 916 CA VAL B 1 -13.991 -6.965 5.057 1.00 0.00 C ATOM 917 C VAL B 1 -14.954 -8.092 4.671 1.00 0.00 C ATOM 918 O VAL B 1 -15.026 -9.115 5.356 1.00 0.00 O ATOM 919 CB VAL B 1 -13.539 -6.183 3.806 1.00 0.00 C ATOM 920 CG1 VAL B 1 -12.549 -5.083 4.205 1.00 0.00 C ATOM 921 CG2 VAL B 1 -12.878 -7.142 2.804 1.00 0.00 C ATOM 0 H1 VAL B 1 -12.083 -6.814 5.883 1.00 0.00 H new ATOM 0 H2 VAL B 1 -13.086 -7.943 6.660 1.00 0.00 H new ATOM 0 H3 VAL B 1 -12.403 -8.312 5.150 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.502 -6.275 5.728 1.00 0.00 H new ATOM 0 HB VAL B 1 -14.410 -5.723 3.340 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.235 -4.536 3.316 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -13.029 -4.397 4.903 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.678 -5.533 4.681 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.561 -6.585 1.922 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -12.011 -7.612 3.268 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -13.593 -7.910 2.510 1.00 0.00 H new ATOM 933 N ASP B 2 -15.690 -7.896 3.572 1.00 0.00 N ATOM 934 CA ASP B 2 -16.643 -8.893 3.100 1.00 0.00 C ATOM 935 C ASP B 2 -15.942 -10.187 2.680 1.00 0.00 C ATOM 936 O ASP B 2 -16.424 -11.285 2.967 1.00 0.00 O ATOM 937 CB ASP B 2 -17.449 -8.326 1.918 1.00 0.00 C ATOM 938 CG ASP B 2 -16.547 -8.099 0.694 1.00 0.00 C ATOM 939 OD1 ASP B 2 -15.525 -7.443 0.836 1.00 0.00 O ATOM 940 OD2 ASP B 2 -16.894 -8.588 -0.368 1.00 0.00 O ATOM 0 H ASP B 2 -15.641 -7.055 2.997 1.00 0.00 H new ATOM 0 HA ASP B 2 -17.317 -9.130 3.923 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -18.254 -9.014 1.659 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -17.916 -7.385 2.210 1.00 0.00 H new ATOM 945 N ASN B 3 -14.806 -10.042 2.002 1.00 0.00 N ATOM 946 CA ASN B 3 -14.032 -11.179 1.536 1.00 0.00 C ATOM 947 C ASN B 3 -12.947 -11.537 2.545 1.00 0.00 C ATOM 948 O ASN B 3 -12.380 -10.655 3.199 1.00 0.00 O ATOM 949 CB ASN B 3 -13.382 -10.844 0.188 1.00 0.00 C ATOM 950 CG ASN B 3 -14.447 -10.449 -0.833 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.267 -9.388 -1.569 1.00 0.00 O flip ATOM 952 ND2 ASN B 3 -15.469 -11.122 -0.961 1.00 0.00 N flip ATOM 0 H ASN B 3 -14.402 -9.136 1.764 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.702 -12.031 1.421 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.669 -10.029 0.313 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.821 -11.705 -0.176 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.609 -11.952 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -16.177 -10.850 -1.644 1.00 0.00 H new ATOM 959 N LYS B 4 -12.644 -12.834 2.649 1.00 0.00 N ATOM 960 CA LYS B 4 -11.601 -13.303 3.566 1.00 0.00 C ATOM 961 C LYS B 4 -10.231 -12.821 3.094 1.00 0.00 C ATOM 962 O LYS B 4 -9.224 -12.976 3.789 1.00 0.00 O ATOM 963 CB LYS B 4 -11.612 -14.840 3.657 1.00 0.00 C ATOM 964 CG LYS B 4 -11.523 -15.464 2.249 1.00 0.00 C ATOM 965 CD LYS B 4 -10.313 -16.411 2.154 1.00 0.00 C ATOM 966 CE LYS B 4 -9.010 -15.605 2.034 1.00 0.00 C ATOM 967 NZ LYS B 4 -7.977 -16.426 1.341 1.00 0.00 N ATOM 0 H LYS B 4 -13.102 -13.573 2.115 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.803 -12.893 4.556 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.774 -15.180 4.266 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.523 -15.175 4.153 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.439 -16.012 2.029 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.435 -14.676 1.501 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.273 -17.050 3.036 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.423 -17.067 1.290 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.190 -14.684 1.479 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.656 -15.317 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.051 -16.267 1.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.228 -17.433 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -7.931 -16.152 0.339 1.00 0.00 H new ATOM 981 N PHE B 5 -10.216 -12.244 1.895 1.00 0.00 N ATOM 982 CA PHE B 5 -9.005 -11.739 1.283 1.00 0.00 C ATOM 983 C PHE B 5 -8.466 -10.507 1.988 1.00 0.00 C ATOM 984 O PHE B 5 -7.513 -9.918 1.518 1.00 0.00 O ATOM 985 CB PHE B 5 -9.271 -11.439 -0.194 1.00 0.00 C ATOM 986 CG PHE B 5 -9.324 -12.750 -0.932 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.389 -13.628 -0.707 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.294 -13.103 -1.810 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.428 -14.859 -1.366 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.330 -14.336 -2.465 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.397 -15.213 -2.244 1.00 0.00 C ATOM 0 H PHE B 5 -11.051 -12.116 1.324 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.239 -12.509 1.374 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.210 -10.898 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.485 -10.804 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.180 -13.355 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.472 -12.423 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.252 -15.536 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.535 -14.612 -3.142 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.425 -16.166 -2.752 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.046 -10.130 3.127 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.527 -8.977 3.865 1.00 0.00 C ATOM 1003 C ASN B 6 -7.068 -9.258 4.200 1.00 0.00 C ATOM 1004 O ASN B 6 -6.197 -8.431 3.947 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.340 -8.749 5.147 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.101 -7.341 5.695 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -10.044 -6.673 6.117 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.893 -6.845 5.717 1.00 0.00 N ATOM 0 H ASN B 6 -9.852 -10.590 3.550 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.608 -8.074 3.261 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.401 -8.889 4.941 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.061 -9.489 5.897 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.734 -5.906 6.083 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.109 -7.396 5.368 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.819 -10.465 4.708 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.466 -10.913 5.027 1.00 0.00 C ATOM 1017 C LYS B 7 -4.633 -10.992 3.748 1.00 0.00 C ATOM 1018 O LYS B 7 -3.481 -10.555 3.708 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.545 -12.303 5.682 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.139 -12.864 5.943 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.254 -14.281 6.523 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.858 -14.851 6.804 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.342 -14.299 8.089 1.00 0.00 N ATOM 0 H LYS B 7 -7.544 -11.154 4.908 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.995 -10.208 5.712 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.095 -12.237 6.621 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.099 -12.984 5.035 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.566 -12.884 5.016 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.601 -12.218 6.637 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.838 -14.259 7.443 