USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= 0 X(o=0.55,f=0.54) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -151:sc= 0.549 (180deg=0.233) USER MOD Set 2.1: B 23 ASN : amide:sc= -3.22 K(o=-8.3,f=-22!) USER MOD Set 2.2: B 26 GLN : amide:sc= -3.42! C(o=-8.3!,f=-9.8!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.71 X(o=-8.3,f=-8.2) USER MOD Set 3.1: B 7 LYS NZ :NH3+ -155:sc= 0.123 (180deg=0.0253) USER MOD Set 3.2: B 10 SER OG : rot -120:sc= -0.99 USER MOD Set 4.1: A 40 GLN : amide:sc= 0.0302 X(o=0.058,f=0) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.028 X(o=0.058,f=0) USER MOD Set 5.1: A 23 ASN : amide:sc= -0.752 K(o=-2,f=-10!) USER MOD Set 5.2: A 26 GLN : amide:sc= -0.353 K(o=-2,f=-6.6!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.854 K(o=-2,f=-11!) USER MOD Set 6.1: A 14 TYR OH : rot -76:sc= 0.346 USER MOD Set 6.2: A 18 HIS :FLIP no HE2:sc= -22.1! C(o=-24!,f=-22!) USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.0755 (180deg=-0.583) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.134) USER MOD Single : A 6 ASN : amide:sc= -0.888 K(o=-0.89,f=-4.6!) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc=-0.00488 (180deg=-0.064) USER MOD Single : A 9 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.3) USER MOD Single : A 10 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.1!) USER MOD Single : A 21 ASN : amide:sc= -0.354 K(o=-0.35,f=-1) USER MOD Single : A 28 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5!) USER MOD Single : A 32 GLN : amide:sc= -0.452 K(o=-0.45,f=-1.8) USER MOD Single : A 33 SER OG : rot 25:sc= -0.0379 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.718 (180deg=0.636) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -96:sc= 0.732 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00592) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.427 K(o=-0.43,f=-10!) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.371 (180deg=0.0555) USER MOD Single : B 1 VAL N :NH3+ 134:sc= -0.0684 (180deg=-0.476) USER MOD Single : B 3 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.0069) USER MOD Single : B 4 LYS NZ :NH3+ 151:sc= 0.508 (180deg=0.108) USER MOD Single : B 6 ASN : amide:sc= -2.2 K(o=-2.2,f=-5.9!) USER MOD Single : B 18 THR OG1 : rot -48:sc= 0.477 USER MOD Single : B 21 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.3!) USER MOD Single : B 27 LYS NZ :NH3+ -163:sc= 0.141 (180deg=0.0414) USER MOD Single : B 33 SER OG : rot -47:sc= -0.234 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.21) USER MOD Single : B 41 SER OG : rot -98:sc= -3.06 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -145:sc= -0.0489 (180deg=-0.635) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -5.96! C(o=-6!,f=-16!) USER MOD Single : B 58 LYS NZ :NH3+ 160:sc= 0.236 (180deg=0.00324) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.254 -23.143 7.080 1.00 0.00 N ATOM 2 CA VAL A 1 3.854 -22.601 7.127 1.00 0.00 C ATOM 3 C VAL A 1 3.684 -21.710 8.373 1.00 0.00 C ATOM 4 O VAL A 1 3.816 -22.171 9.496 1.00 0.00 O ATOM 5 CB VAL A 1 2.917 -23.833 7.191 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.466 -23.384 7.407 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.999 -24.623 5.877 1.00 0.00 C ATOM 0 H1 VAL A 1 5.488 -23.416 6.104 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.920 -22.413 7.404 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.325 -23.976 7.699 1.00 0.00 H new ATOM 0 HA VAL A 1 3.623 -21.986 6.257 1.00 0.00 H new ATOM 0 HB VAL A 1 3.233 -24.463 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.817 -24.259 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.392 -22.831 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.157 -22.743 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.337 -25.488 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.695 -23.984 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.023 -24.960 5.718 1.00 0.00 H new ATOM 19 N ASP A 2 3.400 -20.439 8.173 1.00 0.00 N ATOM 20 CA ASP A 2 3.223 -19.493 9.330 1.00 0.00 C ATOM 21 C ASP A 2 2.297 -18.322 8.951 1.00 0.00 C ATOM 22 O ASP A 2 2.079 -18.045 7.782 1.00 0.00 O ATOM 23 CB ASP A 2 4.641 -18.981 9.667 1.00 0.00 C ATOM 24 CG ASP A 2 5.251 -18.223 8.473 1.00 0.00 C ATOM 25 OD1 ASP A 2 4.984 -17.040 8.347 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.973 -18.843 7.708 1.00 0.00 O ATOM 0 H ASP A 2 3.283 -20.014 7.253 1.00 0.00 H new ATOM 0 HA ASP A 2 2.758 -19.989 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.598 -18.324 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.281 -19.822 9.934 1.00 0.00 H new ATOM 31 N ASN A 3 1.775 -17.622 9.938 1.00 0.00 N ATOM 32 CA ASN A 3 0.878 -16.446 9.657 1.00 0.00 C ATOM 33 C ASN A 3 1.668 -15.116 9.599 1.00 0.00 C ATOM 34 O ASN A 3 1.083 -14.069 9.374 1.00 0.00 O ATOM 35 CB ASN A 3 -0.137 -16.418 10.812 1.00 0.00 C ATOM 36 CG ASN A 3 -1.051 -17.650 10.739 1.00 0.00 C ATOM 37 OD1 ASN A 3 -1.043 -18.478 11.628 1.00 0.00 O ATOM 38 ND2 ASN A 3 -1.847 -17.808 9.713 1.00 0.00 N ATOM 0 H ASN A 3 1.932 -17.815 10.927 1.00 0.00 H new ATOM 0 HA ASN A 3 0.396 -16.550 8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.387 -16.400 11.767 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.735 -15.508 10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.457 -18.624 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.857 -17.116 8.964 1.00 0.00 H new ATOM 45 N LYS A 4 2.986 -15.141 9.788 1.00 0.00 N ATOM 46 CA LYS A 4 3.793 -13.873 9.731 1.00 0.00 C ATOM 47 C LYS A 4 3.773 -13.280 8.312 1.00 0.00 C ATOM 48 O LYS A 4 3.303 -12.178 8.116 1.00 0.00 O ATOM 49 CB LYS A 4 5.228 -14.269 10.158 1.00 0.00 C ATOM 50 CG LYS A 4 6.229 -13.156 9.804 1.00 0.00 C ATOM 51 CD LYS A 4 7.613 -13.497 10.362 1.00 0.00 C ATOM 52 CE LYS A 4 8.626 -12.425 9.924 1.00 0.00 C ATOM 53 NZ LYS A 4 8.371 -11.232 10.794 1.00 0.00 N ATOM 0 H LYS A 4 3.526 -15.985 9.978 1.00 0.00 H new ATOM 0 HA LYS A 4 3.386 -13.104 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.254 -14.460 11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.517 -15.196 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.284 -13.036 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.887 -12.205 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.574 -13.552 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.929 -14.477 10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.649 -12.783 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.497 -12.174 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.150 -10.551 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.477 -10.782 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.309 -11.534 11.787 1.00 0.00 H new ATOM 67 N PHE A 5 4.285 -14.004 7.333 1.00 0.00 N ATOM 68 CA PHE A 5 4.325 -13.480 5.920 1.00 0.00 C ATOM 69 C PHE A 5 2.931 -13.122 5.385 1.00 0.00 C ATOM 70 O PHE A 5 2.821 -12.264 4.527 1.00 0.00 O ATOM 71 CB PHE A 5 4.992 -14.576 5.073 1.00 0.00 C ATOM 72 CG PHE A 5 6.445 -14.679 5.488 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.312 -13.599 5.270 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.911 -15.829 6.131 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.642 -13.676 5.688 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.239 -15.902 6.557 1.00 0.00 C ATOM 77 CZ PHE A 5 9.104 -14.825 6.335 1.00 0.00 C ATOM 0 H PHE A 5 4.678 -14.938 7.453 1.00 0.00 H new ATOM 0 HA PHE A 5 4.889 -12.548 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.486 -15.530 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.916 -14.335 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.951 -12.707 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.244 -16.662 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.313 -12.848 5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.598 -16.789 7.057 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.131 -14.882 6.664 1.00 0.00 H new ATOM 87 N ASN A 6 1.869 -13.742 5.887 1.00 0.00 N ATOM 88 CA ASN A 6 0.489 -13.393 5.397 1.00 0.00 C ATOM 89 C ASN A 6 0.229 -11.885 5.580 1.00 0.00 C ATOM 90 O ASN A 6 -0.085 -11.206 4.623 1.00 0.00 O ATOM 91 CB ASN A 6 -0.491 -14.221 6.247 1.00 0.00 C ATOM 92 CG ASN A 6 -0.480 -15.682 5.777 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.027 -16.544 6.461 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.025 -15.999 4.632 1.00 0.00 N ATOM 0 H ASN A 6 1.904 -14.465 6.606 1.00 0.00 H new ATOM 0 HA ASN A 6 0.371 -13.615 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.211 -14.166 7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.497 -13.810 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.022 -16.969 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.453 -15.276 4.053 1.00 0.00 H new ATOM 101 N LYS A 7 0.402 -11.352 6.784 1.00 0.00 N ATOM 102 CA LYS A 7 0.197 -9.875 6.984 1.00 0.00 C ATOM 103 C LYS A 7 1.516 -9.087 6.859 1.00 0.00 C ATOM 104 O LYS A 7 1.471 -7.882 6.771 1.00 0.00 O ATOM 105 CB LYS A 7 -0.416 -9.683 8.378 1.00 0.00 C ATOM 106 CG LYS A 7 -0.727 -8.195 8.622 1.00 0.00 C ATOM 107 CD LYS A 7 0.324 -7.530 9.526 1.00 0.00 C ATOM 108 CE LYS A 7 0.472 -8.286 10.858 1.00 0.00 C ATOM 109 NZ LYS A 7 1.882 -8.793 10.875 1.00 0.00 N ATOM 0 H LYS A 7 0.672 -11.872 7.619 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.465 -9.489 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.329 -10.272 8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.273 -10.048 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.768 -7.671 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.712 -8.100 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.285 -7.503 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.038 -6.497 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.281 -7.628 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.241 -9.107 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.994 -9.482 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.097 -9.252 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.535 -7.997 11.024 1.00 0.00 H new ATOM 123 N GLU A 8 2.686 -9.719 6.811 1.00 0.00 N ATOM 124 CA GLU A 8 3.941 -8.904 6.643 1.00 0.00 C ATOM 125 C GLU A 8 3.898 -8.261 5.270 1.00 0.00 C ATOM 126 O GLU A 8 4.219 -7.109 5.126 1.00 0.00 O ATOM 127 CB GLU A 8 5.142 -9.839 6.761 1.00 0.00 C ATOM 128 CG GLU A 8 5.437 -10.136 8.234 1.00 0.00 C ATOM 129 CD GLU A 8 5.832 -8.849 8.975 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.853 -8.273 8.630 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.113 -8.473 9.886 1.00 0.00 O ATOM 0 H GLU A 8 2.817 -10.728 6.879 1.00 0.00 H new ATOM 0 HA GLU A 8 4.021 -8.128 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.942 -10.768 6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.014 -9.384 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.559 -10.578 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.242 -10.867 8.309 1.00 0.00 H new ATOM 138 N GLN A 9 3.420 -8.990 4.278 1.00 0.00 N ATOM 139 CA GLN A 9 3.253 -8.402 2.921 1.00 0.00 C ATOM 140 C GLN A 9 2.212 -7.269 3.029 1.00 0.00 C ATOM 141 O GLN A 9 2.348 -6.241 2.419 1.00 0.00 O ATOM 142 CB GLN A 9 2.708 -9.518 2.026 1.00 0.00 C ATOM 143 CG GLN A 9 3.718 -10.650 1.854 1.00 0.00 C ATOM 144 CD GLN A 9 3.072 -11.749 1.008 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.088 -11.685 -0.206 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.486 -12.757 1.598 1.00 0.00 N ATOM 0 H GLN A 9 3.141 -9.968 4.361 1.00 0.00 H new ATOM 0 HA GLN A 9 4.185 -8.007 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.788 -9.914 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.451 -9.108 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.622 -10.281 1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.015 -11.044 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.471 -12.813 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.044 -13.487 1.040 1.00 0.00 H new ATOM 155 N GLN A 10 1.190 -7.473 3.848 1.00 0.00 N ATOM 156 CA GLN A 10 0.123 -6.436 4.082 1.00 0.00 C ATOM 157 C GLN A 10 0.716 -5.209 4.789 1.00 0.00 C ATOM 158 O GLN A 10 0.511 -4.085 4.365 1.00 0.00 O ATOM 159 CB GLN A 10 -0.887 -7.129 5.008 1.00 0.00 C ATOM 160 CG GLN A 10 -2.289 -7.102 4.398 1.00 0.00 C ATOM 161 CD GLN A 10 -2.575 -8.400 3.620 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.889 -9.390 3.777 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.575 -8.451 2.787 1.00 0.00 N ATOM 0 H GLN A 10 1.053 -8.336 4.373 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.325 -6.087 3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.580 -8.161 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.898 -6.633 5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.031 -6.975 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.383 -6.245 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.161 -7.629 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.772 -9.313 2.279 1.00 0.00 H new ATOM 172 N ASN A 11 1.457 -5.428 5.861 1.00 0.00 N ATOM 173 CA ASN A 11 2.086 -4.302 6.618 1.00 0.00 C ATOM 174 C ASN A 11 3.189 -3.663 5.775 1.00 0.00 C ATOM 175 O ASN A 11 3.265 -2.460 5.677 1.00 0.00 O ATOM 176 CB ASN A 11 2.683 -4.927 7.886 1.00 0.00 C ATOM 177 CG ASN A 11 3.040 -3.820 8.883 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.176 -3.288 9.550 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.285 -3.436 9.006 1.00 0.00 N ATOM 0 H ASN A 11 1.650 -6.354 6.242 1.00 0.00 H new ATOM 0 HA ASN A 11 1.362 -3.524 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.969 -5.618 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.572 -5.505 7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.527 -2.692 9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.013 -3.881 8.447 1.00 0.00 H new ATOM 186 N ALA A 12 4.024 -4.472 5.149 1.00 0.00 N ATOM 187 CA ALA A 12 5.113 -3.927 4.277 1.00 0.00 C ATOM 188 C ALA A 12 4.483 -3.172 3.111 1.00 0.00 C ATOM 189 O ALA A 12 4.912 -2.090 2.781 1.00 0.00 O ATOM 190 CB ALA A 12 5.894 -5.133 3.762 1.00 0.00 C ATOM 0 H ALA A 12 3.993 -5.490 5.209 1.00 0.00 H new ATOM 0 HA ALA A 12 5.766 -3.242 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.705 -4.793 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.308 -5.685 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.228 -5.783 3.195 1.00 0.00 H new ATOM 196 N PHE A 13 3.430 -3.725 2.525 1.00 0.00 N ATOM 197 CA PHE A 13 2.713 -3.029 1.411 1.00 0.00 C ATOM 198 C PHE A 13 2.223 -1.684 1.936 1.00 0.00 C ATOM 199 O PHE A 13 2.576 -0.646 1.413 1.00 0.00 O ATOM 200 CB PHE A 13 1.516 -3.942 1.054 1.00 0.00 C ATOM 201 CG PHE A 13 0.545 -3.230 0.150 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.999 -2.602 -1.005 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.818 -3.245 0.446 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.094 -1.991 -1.859 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.725 -2.624 -0.405 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.269 -2.001 -1.558 1.00 0.00 C ATOM 0 H PHE A 13 3.042 -4.634 2.779 1.00 0.00 H new ATOM 0 HA PHE A 13 3.340 -2.853 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.877 -4.847 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.007 -4.254 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.054 -2.590 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.170 -3.740 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.444 -1.507 -2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.779 -2.626 -0.170 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.971 -1.522 -2.225 1.00 0.00 H new ATOM 216 N TYR A 14 1.441 -1.722 2.995 1.00 0.00 N ATOM 217 CA TYR A 14 0.911 -0.477 3.617 1.00 0.00 C ATOM 218 C TYR A 14 2.047 0.501 3.940 1.00 0.00 C ATOM 219 O TYR A 14 2.009 1.636 3.537 1.00 0.00 O ATOM 220 CB TYR A 14 0.265 -0.944 4.904 1.00 0.00 C ATOM 221 CG TYR A 14 -0.415 0.220 5.565 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.679 0.613 5.138 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.201 0.879 6.630 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.327 1.638 5.759 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.452 1.940 7.258 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.725 2.323 6.824 1.00 0.00 C ATOM 227 OH TYR A 14 -2.397 3.358 7.453 1.00 0.00 O ATOM 0 H TYR A 14 1.147 -2.583 3.457 1.00 0.00 H new ATOM 0 HA TYR A 14 0.221 0.045 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.458 -1.733 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.017 -1.367 5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.149 0.103 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.179 0.569 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.314 1.926 5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.023 2.463 8.075 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.372 4.157 6.886 1.00 0.00 H new ATOM 237 N GLU A 15 3.061 0.054 4.658 1.00 0.00 N ATOM 238 CA GLU A 15 4.200 0.960 5.011 1.00 0.00 C ATOM 239 C GLU A 15 4.872 1.477 3.734 1.00 0.00 C ATOM 240 O GLU A 15 5.117 2.655 3.631 1.00 0.00 O ATOM 241 CB GLU A 15 5.161 0.128 5.864 1.00 0.00 C ATOM 242 CG GLU A 15 4.539 -0.134 7.250 1.00 0.00 C ATOM 243 CD GLU A 15 5.511 0.288 8.362 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.889 1.449 8.395 1.00 0.00 O ATOM 245 OE2 GLU A 15 5.854 -0.559 9.170 1.00 0.00 O ATOM 0 H GLU A 15 3.144 -0.899 5.012 1.00 0.00 H new ATOM 0 HA GLU A 15 3.869 1.838 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.376 -0.818 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.110 0.653 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.604 0.418 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.296 -1.192 7.353 1.00 0.00 H new ATOM 252 N ILE A 16 5.105 0.628 2.735 1.00 0.00 N ATOM 253 CA ILE A 16 5.698 1.125 1.430 1.00 0.00 C ATOM 254 C ILE A 16 4.833 2.290 0.906 1.00 0.00 C ATOM 255 O ILE A 16 5.343 3.334 0.537 1.00 0.00 O ATOM 256 CB ILE A 16 5.694 -0.105 0.484 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.019 -0.852 0.681 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.546 0.303 -0.991 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.802 -2.350 0.535 1.00 0.00 C ATOM 0 H ILE A 16 4.912 -0.373 2.768 1.00 0.00 H new ATOM 0 HA ILE A 16 6.712 1.513 1.525 1.00 0.00 H new ATOM 0 HB ILE A 16 4.841 -0.738 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.751 -0.510 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.427 -0.630 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.548 -0.589 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.607 0.840 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.378 0.948 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.749 -2.870 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.086 -2.689 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.415 -2.566 -0.461 1.00 0.00 H new ATOM 271 N LEU A 17 3.526 2.116 0.919 1.00 0.00 N ATOM 272 CA LEU A 17 2.589 3.214 0.472 1.00 0.00 C ATOM 273 C LEU A 17 2.588 4.395 1.472 1.00 0.00 C ATOM 274 O LEU A 17 2.496 5.537 1.077 1.00 0.00 O ATOM 275 CB LEU A 17 1.181 2.602 0.454 1.00 0.00 C ATOM 276 CG LEU A 17 1.086 1.471 -0.567 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.376 0.285 0.034 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.251 1.886 -1.742 1.00 0.00 C ATOM 0 H LEU A 17 3.064 1.258 1.221 1.00 0.00 H new ATOM 0 HA LEU A 17 2.900 3.593 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.933 2.223 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.449 3.374 0.216 1.00 0.00 H new ATOM 0 HG LEU A 17 2.105 1.228 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.315 -0.515 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.929 -0.067 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.630 0.578 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.196 1.065 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.753 2.140 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.703 2.755 -2.220 1.00 0.00 H new ATOM 290 N HIS A 18 2.648 4.116 2.763 1.00 0.00 N ATOM 291 CA HIS A 18 2.604 5.208 3.804 1.00 0.00 C ATOM 292 C HIS A 18 3.991 5.830 4.101 1.00 0.00 C ATOM 293 O HIS A 18 4.073 6.762 4.885 1.00 0.00 O ATOM 294 CB HIS A 18 2.014 4.545 5.069 1.00 0.00 C ATOM 295 CG HIS A 18 0.518 4.359 4.902 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.226 3.385 4.283 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.409 5.281 5.370 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.561 3.714 4.338 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.631 4.833 5.009 1.00 0.00 N flip ATOM 0 H HIS A 18 2.726 3.172 3.141 1.00 0.00 H new ATOM 0 HA HIS A 18 2.001 6.043 3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.492 3.581 5.242 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.217 5.163 5.943 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.154 