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.785 -14.927 5.823 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.902 -15.939 6.855 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.180 -14.598 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.311 -14.429 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.566 -13.285 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.789 -14.797 8.885 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.244 -11.568 2.715 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.599 -11.743 1.416 1.00 0.00 C ATOM 1039 C GLU B 8 -4.315 -10.397 0.749 1.00 0.00 C ATOM 1040 O GLU B 8 -3.316 -10.238 0.042 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.528 -12.567 0.503 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.855 -13.927 1.148 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.576 -14.662 1.559 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.759 -14.926 0.691 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.430 -14.938 2.739 1.00 0.00 O ATOM 0 H GLU B 8 -6.198 -11.926 2.755 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.650 -12.257 1.570 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.450 -12.015 0.319 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.051 -12.723 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.489 -13.776 2.022 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.421 -14.540 0.446 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.216 -9.445 0.970 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.107 -8.123 0.395 1.00 0.00 C ATOM 1054 C ARG B 9 -3.944 -7.366 1.008 1.00 0.00 C ATOM 1055 O ARG B 9 -3.237 -6.656 0.312 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.411 -7.350 0.628 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.303 -5.943 0.027 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.666 -5.254 0.086 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.053 -5.032 1.476 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.318 -5.129 1.866 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.264 -4.561 1.171 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.612 -5.791 2.946 1.00 0.00 N ATOM 0 H ARG B 9 -6.041 -9.576 1.555 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.929 -8.222 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.246 -7.885 0.175 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.617 -7.283 1.696 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.565 -5.358 0.575 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.959 -6.003 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.625 -4.303 -0.445 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.415 -5.867 -0.415 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.336 -4.797 2.162 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -10.033 -4.040 0.325 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.235 -4.637 1.473 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.872 -6.234 3.490 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.583 -5.868 3.249 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.759 -7.527 2.320 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.689 -6.827 3.027 1.00 0.00 C ATOM 1078 C VAL B 10 -1.345 -7.152 2.395 1.00 0.00 C ATOM 1079 O VAL B 10 -0.484 -6.283 2.267 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.666 -7.222 4.511 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.628 -6.376 5.255 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.067 -7.050 5.139 1.00 0.00 C ATOM 0 H VAL B 10 -4.332 -8.131 2.909 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.877 -5.756 2.952 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.387 -8.272 4.596 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.615 -6.659 6.308 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.642 -6.545 4.821 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.887 -5.321 5.166 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.032 -7.334 6.191 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.378 -6.009 5.055 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.781 -7.685 4.615 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.184 -8.402 1.986 1.00 0.00 N ATOM 1093 CA ILE B 11 0.047 -8.830 1.347 1.00 0.00 C ATOM 1094 C ILE B 11 0.163 -8.199 -0.035 1.00 0.00 C ATOM 1095 O ILE B 11 1.252 -7.792 -0.440 1.00 0.00 O ATOM 1096 CB ILE B 11 0.098 -10.358 1.265 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.147 -10.920 2.685 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.476 -10.797 0.731 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.572 -12.261 2.887 1.00 0.00 C ATOM 0 H ILE B 11 -1.888 -9.133 2.086 1.00 0.00 H new ATOM 0 HA ILE B 11 0.896 -8.498 1.945 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.665 -10.738 0.586 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.202 -10.202 3.427 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.217 -11.051 2.847 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.514 -11.885 0.672 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.633 -10.374 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.257 -10.443 1.404 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.380 -12.629 3.895 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.203 -12.985 2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.644 -12.123 2.750 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.967 -8.103 -0.752 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.962 -7.500 -2.071 1.00 0.00 C ATOM 1113 C ALA B 12 -0.642 -6.042 -1.965 1.00 0.00 C ATOM 1114 O ALA B 12 0.168 -5.545 -2.734 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.308 -7.681 -2.769 1.00 0.00 C ATOM 0 H ALA B 12 -1.879 -8.434 -0.436 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.198 -8.001 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.272 -7.218 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.523 -8.744 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.092 -7.210 -2.176 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.222 -5.376 -0.970 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.922 -3.976 -0.756 1.00 0.00 C ATOM 1123 C ILE B 13 0.581 -3.898 -0.566 1.00 0.00 C ATOM 1124 O ILE B 13 1.226 -2.988 -1.040 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.642 -3.454 0.501 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.155 -3.618 0.373 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.363 -1.966 0.698 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.783 -3.420 1.734 1.00 0.00 C ATOM 0 H ILE B 13 -1.890 -5.780 -0.313 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.256 -3.366 -1.595 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.269 -4.033 1.346 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.555 -2.893 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.396 -4.608 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.880 -1.614 1.591 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.291 -1.809 0.814 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.719 -1.411 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.864 -3.535 1.656 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.389 -4.162 2.428 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.550 -2.420 2.100 1.00 0.00 