2.544 3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.193 6.186 5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.384 3.159 3.913 1.00 0.00 H new ATOM 307 N LEU A 19 5.073 5.357 3.487 1.00 0.00 N ATOM 308 CA LEU A 19 6.424 5.976 3.760 1.00 0.00 C ATOM 309 C LEU A 19 6.436 7.415 3.195 1.00 0.00 C ATOM 310 O LEU A 19 6.088 7.620 2.042 1.00 0.00 O ATOM 311 CB LEU A 19 7.472 5.104 3.040 1.00 0.00 C ATOM 312 CG LEU A 19 7.861 3.887 3.903 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.688 2.915 3.059 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.692 4.321 5.117 1.00 0.00 C ATOM 0 H LEU A 19 5.075 4.584 2.822 1.00 0.00 H new ATOM 0 HA LEU A 19 6.642 6.023 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.074 4.765 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.359 5.699 2.823 1.00 0.00 H new ATOM 0 HG LEU A 19 6.948 3.406 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.966 2.052 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.099 2.583 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.590 3.416 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.954 3.445 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.602 4.815 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.111 5.012 5.728 1.00 0.00 H new ATOM 326 N PRO A 20 6.802 8.372 4.036 1.00 0.00 N ATOM 327 CA PRO A 20 6.817 9.815 3.624 1.00 0.00 C ATOM 328 C PRO A 20 7.818 10.147 2.491 1.00 0.00 C ATOM 329 O PRO A 20 7.697 11.197 1.881 1.00 0.00 O ATOM 330 CB PRO A 20 7.186 10.551 4.915 1.00 0.00 C ATOM 331 CG PRO A 20 7.900 9.535 5.740 1.00 0.00 C ATOM 332 CD PRO A 20 7.238 8.219 5.437 1.00 0.00 C ATOM 0 HA PRO A 20 5.856 10.107 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.821 11.413 4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.298 10.923 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.961 9.505 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.828 9.773 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.930 7.385 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.395 8.030 6.102 1.00 0.00 H new ATOM 340 N ASN A 21 8.794 9.299 2.191 1.00 0.00 N ATOM 341 CA ASN A 21 9.763 9.633 1.092 1.00 0.00 C ATOM 342 C ASN A 21 9.746 8.578 -0.035 1.00 0.00 C ATOM 343 O ASN A 21 10.600 8.605 -0.909 1.00 0.00 O ATOM 344 CB ASN A 21 11.136 9.715 1.776 1.00 0.00 C ATOM 345 CG ASN A 21 11.154 10.898 2.755 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.231 12.039 2.346 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.076 10.675 4.041 1.00 0.00 N ATOM 0 H ASN A 21 8.954 8.405 2.656 1.00 0.00 H new ATOM 0 HA ASN A 21 9.501 10.570 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.345 8.787 2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.919 9.837 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.080 11.457 4.695 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.011 9.719 4.390 1.00 0.00 H new ATOM 354 N LEU A 22 8.766 7.680 -0.060 1.00 0.00 N ATOM 355 CA LEU A 22 8.699 6.678 -1.174 1.00 0.00 C ATOM 356 C LEU A 22 7.852 7.249 -2.312 1.00 0.00 C ATOM 357 O LEU A 22 6.787 7.806 -2.090 1.00 0.00 O ATOM 358 CB LEU A 22 8.049 5.389 -0.612 1.00 0.00 C ATOM 359 CG LEU A 22 9.090 4.428 0.021 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.646 2.981 -0.201 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.472 4.590 -0.612 1.00 0.00 C ATOM 0 H LEU A 22 8.025 7.606 0.637 1.00 0.00 H new ATOM 0 HA LEU A 22 9.693 6.454 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.304 5.658 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.522 4.872 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 22 9.153 4.670 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.376 2.304 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.674 2.823 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.571 2.783 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.171 3.899 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.411 4.373 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.820 5.613 -0.469 1.00 0.00 H new ATOM 373 N ASN A 23 8.323 7.100 -3.524 1.00 0.00 N ATOM 374 CA ASN A 23 7.563 7.619 -4.715 1.00 0.00 C ATOM 375 C ASN A 23 6.879 6.470 -5.452 1.00 0.00 C ATOM 376 O ASN A 23 6.948 5.331 -5.033 1.00 0.00 O ATOM 377 CB ASN A 23 8.575 8.345 -5.634 1.00 0.00 C ATOM 378 CG ASN A 23 9.861 7.526 -5.829 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.865 6.549 -6.543 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.956 7.884 -5.212 1.00 0.00 N ATOM 0 H ASN A 23 9.205 6.640 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 23 6.781 8.310 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.114 8.534 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.824 9.315 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.811 7.340 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.956 8.707 -4.609 1.00 0.00 H new ATOM 387 N GLU A 24 6.210 6.766 -6.543 1.00 0.00 N ATOM 388 CA GLU A 24 5.501 5.690 -7.318 1.00 0.00 C ATOM 389 C GLU A 24 6.501 4.647 -7.839 1.00 0.00 C ATOM 390 O GLU A 24 6.199 3.478 -7.856 1.00 0.00 O ATOM 391 CB GLU A 24 4.786 6.395 -8.478 1.00 0.00 C ATOM 392 CG GLU A 24 3.828 5.405 -9.157 1.00 0.00 C ATOM 393 CD GLU A 24 3.164 6.063 -10.370 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.186 6.765 -10.177 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.638 5.840 -11.472 1.00 0.00 O ATOM 0 H GLU A 24 6.123 7.705 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 24 4.790 5.153 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.234 7.259 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.515 6.766 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.374 4.515 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.067 5.079 -8.448 1.00 0.00 H new ATOM 402 N GLU A 25 7.691 5.057 -8.239 1.00 0.00 N ATOM 403 CA GLU A 25 8.707 4.065 -8.739 1.00 0.00 C ATOM 404 C GLU A 25 9.162 3.140 -7.590 1.00 0.00 C ATOM 405 O GLU A 25 9.202 1.936 -7.750 1.00 0.00 O ATOM 406 CB GLU A 25 9.879 4.914 -9.272 1.00 0.00 C ATOM 407 CG GLU A 25 11.054 4.012 -9.694 1.00 0.00 C ATOM 408 CD GLU A 25 12.076 3.901 -8.548 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.667 4.910 -8.196 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.246 2.805 -8.039 1.00 0.00 O ATOM 0 H GLU A 25 7.999 6.029 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 25 8.303 3.416 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.547 5.509 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.208 5.613 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.685 3.021 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.535 4.421 -10.582 1.00 0.00 H new ATOM 417 N GLN A 26 9.502 3.698 -6.443 1.00 0.00 N ATOM 418 CA GLN A 26 9.963 2.857 -5.277 1.00 0.00 C ATOM 419 C GLN A 26 8.796 2.093 -4.644 1.00 0.00 C ATOM 420 O GLN A 26 8.874 0.894 -4.461 1.00 0.00 O ATOM 421 CB GLN A 26 10.580 3.844 -4.269 1.00 0.00 C ATOM 422 CG GLN A 26 11.813 4.534 -4.882 1.00 0.00 C ATOM 423 CD GLN A 26 13.035 3.596 -4.874 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.914 2.400 -5.060 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.224 4.094 -4.669 1.00 0.00 N ATOM 0 H GLN A 26 9.480 4.702 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 26 10.682 2.103 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.841 4.592 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.866 3.315 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.592 4.839 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.043 5.440 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.337 5.095 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.040 3.482 -4.666 1.00 0.00 H new ATOM 434 N ARG A 27 7.725 2.780 -4.308 1.00 0.00 N ATOM 435 CA ARG A 27 6.541 2.109 -3.667 1.00 0.00 C ATOM 436 C ARG A 27 5.913 1.026 -4.584 1.00 0.00 C ATOM 437 O ARG A 27 5.638 -0.069 -4.135 1.00 0.00 O ATOM 438 CB ARG A 27 5.530 3.244 -3.433 1.00 0.00 C ATOM 439 CG ARG A 27 4.196 2.691 -2.912 1.00 0.00 C ATOM 440 CD ARG A 27 3.102 3.756 -3.058 1.00 0.00 C ATOM 441 NE ARG A 27 2.991 4.021 -4.534 1.00 0.00 N ATOM 442 CZ ARG A 27 3.023 5.253 -5.000 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.889 6.123 -4.528 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.193 5.611 -5.949 1.00 0.00 N ATOM 0 H ARG A 27 7.619 3.784 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 27 6.832 1.594 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.937 3.957 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.365 3.787 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.921 1.795 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.296 2.399 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.155 3.403 -2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.364 4.664 -2.515 1.00 0.00 H new ATOM 0 HE ARG A 27 2.890 3.239 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.543 5.846 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.907 7.075 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.526 4.937 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.214 6.564 -6.313 1.00 0.00 H new ATOM 458 N ASN A 28 5.673 1.333 -5.852 1.00 0.00 N ATOM 459 CA ASN A 28 5.046 0.323 -6.785 1.00 0.00 C ATOM 460 C ASN A 28 5.986 -0.858 -7.026 1.00 0.00 C ATOM 461 O ASN A 28 5.559 -1.996 -6.986 1.00 0.00 O ATOM 462 CB ASN A 28 4.782 1.066 -8.091 1.00 0.00 C ATOM 463 CG ASN A 28 4.187 0.112 -9.135 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.317 -0.678 -8.832 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.636 0.147 -10.359 1.00 0.00 N ATOM 0 H ASN A 28 5.884 2.236 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 28 4.129 -0.087 -6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.097 1.895 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.711 1.495 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.256 -0.489 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.367 0.810 -10.615 1.00 0.00 H new ATOM 472 N ALA A 29 7.261 -0.592 -7.251 1.00 0.00 N ATOM 473 CA ALA A 29 8.245 -1.708 -7.458 1.00 0.00 C ATOM 474 C ALA A 29 8.227 -2.613 -6.233 1.00 0.00 C ATOM 475 O ALA A 29 8.286 -3.822 -6.347 1.00 0.00 O ATOM 476 CB ALA A 29 9.597 -1.038 -7.564 1.00 0.00 C ATOM 0 H ALA A 29 7.657 0.347 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 29 8.016 -2.306 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.367 -1.794 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.595 -0.347 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.804 -0.489 -6.645 1.00 0.00 H new ATOM 482 N PHE A 30 8.100 -2.015 -5.064 1.00 0.00 N ATOM 483 CA PHE A 30 8.016 -2.803 -3.808 1.00 0.00 C ATOM 484 C PHE A 30 6.774 -3.647 -3.827 1.00 0.00 C ATOM 485 O PHE A 30 6.830 -4.807 -3.536 1.00 0.00 O ATOM 486 CB PHE A 30 7.948 -1.779 -2.683 1.00 0.00 C ATOM 487 CG PHE A 30 9.341 -1.311 -2.346 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.448 -2.145 -2.578 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.527 -0.057 -1.776 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.713 -1.731 -2.235 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.806 0.360 -1.441 1.00 0.00 C ATOM 492 CZ PHE A 30 11.899 -0.490 -1.668 1.00 0.00 C ATOM 0 H PHE A 30 8.052 -1.004 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 30 8.867 -3.472 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.331 -0.932 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.478 -2.219 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.304 -3.116 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.680 0.589 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.560 -2.378 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.961 1.337 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.894 -0.169 -1.396 1.00 0.00 H new ATOM 502 N ILE A 31 5.672 -3.075 -4.220 1.00 0.00 N ATOM 503 CA ILE A 31 4.409 -3.855 -4.320 1.00 0.00 C ATOM 504 C ILE A 31 4.578 -4.969 -5.375 1.00 0.00 C ATOM 505 O ILE A 31 3.994 -6.019 -5.239 1.00 0.00 O ATOM 506 CB ILE A 31 3.347 -2.815 -4.677 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.180 -1.891 -3.469 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.029 -3.502 -4.973 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.544 -0.581 -3.887 1.00 0.00 C ATOM 0 H ILE A 31 5.592 -2.092 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 31 4.125 -4.375 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 31 3.650 -2.251 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.562 -2.378 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.151 -1.701 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.278 -2.754 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.156 -4.187 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.704 -4.060 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.433 0.064 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.177 -0.088 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.564 -0.775 -4.322 1.00 0.00 H new ATOM 521 N GLN A 32 5.423 -4.774 -6.386 1.00 0.00 N ATOM 522 CA GLN A 32 5.666 -5.868 -7.388 1.00 0.00 C ATOM 523 C GLN A 32 6.524 -6.973 -6.727 1.00 0.00 C ATOM 524 O GLN A 32 6.169 -8.136 -6.761 1.00 0.00 O ATOM 525 CB GLN A 32 6.393 -5.204 -8.570 1.00 0.00 C ATOM 526 CG GLN A 32 5.411 -4.297 -9.326 1.00 0.00 C ATOM 527 CD GLN A 32 6.145 -3.538 -10.435 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.617 -2.439 -10.222 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.260 -4.077 -11.620 1.00 0.00 N ATOM 0 H GLN A 32 5.944 -3.912 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 32 4.747 -6.341 -7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.240 -4.621 -8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.792 -5.965 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.607 -4.895 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.950 -3.591 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.865 -5.000 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.745 -3.575 -12.364 1.00 0.00 H new ATOM 538 N SER A 33 7.619 -6.598 -6.075 1.00 0.00 N ATOM 539 CA SER A 33 8.492 -7.599 -5.343 1.00 0.00 C ATOM 540 C SER A 33 7.761 -8.179 -4.110 1.00 0.00 C ATOM 541 O SER A 33 8.023 -9.290 -3.692 1.00 0.00 O ATOM 542 CB SER A 33 9.756 -6.824 -4.919 1.00 0.00 C ATOM 543 OG SER A 33 9.409 -5.541 -4.402 1.00 0.00 O ATOM 0 H SER A 33 7.946 -5.634 -6.019 1.00 0.00 H new ATOM 0 HA SER A 33 8.739 -8.449 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.300 -7.391 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.423 -6.709 -5.774 1.00 0.00 H new ATOM 0 HG SER A 33 8.493 -5.565 -4.054 1.00 0.00 H new ATOM 549 N LEU A 34 6.862 -7.414 -3.531 1.00 0.00 N ATOM 550 CA LEU A 34 6.089 -7.844 -2.318 1.00 0.00 C ATOM 551 C LEU A 34 4.907 -8.758 -2.712 1.00 0.00 C ATOM 552 O LEU A 34 4.702 -9.791 -2.099 1.00 0.00 O ATOM 553 CB LEU A 34 5.626 -6.498 -1.727 1.00 0.00 C ATOM 554 CG LEU A 34 4.930 -6.653 -0.380 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.943 -6.966 0.700 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.248 -5.338 -0.033 1.00 0.00 C ATOM 0 H LEU A 34 6.625 -6.478 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 34 6.664 -8.438 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.488 -5.841 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.947 -6.013 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 34 4.205 -7.465 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.433 -7.074 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.459 -7.895 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.668 -6.155 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.745 -5.432 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.994 -4.545 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.516 -5.093 -0.803 1.00 0.00 H new ATOM 568 N LYS A 35 4.137 -8.389 -3.731 1.00 0.00 N ATOM 569 CA LYS A 35 2.970 -9.244 -4.175 1.00 0.00 C ATOM 570 C LYS A 35 3.478 -10.565 -4.783 1.00 0.00 C ATOM 571 O LYS A 35 2.860 -11.600 -4.608 1.00 0.00 O ATOM 572 CB LYS A 35 2.179 -8.410 -5.217 1.00 0.00 C ATOM 573 CG LYS A 35 1.105 -7.577 -4.528 1.00 0.00 C ATOM 574 CD LYS A 35 -0.225 -7.721 -5.271 1.00 0.00 C ATOM 575 CE LYS A 35 -1.371 -7.755 -4.252 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.813 -9.181 -4.192 1.00 0.00 N ATOM 0 H LYS A 35 4.269 -7.534 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 35 2.328 -9.510 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.860 -7.757 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.719 -9.073 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.990 -7.900 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.406 -6.530 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.361 -6.889 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.225 -8.634 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.037 -7.407 -3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.189 -7.104 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.473 -9.307 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.289 -9.435 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.985 -9.796 -4.055 1.00 0.00 H new ATOM 590 N ASP A 36 4.600 -10.533 -5.484 1.00 0.00 N ATOM 591 CA ASP A 36 5.158 -11.788 -6.097 1.00 0.00 C ATOM 592 C ASP A 36 6.002 -12.587 -5.075 1.00 0.00 C ATOM 593 O ASP A 36 5.964 -13.805 -5.075 1.00 0.00 O ATOM 594 CB ASP A 36 6.024 -11.322 -7.288 1.00 0.00 C ATOM 595 CG ASP A 36 5.175 -10.598 -8.365 1.00 0.00 C ATOM 596 OD1 ASP A 36 3.973 -10.830 -8.440 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.754 -9.825 -9.110 1.00 0.00 O ATOM 0 H ASP A 36 5.149 -9.691 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 36 4.362 -12.459 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.806 -10.652 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.522 -12.183 -7.735 1.00 0.00 H new ATOM 602 N ASP A 37 6.760 -11.918 -4.211 1.00 0.00 N ATOM 603 CA ASP A 37 7.602 -12.652 -3.198 1.00 0.00 C ATOM 604 C ASP A 37 7.139 -12.330 -1.756 1.00 0.00 C ATOM 605 O ASP A 37 7.406 -11.251 -1.249 1.00 0.00 O ATOM 606 CB ASP A 37 9.045 -12.172 -3.427 1.00 0.00 C ATOM 607 CG ASP A 37 10.025 -13.199 -2.844 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.123 -13.281 -1.626 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.661 -13.888 -3.623 1.00 0.00 O ATOM 0 H ASP A 37 6.827 -10.901 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 37 7.515 -13.732 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.231 -12.041 -4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.196 -11.201 -2.955 1.00 0.00 H new ATOM 614 N PRO A 38 6.454 -13.284 -1.143 1.00 0.00 N ATOM 615 CA PRO A 38 5.947 -13.108 0.254 1.00 0.00 C ATOM 616 C PRO A 38 7.078 -13.107 1.309 1.00 0.00 C ATOM 617 O PRO A 38 7.020 -12.358 2.266 1.00 0.00 O ATOM 618 CB PRO A 38 5.039 -14.323 0.451 1.00 0.00 C ATOM 619 CG PRO A 38 5.565 -15.352 -0.490 1.00 0.00 C ATOM 620 CD PRO A 38 6.074 -14.604 -1.685 1.00 0.00 C ATOM 0 HA PRO A 38 5.446 -12.149 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.071 -14.677 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.000 -14.080 0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.362 -15.933 -0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.782 -16.055 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.926 -15.110 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.309 -14.514 -2.456 1.00 0.00 H new ATOM 628 N SER A 39 8.079 -13.959 1.157 1.00 0.00 N ATOM 629 CA SER A 39 9.200 -14.036 2.170 1.00 0.00 C ATOM 630 C SER A 39 10.025 -12.741 2.246 1.00 0.00 C ATOM 631 O SER A 39 10.464 -12.362 3.318 1.00 0.00 O ATOM 632 CB SER A 39 10.087 -15.206 1.724 1.00 0.00 C ATOM 633 OG SER A 39 9.330 -16.412 1.745 1.00 0.00 O ATOM 0 H SER A 39 8.168 -14.606 0.373 1.00 0.00 H new ATOM 0 HA SER A 39 8.790 -14.180 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.471 -15.023 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.950 -15.294 2.384 1.00 0.00 H new ATOM 0 HG SER A 39 9.896 -17.159 1.458 1.00 0.00 H new ATOM 639 N GLN A 40 10.237 -12.059 1.137 1.00 0.00 N ATOM 640 CA GLN A 40 11.035 -10.787 1.177 1.00 0.00 C ATOM 641 C GLN A 40 10.163 -9.582 1.583 1.00 0.00 C ATOM 642 O GLN A 40 10.643 -8.473 1.573 1.00 0.00 O ATOM 643 CB GLN A 40 11.573 -10.592 -0.253 1.00 0.00 C ATOM 644 CG GLN A 40 12.948 -9.915 -0.202 1.00 0.00 C ATOM 645 CD GLN A 40 14.031 -10.966 0.074 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.462 -11.659 -0.824 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.485 -11.124 1.290 1.00 0.00 N ATOM 0 H GLN A 40 9.894 -12.327 0.215 1.00 0.00 H new ATOM 0 HA GLN A 40 11.834 -10.853 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.650 -11.555 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.879 -9.984 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.150 -9.409 -1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.960 -9.153 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.126 -10.544 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.199 -11.828 1.481 1.00 0.00 H new ATOM 656 N SER A 41 8.892 -9.776 1.915 1.00 0.00 N ATOM 657 CA SER A 41 8.007 -8.611 2.277 1.00 0.00 C ATOM 658 C SER A 41 8.572 -7.768 3.429 1.00 0.00 C ATOM 659 O SER A 41 8.620 -6.558 3.311 1.00 0.00 O ATOM 660 CB SER A 41 6.646 -9.215 2.658 1.00 0.00 C ATOM 661 OG SER A 41 6.774 -10.025 3.825 1.00 0.00 O ATOM 0 H SER A 41 8.437 -10.688 1.949 1.00 0.00 H new ATOM 0 HA SER A 41 7.929 -7.925 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.924 -8.418 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.262 -9.813 1.832 1.00 0.00 H new ATOM 0 HG SER A 41 6.880 -10.963 3.562 1.00 0.00 H new ATOM 667 N ALA A 42 9.015 -8.367 4.523 1.00 0.00 N ATOM 668 CA ALA A 42 9.601 -7.526 5.628 1.00 0.00 C ATOM 669 C ALA A 42 10.824 -6.781 5.099 1.00 0.00 C ATOM 670 O ALA A 42 10.949 -5.587 5.283 1.00 0.00 O ATOM 671 CB ALA A 42 10.062 -8.477 6.696 1.00 0.00 C ATOM 0 H ALA A 42 8.997 -9.372 4.694 1.00 0.00 H new ATOM 0 HA ALA A 42 8.869 -6.811 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.496 -7.914 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.213 -9.056 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.812 -9.152 6.283 1.00 0.00 H new ATOM 677 N ASN A 43 11.703 -7.492 4.403 1.00 0.00 N ATOM 678 CA ASN A 43 12.910 -6.849 3.792 1.00 0.00 C ATOM 679 C ASN A 43 12.464 -5.737 2.863 1.00 0.00 C ATOM 680 O ASN A 43 13.090 -4.716 2.798 1.00 0.00 O ATOM 681 CB ASN A 43 13.592 -7.919 2.951 1.00 0.00 C ATOM 682 CG ASN A 43 14.770 -8.526 3.720 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.729 -9.679 4.099 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.823 -7.796 3.970 1.00 0.00 N ATOM 0 H ASN A 43 11.626 -8.495 4.237 1.00 0.00 H new ATOM 0 HA ASN A 43 13.571 -6.445 4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.876 -8.699 2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.944 -7.486 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.610 -8.194 4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.859 -6.827 3.652 1.00 0.00 H new ATOM 691 N LEU A 44 11.370 -5.949 2.154 1.00 0.00 N ATOM 692 CA LEU A 44 10.836 -4.909 1.225 1.00 0.00 C ATOM 693 C LEU A 44 10.409 -3.702 1.991 1.00 0.00 C ATOM 694 O LEU A 44 10.705 -2.594 1.596 1.00 0.00 O ATOM 695 CB LEU A 44 9.664 -5.539 0.512 1.00 0.00 C ATOM 696 CG LEU A 44 10.230 -6.450 -0.544 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.092 -7.232 -1.167 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.972 -5.584 -1.565 1.00 0.00 C ATOM 0 H LEU A 44 10.825 -6.810 2.186 1.00 0.00 H new ATOM 0 HA LEU A 44 11.593 -4.582 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.042 -6.098 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.030 -4.775 0.063 1.00 0.00 H new ATOM 0 HG LEU A 44 10.936 -7.170 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.486 -7.898 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.591 -7.821 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.379 -6.541 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.393 -6.220 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.277 -4.874 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.775 -5.041 -1.066 1.00 0.00 H new ATOM 710 N LEU A 45 9.771 -3.895 3.113 1.00 0.00 N ATOM 711 CA LEU A 45 9.424 -2.709 3.922 1.00 0.00 C ATOM 712 C LEU A 45 10.728 -2.131 4.477 1.00 0.00 C ATOM 713 O LEU A 45 10.927 -0.952 4.432 1.00 0.00 O ATOM 714 CB LEU A 45 8.497 -3.179 5.017 1.00 0.00 C ATOM 715 CG LEU A 45 8.330 -2.076 6.062 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.036 -0.721 5.378 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.188 -2.476 6.986 1.00 0.00 C ATOM 0 H LEU A 45 9.485 -4.798 3.491 1.00 0.00 H new ATOM 0 HA LEU A 45 8.923 -1.928 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.527 -3.444 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.898 -4.078 5.485 1.00 0.00 H new ATOM 0 HG LEU A 45 9.249 -1.957 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.920 0.052 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.863 -0.460 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.118 -0.799 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.046 -1.705 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.272 -2.587 6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.427 -3.422 7.471 1.00 0.00 H new ATOM 729 N ALA A 46 11.627 -2.968 4.962 1.00 0.00 N ATOM 730 CA ALA A 46 12.949 -2.452 5.470 1.00 0.00 C ATOM 731 C ALA A 46 13.670 -1.663 4.374 1.00 0.00 C ATOM 732 O ALA A 46 14.144 -0.584 4.625 1.00 0.00 O ATOM 733 CB ALA A 46 13.790 -3.679 5.768 1.00 0.00 C ATOM 0 H ALA A 46 11.503 -3.978 5.027 1.00 0.00 H new ATOM 0 HA ALA A 46 12.799 -1.809 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.766 -3.369 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.290 -4.289 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.919 -4.262 4.856 1.00 0.00 H new ATOM 739 N GLU A 47 13.738 -2.196 3.159 1.00 0.00 N ATOM 740 CA GLU A 47 14.405 -1.455 2.047 1.00 0.00 C ATOM 741 C GLU A 47 13.547 -0.240 1.694 1.00 0.00 C ATOM 742 O GLU A 47 14.080 0.813 1.420 1.00 0.00 O ATOM 743 CB GLU A 47 14.629 -2.422 0.869 1.00 0.00 C ATOM 744 CG GLU A 47 13.355 -3.030 0.347 1.00 0.00 C ATOM 745 CD GLU A 47 13.719 -4.226 -0.546 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.917 -4.025 -1.731 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.812 -5.324 -0.021 1.00 0.00 O ATOM 0 H GLU A 47 13.359 -3.108 2.904 1.00 0.00 H new ATOM 0 HA GLU A 47 15.388 -1.080 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.127 -1.888 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.301 -3.220 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.722 -3.353 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.787 -2.292 -0.220 1.00 0.00 H new ATOM 754 N ALA A 48 12.223 -0.345 1.767 1.00 0.00 N ATOM 755 CA ALA A 48 11.377 0.852 1.533 1.00 0.00 C ATOM 756 C ALA A 48 11.638 1.882 2.653 1.00 0.00 C ATOM 757 O ALA A 48 11.736 3.066 2.395 1.00 0.00 O ATOM 758 CB ALA A 48 9.966 0.315 1.616 1.00 0.00 C ATOM 0 H ALA A 48 11.715 -1.204 1.977 1.00 0.00 H new ATOM 0 HA ALA A 48 11.573 1.352 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.257 1.128 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.822 -0.449 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.800 -0.122 2.601 1.00 0.00 H new ATOM 764 N LYS A 49 11.812 1.414 3.886 1.00 0.00 N ATOM 765 CA LYS A 49 12.138 2.316 5.037 1.00 0.00 C ATOM 766 C LYS A 49 13.550 2.866 4.817 1.00 0.00 C ATOM 767 O LYS A 49 13.830 4.031 5.022 1.00 0.00 O ATOM 768 CB LYS A 49 12.100 1.403 6.264 1.00 0.00 C ATOM 769 CG LYS A 49 10.752 1.556 6.947 1.00 0.00 C ATOM 770 CD LYS A 49 10.335 0.205 7.490 1.00 0.00 C ATOM 771 CE LYS A 49 8.980 0.324 8.180 1.00 0.00 C ATOM 772 NZ LYS A 49 9.254 0.816 9.566 1.00 0.00 N ATOM 0 H LYS A 49 11.738 0.427 4.134 1.00 0.00 H new ATOM 0 HA LYS A 49 11.456 3.159 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.257 0.366 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.904 1.663 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.817 2.286 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.009 1.927 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.279 -0.522 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.082 -0.161 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.330 1.016 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.470 -0.639 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.362 0.867 10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.906 0.162 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.684 1.762 9.520 1.00 0.00 H new ATOM 786 N LYS A 50 14.411 1.998 4.331 1.00 0.00 N ATOM 787 CA LYS A 50 15.818 2.355 3.984 1.00 0.00 C ATOM 788 C LYS A 50 15.781 3.440 2.891 1.00 0.00 C ATOM 789 O LYS A 50 16.542 4.390 2.922 1.00 0.00 O ATOM 790 CB LYS A 50 16.388 1.009 3.480 1.00 0.00 C ATOM 791 CG LYS A 50 17.606 1.174 2.565 1.00 0.00 C ATOM 792 CD LYS A 50 17.646 -0.019 1.593 1.00 0.00 C ATOM 793 CE LYS A 50 18.098 -1.287 2.339 1.00 0.00 C ATOM 794 NZ LYS A 50 18.286 -2.327 1.281 1.00 0.00 N ATOM 0 H LYS A 50 14.180 1.020 4.156 1.00 0.00 H new ATOM 0 HA LYS A 50 16.422 2.764 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.666 0.396 4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.608 0.470 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.542 2.112 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.522 1.214 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.660 -0.176 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.330 0.193 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.024 -1.111 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.351 -1.600 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.594 -3.218 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.387 -2.480 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.008 -2.007 0.604 1.00 0.00 H new ATOM 808 N LEU A 51 14.855 3.308 1.952 1.00 0.00 N ATOM 809 CA LEU A 51 14.693 4.329 0.869 1.00 0.00 C ATOM 810 C LEU A 51 14.080 5.602 1.449 1.00 0.00 C ATOM 811 O LEU A 51 14.422 6.694 1.053 1.00 0.00 O ATOM 812 CB LEU A 51 13.713 3.705 -0.132 1.00 0.00 C ATOM 813 CG LEU A 51 14.438 3.095 -1.336 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.778 2.474 -0.934 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.556 2.005 -1.919 1.00 0.00 C ATOM 0 H LEU A 51 14.203 2.525 1.898 1.00 0.00 H new ATOM 0 HA LEU A 51 15.646 4.590 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.126 2.934 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.013 4.466 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 51 14.633 3.886 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.262 2.052 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.419 3.241 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.608 1.686 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.053 1.556 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.376 1.240 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.605 2.436 -2.233 1.00 0.00 H new ATOM 827 N ASN A 52 13.172 5.449 2.390 1.00 0.00 N ATOM 828 CA ASN A 52 12.506 6.619 3.032 1.00 0.00 C ATOM 829 C ASN A 52 13.548 7.561 3.652 1.00 0.00 C ATOM 830 O ASN A 52 13.443 8.761 3.526 1.00 0.00 O ATOM 831 