H new ATOM 1140 N GLY B 14 1.115 -4.919 0.099 1.00 0.00 N ATOM 1141 CA GLY B 14 2.548 -5.033 0.337 1.00 0.00 C ATOM 1142 C GLY B 14 3.326 -5.294 -0.952 1.00 0.00 C ATOM 1143 O GLY B 14 4.416 -4.758 -1.136 1.00 0.00 O ATOM 0 H GLY B 14 0.567 -5.687 0.486 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.912 -4.116 0.800 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.735 -5.842 1.043 1.00 0.00 H new ATOM 1147 N GLU B 15 2.771 -6.130 -1.836 1.00 0.00 N ATOM 1148 CA GLU B 15 3.444 -6.472 -3.084 1.00 0.00 C ATOM 1149 C GLU B 15 3.596 -5.245 -3.941 1.00 0.00 C ATOM 1150 O GLU B 15 4.656 -5.027 -4.518 1.00 0.00 O ATOM 1151 CB GLU B 15 2.641 -7.522 -3.849 1.00 0.00 C ATOM 1152 CG GLU B 15 3.556 -8.361 -4.762 1.00 0.00 C ATOM 1153 CD GLU B 15 3.418 -9.846 -4.416 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.027 -10.265 -3.444 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.705 -10.540 -5.121 1.00 0.00 O ATOM 0 H GLU B 15 1.863 -6.577 -1.708 1.00 0.00 H new ATOM 0 HA GLU B 15 4.428 -6.875 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.126 -8.176 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.874 -7.032 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.292 -8.196 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.592 -8.045 -4.642 1.00 0.00 H new ATOM 1162 N ILE B 16 2.537 -4.437 -4.021 1.00 0.00 N ATOM 1163 CA ILE B 16 2.627 -3.223 -4.849 1.00 0.00 C ATOM 1164 C ILE B 16 3.793 -2.366 -4.355 1.00 0.00 C ATOM 1165 O ILE B 16 4.635 -1.911 -5.128 1.00 0.00 O ATOM 1166 CB ILE B 16 1.368 -2.322 -4.751 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.065 -3.126 -4.676 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.313 -1.392 -5.967 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.172 -3.880 -5.970 1.00 0.00 C ATOM 0 H ILE B 16 1.645 -4.585 -3.549 1.00 0.00 H new ATOM 0 HA ILE B 16 2.746 -3.566 -5.877 1.00 0.00 H new ATOM 0 HB ILE B 16 1.453 -1.752 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.112 -3.828 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.772 -2.455 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.429 -0.758 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.206 -0.768 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.264 -1.988 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.102 -4.445 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.241 -3.172 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.656 -4.566 -6.148 1.00 0.00 H new ATOM 1181 N MET B 17 3.797 -2.160 -3.049 1.00 0.00 N ATOM 1182 CA MET B 17 4.810 -1.364 -2.365 1.00 0.00 C ATOM 1183 C MET B 17 6.204 -1.976 -2.540 1.00 0.00 C ATOM 1184 O MET B 17 7.190 -1.246 -2.661 1.00 0.00 O ATOM 1185 CB MET B 17 4.417 -1.274 -0.900 1.00 0.00 C ATOM 1186 CG MET B 17 2.969 -0.768 -0.807 1.00 0.00 C ATOM 1187 SD MET B 17 2.891 0.958 -1.283 1.00 0.00 S ATOM 1188 CE MET B 17 3.837 1.563 0.112 1.00 0.00 C ATOM 0 H MET B 17 3.089 -2.544 -2.423 1.00 0.00 H new ATOM 0 HA MET B 17 4.859 -0.364 -2.795 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.507 -2.251 -0.424 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.088 -0.598 -0.370 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.325 -1.362 -1.456 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.597 -0.890 0.210 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.294 2.376 0.595 1.00 0.00 H new ATOM 0 HE2 MET B 17 3.990 0.754 0.826 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.804 1.928 -0.235 1.00 0.00 H new ATOM 1198 N ARG B 18 6.279 -3.314 -2.582 1.00 0.00 N ATOM 1199 CA ARG B 18 7.560 -3.996 -2.778 1.00 0.00 C ATOM 1200 C ARG B 18 8.129 -3.672 -4.154 1.00 0.00 C ATOM 1201 O ARG B 18 9.341 -3.513 -4.309 1.00 0.00 O ATOM 1202 CB ARG B 18 7.397 -5.506 -2.655 1.00 0.00 C ATOM 1203 CG ARG B 18 7.063 -5.895 -1.210 1.00 0.00 C ATOM 1204 CD ARG B 18 8.147 -6.817 -0.636 1.00 0.00 C ATOM 1205 NE ARG B 18 8.127 -8.115 -1.310 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.109 -8.956 -1.161 1.00 0.00 C ATOM 1207 NH1 ARG B 18 6.083 -8.883 -1.960 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.137 -9.851 -0.214 1.00 0.00 N ATOM 0 H ARG B 18 5.477 -3.936 -2.484 1.00 0.00 H new ATOM 0 HA ARG B 18 8.243 -3.645 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.605 -5.848 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.315 -6.003 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.978 -4.998 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.096 -6.397 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.127 -6.354 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.987 -6.954 0.434 1.00 0.00 H new ATOM 0 HE ARG B 18 8.911 -8.380 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.061 -8.181 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG B 18 5.301 -9.528 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.940 -9.906 0.412 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.356 -10.497 -0.099 1.00 0.00 H new ATOM 1222 N LEU B 19 7.236 -3.574 -5.147 1.00 0.00 N ATOM 1223 CA LEU B 19 7.645 -3.266 -6.516 1.00 0.00 C ATOM 1224 C LEU B 19 8.332 -1.908 -6.563 1.00 0.00 C ATOM 1225 O LEU B 19 7.690 -0.887 -6.339 1.00 0.00 O ATOM 1226 CB LEU B 19 6.429 -3.232 -7.451 1.00 0.00 C ATOM 1227 CG LEU B 19 5.710 -4.583 -7.505 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.412 -4.433 -8.292 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.577 -5.613 -8.203 1.00 0.00 C ATOM 0 H LEU B 19 6.232 -3.703 -5.025 1.00 0.00 H new ATOM 0 HA LEU B 19 8.333 -4.045 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.733 -2.464 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.751 -2.952 -8.454 1.00 0.00 H new ATOM 0 HG LEU B 19 5.504 -4.909 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.898 -5.393 -8.332 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.772 -3.699 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.637 -4.099 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.053 -6.568 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.788 -5.282 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.513 -5.730 -7.658 1.00 0.00 H new ATOM 1241 N PRO B 20 9.617 -1.873 -6.836 1.00 0.00 N ATOM 1242 CA PRO B 20 10.388 -0.604 -6.898 1.00 0.00 C ATOM 1243 C PRO B 20 10.211 0.156 -8.218 1.00 0.00 C ATOM 1244 O PRO B 20 10.628 1.311 -8.322 1.00 0.00 O ATOM 1245 CB PRO B 20 11.849 -1.057 -6.731 1.00 0.00 C ATOM 1246 CG PRO B 20 11.837 -2.544 -6.582 1.00 0.00 C ATOM 1247 CD PRO B 20 10.498 -3.019 -7.111 1.00 0.00 C ATOM 0 HA PRO B 20 10.049 0.097 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.444 -0.762 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.300 -0.587 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.657 -2.996 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.965 -2.830 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.542 -3.250 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.159 -3.922 -6.603 1.00 0.00 H new ATOM 1255 N ASN B 21 9.622 -0.495 -9.229 1.00 0.00 N ATOM 1256 CA ASN B 21 9.445 0.146 -10.533 1.00 0.00 C ATOM 1257 C ASN B 21 8.103 0.875 -10.644 1.00 0.00 C ATOM 1258 O ASN B 21 7.944 1.732 -11.516 1.00 0.00 O ATOM 1259 CB ASN B 21 9.565 -0.892 -11.652 1.00 0.00 C ATOM 1260 CG ASN B 21 10.887 -1.650 -11.541 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.922 -2.915 -11.845 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.913 -1.075 -11.178 1.00 0.00 N flip ATOM 0 H ASN B 21 9.266 -1.449 -9.170 1.00 0.00 H new ATOM 0 HA ASN B 21 10.234 0.891 -10.635 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.732 -1.593 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.503 -0.398 -12.622 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.885 -0.084 -10.940 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.791 -1.590 -11.115 1.00 0.00 H new ATOM 1269 N LEU B 22 7.133 0.541 -9.777 1.00 0.00 N ATOM 1270 CA LEU B 22 5.826 1.204 -9.845 1.00 0.00 C ATOM 1271 C LEU B 22 5.901 2.658 -9.400 1.00 0.00 C ATOM 1272 O LEU B 22 6.777 3.059 -8.633 1.00 0.00 O ATOM 1273 CB LEU B 22 4.763 0.496 -8.983 1.00 0.00 C ATOM 1274 CG LEU B 22 4.572 -0.957 -9.400 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.301 -1.516 -8.752 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.424 -1.025 -10.899 1.00 0.00 C ATOM 0 H LEU B 22 7.225 -0.162 -9.044 1.00 0.00 H new ATOM 0 HA LEU B 22 5.534 1.153 -10.894 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.059 0.537 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.814 1.026 -9.068 1.00 0.00 H new ATOM 0 HG LEU B 22 5.435 -1.542 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.167 -2.555 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.391 -1.460 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.440 -0.931 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.287 -2.062 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.558 -0.439 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.320 -0.623 -11.372 1.00 0.00 H new ATOM 1288 N ASN B 23 4.943 3.426 -9.897 1.00 0.00 N ATOM 1289 CA ASN B 23 4.818 4.836 -9.582 1.00 0.00 C ATOM 1290 C ASN B 23 4.038 4.986 -8.274 1.00 0.00 C ATOM 1291 O ASN B 23 3.265 4.099 -7.916 1.00 0.00 O ATOM 1292 CB ASN B 23 4.055 5.481 -10.752 1.00 0.00 C ATOM 1293 CG ASN B 23 3.781 6.948 -10.536 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.115 7.321 -9.590 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.213 7.791 -11.405 1.00 0.00 N ATOM 0 H ASN B 23 4.226 3.082 -10.536 1.00 0.00 H new ATOM 0 HA ASN B 23 5.788 5.316 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN B 23 4.632 5.355 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.110 4.957 -10.896 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.998 8.783 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.771 7.468 -12.195 1.00 0.00 H new ATOM 1302 N SER B 24 4.218 6.111 -7.576 1.00 0.00 N ATOM 1303 CA SER B 24 3.490 6.342 -6.324 1.00 0.00 C ATOM 1304 C SER B 24 1.992 6.288 -6.612 1.00 0.00 C ATOM 1305 O SER B 24 1.223 5.649 -5.897 1.00 0.00 O ATOM 1306 CB SER B 24 3.851 7.717 -5.753 1.00 0.00 C ATOM 1307 OG SER B 24 5.244 7.947 -5.918 1.00 0.00 O ATOM 0 H SER B 24 4.849 6.864 -7.849 1.00 0.00 H new ATOM 0 HA SER B 24 3.761 5.577 -5.597 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.280 8.495 -6.261 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.586 7.765 -4.697 1.00 0.00 H new ATOM 0 HG SER B 24 5.741 7.450 -5.235 1.00 0.00 H new ATOM 1313 N LEU B 25 1.620 6.941 -7.709 1.00 0.00 N ATOM 1314 CA LEU B 25 0.248 6.984 -8.187 1.00 0.00 C ATOM 1315 C LEU B 25 -0.188 5.626 -8.713 1.00 0.00 C ATOM 1316 O LEU B 25 -1.321 5.209 -8.483 1.00 0.00 O ATOM 1317 CB LEU B 25 0.116 8.028 -9.307 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.536 9.287 -8.785 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.497 10.375 -9.866 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.973 8.952 -8.403 1.00 0.00 C ATOM 0 H LEU B 25 2.273 7.460 -8.296 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.393 7.258 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.101 8.262 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.475 7.618 -10.126 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.005 9.663 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.968 11.282 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.539 10.588 -10.131 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.034 10.030 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.466 9.846 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.507 8.588 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.974 8.181 -7.632 1.00 0.00 H new ATOM 1332 N GLN B 26 0.720 4.934 -9.406 1.00 0.00 N ATOM 1333 CA GLN B 26 0.401 3.608 -9.939 1.00 0.00 C ATOM 1334 C GLN B 26 0.132 2.660 -8.789 1.00 0.00 C ATOM 1335 O GLN B 26 -0.771 1.828 -8.843 1.00 0.00 O ATOM 1336 CB GLN B 26 1.569 3.046 -10.747 1.00 0.00 C ATOM 1337 CG GLN B 26 1.525 3.520 -12.206 1.00 0.00 C ATOM 1338 CD GLN B 26 2.772 3.031 -12.935 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.645 2.302 -12.295 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 2.953 3.314 -14.118 1.00 0.00 N flip ATOM 0 H GLN B 26 1.664 5.262 -9.608 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.472 3.704 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.510 3.355 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.543 1.957 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.630 3.138 -12.697 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.471 4.608 -12.245 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.269 3.884 -14.616 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.787 2.979 -14.601 1.00 0.00 H new ATOM 1349 N VAL B 27 0.931 2.815 -7.743 1.00 0.00 N ATOM 1350 CA VAL B 27 0.799 1.996 -6.556 1.00 0.00 C ATOM 1351 C VAL B 27 -0.530 2.274 -5.914 1.00 0.00 C ATOM 1352 O VAL B 27 -1.273 1.355 -5.592 1.00 0.00 O ATOM 1353 CB VAL B 27 1.969 2.273 -5.612 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.734 1.617 -4.242 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.225 1.690 -6.259 1.00 0.00 C ATOM 0 H VAL B 27 1.680 3.506 -7.697 1.00 0.00 H new ATOM 0 HA VAL B 27 0.831 0.937 -6.812 1.00 0.00 H new ATOM 0 HB VAL B 27 2.074 3.346 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.580 1.828 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.823 2.018 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.632 0.539 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.084 1.869 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.096 0.617 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.392 2.168 -7.224 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.848 3.550 -5.800 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.120 3.956 -5.269 1.00 0.00 C ATOM 1367 C VAL B 28 -3.220 3.403 -6.181 1.00 0.00 C ATOM 1368 O VAL B 28 -4.290 3.037 -5.718 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.197 5.485 -5.184 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.572 5.881 -4.648 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.092 6.020 -4.246 1.00 0.00 C ATOM 0 H VAL B 28 -0.236 4.319 -6.071 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.250 3.564 -4.260 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.049 5.915 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.638 6.967 -4.583 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.345 5.510 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.715 5.449 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.155 7.107 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.225 5.599 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.115 