CB ASN A 52 11.614 6.012 4.118 1.00 0.00 C ATOM 832 CG ASN A 52 10.727 7.094 4.721 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.800 7.548 4.093 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.984 7.530 5.924 1.00 0.00 N ATOM 0 H ASN A 52 12.863 4.543 2.742 1.00 0.00 H new ATOM 0 HA ASN A 52 11.938 7.213 2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.998 5.218 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.229 5.558 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.401 8.257 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.768 7.143 6.450 1.00 0.00 H new ATOM 841 N ASP A 53 14.551 7.015 4.310 1.00 0.00 N ATOM 842 CA ASP A 53 15.617 7.874 4.936 1.00 0.00 C ATOM 843 C ASP A 53 16.677 8.287 3.898 1.00 0.00 C ATOM 844 O ASP A 53 17.135 9.417 3.904 1.00 0.00 O ATOM 845 CB ASP A 53 16.256 7.021 6.041 1.00 0.00 C ATOM 846 CG ASP A 53 15.204 6.606 7.083 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.583 7.484 7.665 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.042 5.415 7.286 1.00 0.00 O ATOM 0 H ASP A 53 14.677 6.011 4.440 1.00 0.00 H new ATOM 0 HA ASP A 53 15.191 8.795 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.712 6.133 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.054 7.583 6.526 1.00 0.00 H new ATOM 853 N ALA A 54 17.066 7.383 3.013 1.00 0.00 N ATOM 854 CA ALA A 54 18.099 7.723 1.968 1.00 0.00 C ATOM 855 C ALA A 54 17.534 8.767 0.991 1.00 0.00 C ATOM 856 O ALA A 54 18.136 9.805 0.774 1.00 0.00 O ATOM 857 CB ALA A 54 18.394 6.404 1.244 1.00 0.00 C ATOM 0 H ALA A 54 16.712 6.427 2.971 1.00 0.00 H new ATOM 0 HA ALA A 54 19.002 8.150 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.139 6.574 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.774 5.674 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.478 6.025 0.791 1.00 0.00 H new ATOM 863 N GLN A 55 16.363 8.509 0.438 1.00 0.00 N ATOM 864 CA GLN A 55 15.707 9.489 -0.500 1.00 0.00 C ATOM 865 C GLN A 55 15.264 10.756 0.261 1.00 0.00 C ATOM 866 O GLN A 55 15.140 11.814 -0.330 1.00 0.00 O ATOM 867 CB GLN A 55 14.486 8.779 -1.090 1.00 0.00 C ATOM 868 CG GLN A 55 14.927 7.583 -1.949 1.00 0.00 C ATOM 869 CD GLN A 55 13.709 7.017 -2.675 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.670 6.986 -3.887 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.699 6.579 -1.977 1.00 0.00 N ATOM 0 H GLN A 55 15.830 7.654 0.599 1.00 0.00 H new ATOM 0 HA GLN A 55 16.401 9.802 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.832 8.437 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.909 9.477 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.683 7.895 -2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.382 6.816 -1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.733 6.606 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.874 6.209 -2.450 1.00 0.00 H new ATOM 880 N ALA A 56 15.011 10.644 1.565 1.00 0.00 N ATOM 881 CA ALA A 56 14.561 11.829 2.381 1.00 0.00 C ATOM 882 C ALA A 56 15.526 13.013 2.259 1.00 0.00 C ATOM 883 O ALA A 56 16.713 12.830 2.028 1.00 0.00 O ATOM 884 CB ALA A 56 14.542 11.371 3.841 1.00 0.00 C ATOM 0 H ALA A 56 15.100 9.775 2.092 1.00 0.00 H new ATOM 0 HA ALA A 56 13.586 12.162 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.221 12.196 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.849 10.537 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.542 11.053 4.136 1.00 0.00 H new ATOM 890 N PRO A 57 14.976 14.198 2.441 1.00 0.00 N ATOM 891 CA PRO A 57 15.791 15.433 2.369 1.00 0.00 C ATOM 892 C PRO A 57 16.741 15.522 3.577 1.00 0.00 C ATOM 893 O PRO A 57 16.406 15.099 4.674 1.00 0.00 O ATOM 894 CB PRO A 57 14.754 16.552 2.381 1.00 0.00 C ATOM 895 CG PRO A 57 13.564 15.962 3.061 1.00 0.00 C ATOM 896 CD PRO A 57 13.560 14.496 2.728 1.00 0.00 C ATOM 0 HA PRO A 57 16.432 15.477 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.122 17.427 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.511 16.877 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.619 16.114 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.646 16.439 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.185 13.898 3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.924 14.282 1.869 1.00 0.00 H new ATOM 904 N LYS A 58 17.924 16.056 3.370 1.00 0.00 N ATOM 905 CA LYS A 58 18.928 16.166 4.485 1.00 0.00 C ATOM 906 C LYS A 58 19.551 17.573 4.516 1.00 0.00 C ATOM 907 O LYS A 58 20.019 18.030 3.481 1.00 0.00 O ATOM 908 CB LYS A 58 19.994 15.099 4.176 1.00 0.00 C ATOM 909 CG LYS A 58 19.362 13.699 4.201 1.00 0.00 C ATOM 910 CD LYS A 58 20.439 12.635 3.978 1.00 0.00 C ATOM 911 CE LYS A 58 19.777 11.264 3.757 1.00 0.00 C ATOM 912 NZ LYS A 58 19.522 10.707 5.122 1.00 0.00 N ATOM 913 OXT LYS A 58 19.550 18.172 5.579 1.00 0.00 O ATOM 0 H LYS A 58 18.240 16.423 2.472 1.00 0.00 H new ATOM 0 HA LYS A 58 18.472 16.009 5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.437 15.289 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.800 15.156 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.866 13.532 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.597 13.622 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.050 12.898 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.106 12.593 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.848 11.365 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.427 10.605 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.663 10.121 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.332 10.125 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.393 11.488 5.797 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -11.177 -12.002 -11.900 1.00 0.00 N ATOM 929 CA VAL B 1 -9.909 -12.804 -11.809 1.00 0.00 C ATOM 930 C VAL B 1 -8.702 -11.883 -11.530 1.00 0.00 C ATOM 931 O VAL B 1 -8.604 -10.791 -12.069 1.00 0.00 O ATOM 932 CB VAL B 1 -9.768 -13.545 -13.166 1.00 0.00 C ATOM 933 CG1 VAL B 1 -9.591 -12.556 -14.331 1.00 0.00 C ATOM 934 CG2 VAL B 1 -8.554 -14.484 -13.115 1.00 0.00 C ATOM 0 H1 VAL B 1 -11.723 -12.308 -12.731 1.00 0.00 H new ATOM 0 H2 VAL B 1 -11.743 -12.149 -11.040 1.00 0.00 H new ATOM 0 H3 VAL B 1 -10.944 -10.993 -11.992 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.941 -13.517 -10.985 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.682 -14.115 -13.334 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -9.495 -13.108 -15.266 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -10.459 -11.899 -14.385 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -8.693 -11.959 -14.169 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -8.456 -15.004 -14.068 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -7.652 -13.903 -12.924 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -8.691 -15.213 -12.317 1.00 0.00 H new ATOM 946 N ASP B 2 -7.789 -12.326 -10.687 1.00 0.00 N ATOM 947 CA ASP B 2 -6.585 -11.495 -10.361 1.00 0.00 C ATOM 948 C ASP B 2 -5.376 -11.952 -11.190 1.00 0.00 C ATOM 949 O ASP B 2 -5.126 -13.136 -11.343 1.00 0.00 O ATOM 950 CB ASP B 2 -6.322 -11.708 -8.865 1.00 0.00 C ATOM 951 CG ASP B 2 -5.616 -10.475 -8.293 1.00 0.00 C ATOM 952 OD1 ASP B 2 -4.416 -10.346 -8.490 1.00 0.00 O ATOM 953 OD2 ASP B 2 -6.290 -9.677 -7.671 1.00 0.00 O ATOM 0 H ASP B 2 -7.830 -13.228 -10.213 1.00 0.00 H new ATOM 0 HA ASP B 2 -6.750 -10.443 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -7.262 -11.879 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -5.707 -12.595 -8.715 1.00 0.00 H new ATOM 958 N ASN B 3 -4.627 -11.008 -11.718 1.00 0.00 N ATOM 959 CA ASN B 3 -3.420 -11.345 -12.542 1.00 0.00 C ATOM 960 C ASN B 3 -2.213 -10.526 -12.042 1.00 0.00 C ATOM 961 O ASN B 3 -1.590 -9.795 -12.798 1.00 0.00 O ATOM 962 CB ASN B 3 -3.806 -10.965 -13.982 1.00 0.00 C ATOM 963 CG ASN B 3 -4.844 -11.959 -14.522 1.00 0.00 C ATOM 964 OD1 ASN B 3 -4.496 -13.037 -14.961 1.00 0.00 O ATOM 965 ND2 ASN B 3 -6.112 -11.646 -14.498 1.00 0.00 N ATOM 0 H ASN B 3 -4.804 -10.009 -11.611 1.00 0.00 H new ATOM 0 HA ASN B 3 -3.134 -12.395 -12.477 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -4.212 -9.954 -14.005 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -2.921 -10.968 -14.618 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -6.807 -12.306 -14.847 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -6.407 -10.742 -14.130 1.00 0.00 H new ATOM 972 N LYS B 4 -1.896 -10.640 -10.755 1.00 0.00 N ATOM 973 CA LYS B 4 -0.747 -9.874 -10.143 1.00 0.00 C ATOM 974 C LYS B 4 -0.932 -8.360 -10.367 1.00 0.00 C ATOM 975 O LYS B 4 -0.111 -7.709 -10.999 1.00 0.00 O ATOM 976 CB LYS B 4 0.543 -10.400 -10.809 1.00 0.00 C ATOM 977 CG LYS B 4 0.836 -11.828 -10.336 1.00 0.00 C ATOM 978 CD LYS B 4 2.173 -12.296 -10.923 1.00 0.00 C ATOM 979 CE LYS B 4 2.478 -13.724 -10.443 1.00 0.00 C ATOM 980 NZ LYS B 4 3.702 -13.610 -9.589 1.00 0.00 N ATOM 0 H LYS B 4 -2.395 -11.241 -10.099 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.697 -10.022 -9.064 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.434 -10.383 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.381 -9.748 -10.562 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.873 -11.862 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.035 -12.498 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.132 -12.269 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.972 -11.621 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.642 -14.134 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.650 -14.393 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.693 -14.359 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.550 -13.711 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.715 -12.680 -9.123 1.00 0.00 H new ATOM 994 N PHE B 5 -2.015 -7.803 -9.855 1.00 0.00 N ATOM 995 CA PHE B 5 -2.288 -6.338 -10.021 1.00 0.00 C ATOM 996 C PHE B 5 -1.429 -5.526 -9.026 1.00 0.00 C ATOM 997 O PHE B 5 -1.939 -4.911 -8.100 1.00 0.00 O ATOM 998 CB PHE B 5 -3.790 -6.183 -9.710 1.00 0.00 C ATOM 999 CG PHE B 5 -4.662 -6.838 -10.771 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.316 -6.778 -12.131 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.833 -7.498 -10.380 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.141 -7.378 -13.090 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.656 -8.097 -11.341 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.310 -8.036 -12.694 1.00 0.00 C ATOM 0 H PHE B 5 -2.724 -8.310 -9.326 