5.732 -4.634 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.927 3.333 -7.486 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.877 2.812 -8.461 1.00 0.00 C ATOM 1383 C ALA B 29 -4.219 1.374 -8.114 1.00 0.00 C ATOM 1384 O ALA B 29 -5.388 0.981 -8.127 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.263 2.864 -9.870 1.00 0.00 C ATOM 0 H ALA B 29 -2.037 3.632 -7.885 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.781 3.421 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.979 2.473 -10.593 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -3.019 3.896 -10.123 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.356 2.260 -9.894 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.185 0.599 -7.790 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.355 -0.768 -7.430 1.00 0.00 C ATOM 1393 C PHE B 30 -3.983 -0.871 -6.043 1.00 0.00 C ATOM 1394 O PHE B 30 -4.947 -1.602 -5.871 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.983 -1.455 -7.512 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.486 -1.405 -8.954 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.317 -1.824 -10.013 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.206 -0.899 -9.244 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.869 -1.734 -11.327 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.233 -0.820 -10.562 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.598 -1.235 -11.604 1.00 0.00 C ATOM 0 H PHE B 30 -2.217 0.920 -7.776 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.037 -1.274 -8.114 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.273 -0.957 -6.852 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.059 -2.489 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.302 -2.215 -9.804 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.438 -0.571 -8.441 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.509 -2.052 -12.136 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.219 -0.437 -10.779 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.255 -1.169 -12.626 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.481 -0.092 -5.075 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.045 -0.109 -3.717 1.00 0.00 C ATOM 1413 C ILE B 31 -5.526 0.243 -3.776 1.00 0.00 C ATOM 1414 O ILE B 31 -6.363 -0.424 -3.170 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.311 0.906 -2.821 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.834 0.511 -2.662 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.960 0.953 -1.430 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.070 1.690 -2.054 1.00 0.00 C ATOM 0 H ILE B 31 -2.698 0.549 -5.203 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.921 -1.107 -3.296 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.379 1.886 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.745 -0.367 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.409 0.244 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.432 1.674 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.004 1.252 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.905 -0.033 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.020 1.421 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.152 2.555 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.493 1.934 -1.080 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.833 1.279 -4.537 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.204 1.715 -4.720 1.00 0.00 C ATOM 1432 C ASN B 32 -8.032 0.605 -5.366 1.00 0.00 C ATOM 1433 O ASN B 32 -9.224 0.483 -5.093 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.228 2.965 -5.600 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.620 3.584 -5.639 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.454 3.336 -4.766 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.911 4.388 -6.613 1.00 0.00 N ATOM 0 H ASN B 32 -5.144 1.837 -5.041 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.637 1.949 -3.747 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.513 3.695 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.913 2.707 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.834 4.819 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.217 4.590 -7.333 1.00 0.00 H new ATOM 1444 N SER B 33 -7.387 -0.216 -6.207 1.00 0.00 N ATOM 1445 CA SER B 33 -8.065 -1.308 -6.859 1.00 0.00 C ATOM 1446 C SER B 33 -8.209 -2.468 -5.875 1.00 0.00 C ATOM 1447 O SER B 33 -9.186 -3.212 -5.935 1.00 0.00 O ATOM 1448 CB SER B 33 -7.353 -1.683 -8.154 1.00 0.00 C ATOM 1449 OG SER B 33 -7.740 -0.776 -9.178 1.00 0.00 O ATOM 0 H SER B 33 -6.398 -0.132 -6.441 1.00 0.00 H new ATOM 0 HA SER B 33 -9.072 -1.012 -7.154 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.273 -1.651 -8.012 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.607 -2.704 -8.440 1.00 0.00 H new ATOM 0 HG SER B 33 -7.133 -0.006 -9.180 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.268 -2.572 -4.911 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.381 -3.598 -3.865 1.00 0.00 C ATOM 1457 C LEU B 34 -8.664 -3.262 -3.113 1.00 0.00 C ATOM 1458 O LEU B 34 -9.496 -4.124 -2.822 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.183 -3.549 -2.883 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.845 -3.755 -3.613 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.679 -3.763 -2.635 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.864 -5.080 -4.319 1.00 0.00 C ATOM 0 H LEU B 34 -6.445 -1.973 -4.839 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.390 -4.597 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.173 -2.589 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.305 -4.319 -2.121 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.718 -2.934 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.747 -3.910 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.642 -2.811 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.811 -4.573 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.917 -5.230 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.009 -5.878 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.680 -5.096 -5.042 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.811 -1.958 -2.873 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.004 -1.386 -2.224 1.00 0.00 C ATOM 1476 C ARG B 35 -11.244 -1.692 -3.060 1.00 0.00 C ATOM 1477 O ARG B 35 -12.268 -2.140 -2.542 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.848 0.149 -2.141 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.722 0.638 -0.687 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.394 1.382 -0.495 1.00 0.00 C ATOM 1481 NE ARG B 35 -7.859 1.126 0.838 1.00 0.00 N ATOM 1482 CZ ARG B 35 -8.084 1.944 1.855 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.202 2.607 1.939 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -7.179 2.074 2.774 1.00 0.00 N ATOM 0 H ARG B 35 -8.107 -1.263 -3.122 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.109 -1.817 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.966 0.455 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.708 0.627 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.556 1.297 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -9.775 -0.210 -0.004 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.677 1.061 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.545 2.452 -0.634 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.294 0.291 0.991 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -9.915 2.499 1.217 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.365 3.234 2.727 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -6.307 1.550 2.708 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -7.339 2.701 3.563 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.122 -1.429 -4.359 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.207 -1.649 -5.308 1.00 0.00 C ATOM 1500 C ASP B 36 -12.598 -3.121 -5.371 1.00 0.00 C ATOM 1501 O ASP B 36 -13.778 -3.454 -5.507 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.759 -1.181 -6.701 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.507 0.337 -6.734 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.043 1.044 -5.891 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.773 0.771 -7.607 1.00 0.00 O ATOM 0 H ASP B 36 -10.270 -1.059 -4.781 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.076 -1.080 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.849 -1.708 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.522 -1.440 -7.435 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.595 -3.995 -5.290 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.828 -5.436 -5.360 1.00 0.00 C ATOM 1512 C ASP B 37 -10.815 -6.189 -4.505 1.00 0.00 C ATOM 1513 O ASP B 37 -9.686 -6.444 -4.936 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.756 -5.931 -6.822 1.00 0.00 C ATOM 1515 CG ASP B 37 -11.904 -4.772 -7.811 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -10.894 -4.172 -8.145 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.021 -4.504 -8.218 1.00 0.00 O ATOM 0 H ASP B 37 -10.616 -3.731 -5.176 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.828 -5.633 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -10.805 -6.436 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.542 -6.665 -6.999 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.202 -6.558 -3.307 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.315 -7.311 -2.388 1.00 0.00 C ATOM 1524 C PRO B 38 -10.062 -8.733 -2.879 1.00 0.00 C ATOM 1525 O PRO B 38 -8.971 -9.276 -2.701 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.046 -7.319 -1.050 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.318 -6.549 -1.218 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.522 -6.302 -2.707 1.00 0.00 C ATOM 0 HA PRO B 38 -9.331 -6.847 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.257 -8.341 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.427 -6.869 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.159 -7.106 -0.805 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.266 -5.604 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.281 -6.967 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.854 -5.282 -2.898 1.00 0.00 H new ATOM 1536 N SER B 39 -11.078 -9.321 -3.515 1.00 0.00 N ATOM 1537 CA SER B 39 -10.959 -10.669 -4.053 1.00 0.00 C ATOM 1538 C SER B 39 -9.937 -10.664 -5.174 1.00 0.00 C ATOM 1539 O SER B 39 -9.138 -11.593 -5.307 1.00 0.00 O ATOM 1540 CB SER B 39 -12.311 -11.151 -4.586 1.00 0.00 C ATOM 1541 OG SER B 39 -13.278 -11.080 -3.547 1.00 0.00 O ATOM 0 H SER B 39 -11.987 -8.883 -3.667 1.00 0.00 H new ATOM 0 HA SER B 39 -10.638 -11.346 -3.262 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.622 -10.536 -5.431 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.227 -12.175 -4.951 1.00 0.00 H new ATOM 0 HG SER B 39 -13.380 -10.149 -3.258 1.00 0.00 H new ATOM 1547 N GLN B 40 -9.967 -9.589 -5.968 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.041 -9.436 -7.073 1.00 0.00 C ATOM 1549 C GLN B 40 -7.848 -8.597 -6.658 1.00 0.00 C ATOM 1550 O GLN B 40 -7.164 -8.038 -7.510 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.716 -8.823 -8.312 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.247 -8.945 -8.232 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.889 -8.236 -9.421 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.460 -7.055 -9.768 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.800 -8.772 -10.050 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.625 -8.818 -5.859 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.698 -10.434 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.437 -7.773 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.356 -9.324 -9.210 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.537 -9.996 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.607 -8.509 -7.300 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.134 -9.696 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.222 -8.292 -10.845 1.00 0.00 H new ATOM 1564 N SER B 41 -7.570 -8.526 -5.349 1.00 0.00 N ATOM 1565 CA SER B 41 -6.417 -7.770 -4.887 1.00 0.00 C ATOM 1566 C SER B 41 -5.175 -8.269 -5.613 1.00 0.00 C ATOM 1567 O SER B 41 -4.250 -7.515 -5.894 1.00 0.00 O ATOM 1568 CB SER B 41 -6.242 -7.970 -3.382 1.00 0.00 C ATOM 1569 OG SER B 41 -7.181 -7.165 -2.688 1.00 0.00 O ATOM 0 H SER B 41 -8.117 -8.974 -4.614 1.00 0.00 H new ATOM 0 HA SER B 41 -6.566 -6.710 -5.093 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.385 -9.019 -3.124 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.228 -7.704 -3.084 1.00 0.00 H new ATOM 0 HG SER B 41 -7.032 -6.222 -2.911 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.201 -9.553 -5.925 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.126 -10.209 -6.644 1.00 0.00 C ATOM 1577 C ALA B 42 -4.120 -9.803 -8.120 1.00 0.00 C ATOM 1578 O ALA B 42 -3.091 -9.889 -8.780 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.335 -11.717 -6.548 1.00 0.00 C ATOM 0 H ALA B 42 -5.975 -10.173 -5.684 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.174 -9.914 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.536 -12.230 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.323 -12.020 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.295 -11.980 -6.991 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.297 -9.412 -8.625 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.476 -9.043 -10.026 1.00 0.00 C ATOM 1587 C ASN B 43 -4.821 -7.726 -10.386 1.00 0.00 C ATOM 1588 O ASN B 43 -4.022 -7.659 -11.314 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.953 -8.921 -10.295 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.224 -8.809 -11.793 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.520 -7.724 -12.291 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.137 -9.872 -12.544 1.00 0.00 N ATOM 0 H ASN B 43 -6.150 -9.344 -8.069 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.004 -9.818 -10.629 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.474 -9.789 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.349 -8.044 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.315 -9.804 -13.546 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.891 -10.771 -12.129 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.158 -6.678 -9.641 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.582 -5.386 -9.893 1.00 0.00 C ATOM 1601 C LEU B 44 -3.143 -5.434 -9.419 1.00 0.00 C ATOM 1602 O LEU B 44 -2.264 -4.772 -9.951 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.439 -4.229 -9.302 