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.042 -5.972 -11.018 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -4.007 -6.626 -8.738 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -4.038 -5.124 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.414 -6.269 -12.437 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -6.102 -7.545 -9.335 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -4.875 -7.333 -14.136 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.558 -8.606 -11.037 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.946 -8.498 -13.435 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.122 -5.533 -9.215 1.00 0.00 N ATOM 1015 CA ASN B 6 0.797 -4.778 -8.289 1.00 0.00 C ATOM 1016 C ASN B 6 0.795 -3.286 -8.643 1.00 0.00 C ATOM 1017 O ASN B 6 0.788 -2.437 -7.768 1.00 0.00 O ATOM 1018 CB ASN B 6 2.206 -5.382 -8.473 1.00 0.00 C ATOM 1019 CG ASN B 6 2.182 -6.926 -8.378 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.270 -7.510 -7.828 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.154 -7.618 -8.912 1.00 0.00 N ATOM 0 H ASN B 6 0.348 -6.030 -9.972 1.00 0.00 H new ATOM 0 HA ASN B 6 0.473 -4.865 -7.252 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.607 -5.083 -9.442 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.876 -4.981 -7.713 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.141 -8.637 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.925 -7.139 -9.377 1.00 0.00 H new ATOM 1028 N LYS B 7 0.765 -2.974 -9.921 1.00 0.00 N ATOM 1029 CA LYS B 7 0.719 -1.534 -10.368 1.00 0.00 C ATOM 1030 C LYS B 7 -0.546 -0.864 -9.834 1.00 0.00 C ATOM 1031 O LYS B 7 -0.543 0.305 -9.490 1.00 0.00 O ATOM 1032 CB LYS B 7 0.696 -1.555 -11.904 1.00 0.00 C ATOM 1033 CG LYS B 7 1.715 -0.548 -12.465 1.00 0.00 C ATOM 1034 CD LYS B 7 1.404 0.870 -11.958 1.00 0.00 C ATOM 1035 CE LYS B 7 2.469 1.852 -12.468 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.654 2.851 -11.371 1.00 0.00 N ATOM 0 H LYS B 7 0.770 -3.656 -10.679 1.00 0.00 H new ATOM 0 HA LYS B 7 1.577 -0.975 -9.994 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.928 -2.557 -12.265 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.304 -1.310 -12.263 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.723 -0.835 -12.165 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.690 -0.565 -13.555 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.417 1.180 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.380 0.879 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.403 1.336 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.146 2.337 -13.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.009 3.743 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.743 3.021 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.339 2.485 -10.680 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.615 -1.616 -9.748 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.897 -1.073 -9.216 1.00 0.00 C ATOM 1052 C GLU B 8 -2.753 -0.682 -7.747 1.00 0.00 C ATOM 1053 O GLU B 8 -3.354 0.271 -7.321 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.927 -2.197 -9.388 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.879 -1.863 -10.540 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.152 -2.717 -10.437 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.055 -3.925 -10.590 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.206 -2.145 -10.209 1.00 0.00 O ATOM 0 H GLU B 8 -1.651 -2.596 -10.028 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.201 -0.170 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.418 -3.140 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.492 -2.328 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.138 -0.805 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.385 -2.046 -11.495 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.941 -1.381 -6.982 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.757 -0.989 -5.538 1.00 0.00 C ATOM 1067 C LEU B 9 -0.940 0.294 -5.437 1.00 0.00 C ATOM 1068 O LEU B 9 -1.094 1.049 -4.500 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.012 -2.099 -4.809 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.619 -3.476 -5.087 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.628 -4.561 -4.624 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.937 -3.583 -4.307 1.00 0.00 C ATOM 0 H LEU B 9 -1.405 -2.193 -7.286 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.738 -0.829 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.034 -2.095 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.031 -1.904 -3.737 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.814 -3.611 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.051 -5.547 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.309 -4.455 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.440 -4.450 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.390 -4.558 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.739 -3.468 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.619 -2.799 -4.636 1.00 0.00 H new ATOM 1084 N SER B 10 -0.086 0.558 -6.403 1.00 0.00 N ATOM 1085 CA SER B 10 0.706 1.818 -6.367 1.00 0.00 C ATOM 1086 C SER B 10 -0.275 2.998 -6.502 1.00 0.00 C ATOM 1087 O SER B 10 -0.218 3.948 -5.744 1.00 0.00 O ATOM 1088 CB SER B 10 1.665 1.726 -7.559 1.00 0.00 C ATOM 1089 OG SER B 10 2.099 3.027 -7.944 1.00 0.00 O ATOM 0 H SER B 10 0.091 -0.045 -7.207 1.00 0.00 H new ATOM 0 HA SER B 10 1.269 1.964 -5.445 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.526 1.111 -7.296 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.168 1.238 -8.397 1.00 0.00 H new ATOM 0 HG SER B 10 1.837 3.198 -8.873 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.197 2.909 -7.448 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.204 4.009 -7.650 1.00 0.00 C ATOM 1097 C VAL B 11 -3.350 3.891 -6.626 1.00 0.00 C ATOM 1098 O VAL B 11 -3.654 4.834 -5.921 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.730 3.822 -9.090 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.602 5.018 -9.480 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.551 3.706 -10.075 1.00 0.00 C ATOM 0 H VAL B 11 -1.292 2.120 -8.087 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.763 4.996 -7.508 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.322 2.908 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.971 4.883 -10.497 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.446 5.092 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.010 5.932 -9.428 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.934 3.574 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.949 4.613 -10.030 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.935 2.848 -9.806 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.978 2.732 -6.549 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.112 2.516 -5.584 1.00 0.00 C ATOM 1113 C ALA B 12 -4.640 2.581 -4.141 1.00 0.00 C ATOM 1114 O ALA B 12 -5.216 3.269 -3.329 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.650 1.109 -5.882 1.00 0.00 C ATOM 0 H ALA B 12 -3.749 1.919 -7.121 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.869 3.290 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.481 0.888 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.995 1.063 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.857 0.377 -5.731 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.600 1.860 -3.834 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.061 1.812 -2.452 1.00 0.00 C ATOM 1123 C GLY B 13 -2.600 3.176 -1.989 1.00 0.00 C ATOM 1124 O GLY B 13 -3.033 3.636 -0.953 1.00 0.00 O ATOM 0 H GLY B 13 -3.088 1.286 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.828 1.437 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.227 1.111 -2.410 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.707 3.812 -2.718 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.194 5.144 -2.254 1.00 0.00 C ATOM 1130 C ARG B 14 -2.327 6.187 -2.142 1.00 0.00 C ATOM 1131 O ARG B 14 -2.358 6.955 -1.197 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.125 5.591 -3.256 1.00 0.00 C ATOM 1133 CG ARG B 14 1.103 6.106 -2.498 1.00 0.00 C ATOM 1134 CD ARG B 14 0.723 7.247 -1.558 1.00 0.00 C ATOM 1135 NE ARG B 14 1.934 7.445 -0.721 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.421 8.643 -0.522 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.524 9.006 -1.132 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.809 9.471 0.289 1.00 0.00 N ATOM 0 H ARG B 14 -1.318 3.473 -3.598 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.770 5.054 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.155 4.758 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.522 6.374 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.551 5.293 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.856 6.449 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.468 8.151 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.144 6.990 -0.950 1.00 0.00 H new ATOM 0 HE ARG B 14 2.391 6.638 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.998 8.355 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.907 9.939 -0.980 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.954 9.181 0.764 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.188 10.405 0.445 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.274 6.208 -3.066 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.411 7.190 -2.942 1.00 0.00 C ATOM 1154 C GLU B 15 -5.253 6.822 -1.703 1.00 0.00 C ATOM 1155 O GLU B 15 -5.624 7.683 -0.928 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.225 7.080 -4.231 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.478 7.774 -5.380 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.353 7.796 -6.638 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.340 8.520 -6.645 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.020 7.095 -7.577 1.00 0.00 O ATOM 0 H GLU B 15 -3.308 5.600 -3.884 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.065 8.216 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.395 6.032 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.205 7.538 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.216 8.792 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.544 7.251 -5.586 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.485 5.531 -1.482 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.224 