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.502 -4.198 -7.777 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.347 -5.342 -7.273 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.117 -4.194 -7.166 1.00 0.00 C ATOM 0 H LEU B 44 -5.822 -6.709 -8.867 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.579 -5.156 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.036 -3.280 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.453 -4.310 -9.693 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.977 -3.268 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.387 -5.313 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.356 -5.254 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.909 -6.287 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.199 -4.172 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.582 -5.093 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.571 -3.314 -7.507 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.897 -6.295 -8.439 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.559 -6.503 -7.970 1.00 0.00 C ATOM 1620 C LEU B 45 -0.818 -7.150 -9.112 1.00 0.00 C ATOM 1621 O LEU B 45 0.325 -6.832 -9.399 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.565 -7.421 -6.763 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.138 -7.829 -6.412 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.109 -8.254 -4.965 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.321 -8.986 -7.302 1.00 0.00 C ATOM 0 H LEU B 45 -3.610 -6.850 -7.965 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.090 -5.567 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.027 -6.917 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.164 -8.307 -6.972 1.00 0.00 H new ATOM 0 HG LEU B 45 0.536 -6.987 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.904 -8.550 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.425 -7.423 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -0.785 -9.097 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.341 -9.265 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.338 -9.841 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU B 45 0.288 -8.677 -8.347 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.535 -8.044 -9.784 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.999 -8.734 -10.943 1.00 0.00 C ATOM 1639 C ALA B 46 -0.633 -7.665 -11.952 1.00 0.00 C ATOM 1640 O ALA B 46 0.446 -7.679 -12.538 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.054 -9.688 -11.532 1.00 0.00 C ATOM 0 H ALA B 46 -2.491 -8.306 -9.542 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.130 -9.334 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.638 -10.199 -12.401 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.339 -10.424 -10.780 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.933 -9.118 -11.833 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.538 -6.693 -12.072 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.331 -5.550 -12.931 1.00 0.00 C ATOM 1649 C GLU B 47 -0.109 -4.781 -12.445 1.00 0.00 C ATOM 1650 O GLU B 47 0.601 -4.165 -13.235 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.547 -4.602 -12.902 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.806 -5.263 -13.455 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.553 -5.909 -14.819 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.080 -5.219 -15.709 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.833 -7.089 -14.951 1.00 0.00 O ATOM 0 H GLU B 47 -2.428 -6.685 -11.574 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.189 -5.909 -13.950 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.729 -4.278 -11.877 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.323 -3.708 -13.484 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.158 -6.019 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.598 -4.519 -13.546 1.00 0.00 H new ATOM 1662 N ALA B 48 0.103 -4.806 -11.123 1.00 0.00 N ATOM 1663 CA ALA B 48 1.203 -4.094 -10.507 1.00 0.00 C ATOM 1664 C ALA B 48 2.527 -4.759 -10.779 1.00 0.00 C ATOM 1665 O ALA B 48 3.473 -4.116 -11.199 1.00 0.00 O ATOM 1666 CB ALA B 48 0.978 -4.119 -9.010 1.00 0.00 C ATOM 0 H ALA B 48 -0.484 -5.319 -10.465 1.00 0.00 H new ATOM 0 HA ALA B 48 1.234 -3.083 -10.914 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.790 -3.590 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.031 -3.633 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.951 -5.152 -8.663 1.00 0.00 H new ATOM 1672 N LYS B 49 2.571 -6.057 -10.555 1.00 0.00 N ATOM 1673 CA LYS B 49 3.775 -6.818 -10.794 1.00 0.00 C ATOM 1674 C LYS B 49 4.115 -6.716 -12.273 1.00 0.00 C ATOM 1675 O LYS B 49 5.281 -6.625 -12.653 1.00 0.00 O ATOM 1676 CB LYS B 49 3.555 -8.258 -10.335 1.00 0.00 C ATOM 1677 CG LYS B 49 3.580 -8.338 -8.807 1.00 0.00 C ATOM 1678 CD LYS B 49 3.705 -9.807 -8.369 1.00 0.00 C ATOM 1679 CE LYS B 49 2.550 -10.655 -8.930 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.038 -11.566 -7.866 1.00 0.00 N ATOM 0 H LYS B 49 1.784 -6.605 -10.207 1.00 0.00 H new ATOM 0 HA LYS B 49 4.620 -6.427 -10.227 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.599 -8.624 -10.710 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.329 -8.902 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.417 -7.759 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.670 -7.901 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.657 -10.212 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.708 -9.866 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.749 -10.007 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.894 -11.236 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.007 -11.666 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.487 -12.499 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.262 -11.169 -6.931 1.00 0.00 H new ATOM 1694 N LYS B 50 3.060 -6.657 -13.087 1.00 0.00 N ATOM 1695 CA LYS B 50 3.202 -6.482 -14.525 1.00 0.00 C ATOM 1696 C LYS B 50 3.669 -5.073 -14.841 1.00 0.00 C ATOM 1697 O LYS B 50 4.495 -4.877 -15.724 1.00 0.00 O ATOM 1698 CB LYS B 50 1.876 -6.729 -15.231 1.00 0.00 C ATOM 1699 CG LYS B 50 1.604 -8.239 -15.333 1.00 0.00 C ATOM 1700 CD LYS B 50 0.450 -8.503 -16.312 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.865 -7.950 -15.748 1.00 0.00 C ATOM 1702 NZ LYS B 50 -2.003 -8.454 -16.566 1.00 0.00 N ATOM 0 H LYS B 50 2.094 -6.729 -12.768 1.00 0.00 H new ATOM 0 HA LYS B 50 3.940 -7.203 -14.878 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.068 -6.242 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.898 -6.288 -16.227 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.502 -8.756 -15.670 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.356 -8.639 -14.350 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.666 -8.036 -17.273 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.355 -9.574 -16.492 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.986 -8.256 -14.709 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.849 -6.860 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.897 -8.094 -16.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.897 -8.126 -17.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.010 -9.494 -16.547 1.00 0.00 H new ATOM 1716 N LEU B 51 3.128 -4.090 -14.119 1.00 0.00 N ATOM 1717 CA LEU B 51 3.512 -2.699 -14.345 1.00 0.00 C ATOM 1718 C LEU B 51 4.938 -2.495 -13.921 1.00 0.00 C ATOM 1719 O LEU B 51 5.725 -1.847 -14.609 1.00 0.00 O ATOM 1720 CB LEU B 51 2.599 -1.747 -13.567 1.00 0.00 C ATOM 1721 CG LEU B 51 1.680 -1.013 -14.541 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.527 -0.108 -15.454 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.882 -2.035 -15.375 1.00 0.00 C ATOM 0 H LEU B 51 2.434 -4.229 -13.385 1.00 0.00 H new ATOM 0 HA LEU B 51 3.410 -2.480 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.007 -2.305 -12.842 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.198 -1.030 -13.005 1.00 0.00 H new ATOM 0 HG LEU B 51 0.973 -0.394 -13.988 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.875 0.418 -16.151 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.069 0.617 -14.846 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.238 -0.717 -16.012 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.228 -1.507 -16.069 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.572 -2.665 -15.936 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.281 -2.656 -14.711 1.00 0.00 H new ATOM 1735 N ASN B 52 5.266 -3.101 -12.802 1.00 0.00 N ATOM 1736 CA ASN B 52 6.618 -3.044 -12.294 1.00 0.00 C ATOM 1737 C ASN B 52 7.503 -3.686 -13.327 1.00 0.00 C ATOM 1738 O ASN B 52 8.592 -3.203 -13.624 1.00 0.00 O ATOM 1739 CB ASN B 52 6.716 -3.787 -10.969 1.00 0.00 C ATOM 1740 CG ASN B 52 8.166 -3.858 -10.504 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.615 -3.036 -9.708 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.930 -4.796 -10.972 1.00 0.00 N ATOM 0 H ASN B 52 4.616 -3.638 -12.227 1.00 0.00 H new ATOM 0 HA ASN B 52 6.923 -2.013 -12.113 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.111 -3.282 -10.216 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.313 -4.794 -11.079 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.906 -4.853 -10.680 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.555 -5.477 -11.632 1.00 0.00 H new ATOM 1749 N ASP B 53 6.978 -4.763 -13.901 1.00 0.00 N ATOM 1750 CA ASP B 53 7.688 -5.470 -14.958 1.00 0.00 C ATOM 1751 C ASP B 53 7.771 -4.578 -16.196 1.00 0.00 C ATOM 1752 O ASP B 53 8.764 -4.586 -16.926 1.00 0.00 O ATOM 1753 CB ASP B 53 6.973 -6.775 -15.319 1.00 0.00 C ATOM 1754 CG ASP B 53 7.848 -7.600 -16.263 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.694 -8.329 -15.772 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.666 -7.482 -17.465 1.00 0.00 O ATOM 0 H ASP B 53 6.072 -5.162 -13.655 1.00 0.00 H new ATOM 0 HA ASP B 53 8.689 -5.711 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.759 -7.345 -14.415 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.016 -6.557 -15.793 1.00 0.00 H new ATOM 1761 N ALA B 54 6.699 -3.812 -16.411 1.00 0.00 N ATOM 1762 CA ALA B 54 6.603 -2.903 -17.545 1.00 0.00 C ATOM 1763 C ALA B 54 7.647 -1.798 -17.434 1.00 0.00 C ATOM 1764 O ALA B 54 8.244 -1.391 -18.432 1.00 0.00 O ATOM 1765 CB ALA B 54 5.200 -2.294 -17.580 1.00 0.00 C ATOM 0 H ALA B 54 5.879 -3.807 -15.804 1.00 0.00 H new ATOM 0 HA ALA B 54 6.788 -3.457 -18.465 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.120 -1.612 -18.427 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.461 -3.089 -17.683 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.018 -1.747 -16.655 1.00 0.00 H new ATOM 1771 N GLN B 55 7.859 -1.327 -16.206 1.00 0.00 N ATOM 1772 CA GLN B 55 8.830 -0.273 -15.940 1.00 0.00 C ATOM 1773 C GLN B 55 10.196 -0.856 -15.586 1.00 0.00 C ATOM 1774 O GLN B 55 11.183 -0.124 -15.486 1.00 0.00 O ATOM 1775 CB GLN B 55 8.318 0.575 -14.795 1.00 0.00 C ATOM 1776 CG GLN B 55 7.049 1.310 -15.223 1.00 0.00 C ATOM 1777 CD GLN B 55 6.183 1.572 -14.004 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.717 0.558 -13.331 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 5.931 2.723 -13.650 1.00 0.00 N flip ATOM 0 H GLN B 55 7.367 -1.662 -15.378 1.00 0.00 H new ATOM 0 HA GLN B 55 8.952 0.334 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.111 -0.054 -13.929 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.081 1.293 -14.493 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.307 2.251 -15.709 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.499 0.715 -15.952 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.299 3.512 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.354 2.888 -12.825 1.00 0.00 H new ATOM 1788 N ALA B 56 10.243 -2.176 -15.398 1.00 0.00 N ATOM 1789 CA ALA B 56 11.494 -2.853 -15.053 1.00 0.00 C ATOM 1790 C ALA B 56 12.464 -2.816 -16.220 1.00 0.00 C ATOM 1791 O ALA B 56 12.076 -2.524 -17.354 1.00 0.00 O ATOM 1792 CB ALA B 56 11.237 -4.314 -14.675 1.00 0.00 C ATOM 0 H ALA B 56 9.435 -2.794 -15.478 1.00 0.00 H new ATOM 0 HA ALA B 56 11.925 -2.327 -14.201 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.181 -4.796 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.568 -4.355 -13.816 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.779 -4.832 -15.517 1.00 0.00 H new ATOM 1798 N PRO B 57 13.716 -3.110 -15.965 1.00 0.00 N ATOM 1799 CA PRO B 57 14.764 -3.114 -16.998 1.00 0.00 C ATOM 1800 C PRO B 57 14.759 -4.423 -17.777 1.00 0.00 C ATOM 1801 O PRO B 57 14.130 -5.403 -17.368 1.00 0.00 O ATOM 1802 CB PRO B 57 16.068 -2.934 -16.201 1.00 0.00 C ATOM 1803 CG PRO B 57 15.674 -2.861 -14.760 1.00 0.00 C ATOM 1804 CD PRO B 57 14.295 -3.481 -14.676 1.00 0.00 C ATOM 0 HA PRO B 57 14.625 -2.333 -17.746 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.749 -3.767 -16.376 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.589 -2.027 -16.508 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.384 -3.400 -14.133 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.660 -1.829 -14.410 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.341 -4.562 -14.545 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.719 -3.083 -13.840 1.00 0.00 H new ATOM 1812 N LYS B 58 15.452 -4.416 -18.900 1.00 0.00 N ATOM 1813 CA LYS B 58 15.536 -5.582 -19.767 1.00 0.00 C ATOM 1814 C LYS B 58 16.967 -5.778 -20.273 1.00 0.00 C ATOM 1815 O LYS B 58 17.587 -4.792 -20.642 1.00 0.00 O ATOM 1816 CB LYS B 58 14.588 -5.397 -20.947 1.00 0.00 C ATOM 1817 CG LYS B 58 13.165 -5.856 -20.573 1.00 0.00 C ATOM 1818 CD LYS B 58 12.310 -4.641 -20.168 1.00 0.00 C ATOM 1819 CE LYS B 58 11.045 -5.109 -19.435 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.347 -5.300 -17.988 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.421 -6.910 -20.287 1.00 0.00 O ATOM 0 H LYS B 58 15.972 -3.606 -19.238 1.00 0.00 H new ATOM 0 HA LYS B 58 15.251 -6.468 -19.200 1.00 0.00 H new ATOM 0 HB2 LYS B 58 14.571 -4.349 -21.247 1.00 0.00 H new ATOM 0 HB3 LYS B 58 14.948 -5.968 -21.803 1.00 0.00 H new ATOM 0 HG2 LYS B 58 12.706 -6.369 -21.418 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.209 -6.571 -19.751 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.888 -3.977 -19.525 1.00 0.00 H new ATOM 0 HD3 LYS B 58 12.036 -4.068 -21.054 1.00 0.00 H new ATOM 0 HE2 LYS B 58 10.249 -4.374 -19.557 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.686 -6.043 -19.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.085 -6.265 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 12.363 -5.154 -17.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.803 -4.614 -17.426 1.00 0.00 H new TER 1835 LYS B 58