5.058 -0.254 1.00 0.00 C ATOM 1169 C ILE B 16 -5.374 5.384 1.009 1.00 0.00 C ATOM 1170 O ILE B 16 -5.906 5.611 2.080 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.412 3.528 -0.452 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.453 3.281 -1.559 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.907 2.866 0.839 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.356 1.843 -2.082 1.00 0.00 C ATOM 0 H ILE B 16 -5.189 4.783 -2.110 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.189 5.545 -0.117 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.449 3.098 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.455 3.465 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.294 3.983 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.031 1.796 0.675 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.179 3.029 1.634 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.863 3.302 1.128 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.100 1.689 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.360 1.671 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.539 1.145 -1.265 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.058 5.421 0.861 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.121 5.745 1.998 1.00 0.00 C ATOM 1188 C VAL B 17 -3.231 7.223 2.414 1.00 0.00 C ATOM 1189 O VAL B 17 -3.076 7.538 3.581 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.692 5.451 1.452 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.605 6.183 2.255 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.411 3.961 1.516 1.00 0.00 C ATOM 0 H VAL B 17 -3.586 5.235 -0.024 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.359 5.155 2.883 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.664 5.807 0.422 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.375 5.949 1.839 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.775 7.258 2.201 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.643 5.862 3.296 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.410 3.763 1.133 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.477 3.622 2.550 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.144 3.426 0.911 1.00 0.00 H new ATOM 1202 N THR B 18 -3.425 8.136 1.476 1.00 0.00 N ATOM 1203 CA THR B 18 -3.454 9.584 1.861 1.00 0.00 C ATOM 1204 C THR B 18 -4.582 10.407 1.193 1.00 0.00 C ATOM 1205 O THR B 18 -4.390 11.591 0.950 1.00 0.00 O ATOM 1206 CB THR B 18 -2.044 10.101 1.473 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.832 11.400 2.020 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.870 10.146 -0.057 1.00 0.00 C ATOM 0 H THR B 18 -3.561 7.941 0.484 1.00 0.00 H new ATOM 0 HA THR B 18 -3.680 9.698 2.921 1.00 0.00 H new ATOM 0 HB THR B 18 -1.307 9.410 1.882 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.610 11.965 1.832 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.872 10.512 -0.299 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.998 9.144 -0.467 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.616 10.813 -0.489 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.766 9.849 0.927 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.850 10.722 0.330 1.00 0.00 C ATOM 1218 C LEU B 19 -7.191 11.866 1.338 1.00 0.00 C ATOM 1219 O LEU B 19 -6.899 11.753 2.519 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.047 9.821 -0.027 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.463 8.919 1.133 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.972 8.996 1.278 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.059 7.470 0.836 1.00 0.00 C ATOM 0 H LEU B 19 -6.015 8.873 1.090 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.531 11.211 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.892 10.444 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.790 9.205 -0.889 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.973 9.244 2.051 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.291 8.358 2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.266 10.026 1.481 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.444 8.659 0.355 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.358 6.831 1.667 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.553 7.134 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.978 7.413 0.706 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.686 12.975 0.813 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.926 14.219 1.634 1.00 0.00 C ATOM 1237 C PRO B 20 -8.864 14.099 2.858 1.00 0.00 C ATOM 1238 O PRO B 20 -8.758 14.922 3.753 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.480 15.215 0.609 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.035 14.363 -0.480 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.105 13.187 -0.583 1.00 0.00 C ATOM 0 HA PRO B 20 -6.994 14.509 2.119 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.250 15.849 1.048 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.698 15.876 0.236 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.050 14.041 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.081 14.910 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.607 12.310 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.255 13.400 -1.232 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.774 13.147 2.929 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.693 13.093 4.135 1.00 0.00 C ATOM 1251 C ASN B 21 -10.689 11.732 4.861 1.00 0.00 C ATOM 1252 O ASN B 21 -11.604 11.456 5.623 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.099 13.362 3.588 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.250 14.780 3.021 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.477 15.671 3.314 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.249 15.028 2.222 1.00 0.00 N ATOM 0 H ASN B 21 -9.923 12.421 2.228 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.358 13.821 4.874 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.326 12.636 2.807 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.829 13.213 4.384 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.380 15.967 1.845 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.900 14.283 1.973 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.704 10.880 4.656 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.716 9.558 5.370 1.00 0.00 C ATOM 1265 C LEU B 22 -8.821 9.580 6.608 1.00 0.00 C ATOM 1266 O LEU B 22 -7.889 10.361 6.717 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.188 8.522 4.390 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.777 7.139 4.702 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.039 6.905 3.865 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.736 6.065 4.375 1.00 0.00 C ATOM 0 H LEU B 22 -8.908 11.039 4.038 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.728 9.329 5.703 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.445 8.812 3.371 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.100 8.482 4.445 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.040 7.088 5.758 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.450 5.921 4.093 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.779 7.670 4.100 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.788 6.956 2.806 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.148 5.080 4.594 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.474 6.122 3.318 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.843 6.228 4.979 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.097 8.685 7.517 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.275 8.565 8.774 1.00 0.00 C ATOM 1284 C ASN B 23 -7.336 7.341 8.686 1.00 0.00 C ATOM 1285 O ASN B 23 -7.553 6.437 7.895 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.273 8.464 9.951 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.162 7.208 9.862 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.233 6.562 8.842 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.858 6.841 10.902 1.00 0.00 N ATOM 0 H ASN B 23 -9.866 8.019 7.449 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.627 9.429 8.919 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.722 8.449 10.891 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.904 9.352 9.966 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.455 6.016 10.851 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.805 7.379 11.767 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.268 7.340 9.467 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.247 6.225 9.422 1.00 0.00 C ATOM 1298 C ASP B 24 -5.798 4.779 9.631 1.00 0.00 C ATOM 1299 O ASP B 24 -5.270 3.879 9.002 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.150 6.580 10.457 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.687 6.576 11.895 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.210 7.596 12.315 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.557 5.555 12.553 1.00 0.00 O ATOM 0 H ASP B 24 -6.058 8.075 10.143 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.856 6.176 8.406 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.331 5.866 10.375 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.740 7.563 10.227 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.800 4.555 10.487 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.298 3.157 10.688 1.00 0.00 C ATOM 1310 C PRO B 25 -8.082 2.634 9.465 1.00 0.00 C ATOM 1311 O PRO B 25 -7.973 1.463 9.131 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.205 3.263 11.912 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.652 4.687 11.941 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.551 5.512 11.327 1.00 0.00 C ATOM 0 HA PRO B 25 -6.479 2.450 10.821 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.054 2.584 11.833 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.669 2.999 12.824 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.581 4.810 11.384 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.848 5.008 12.964 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.953 6.332 10.732 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.913 5.956 12.092 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.867 3.472 8.792 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.640 2.976 7.600 1.00 0.00 C ATOM 1324 C GLN B 26 -8.686 2.639 6.453 1.00 0.00 C ATOM 1325 O GLN B 26 -8.771 1.560 5.910 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.638 4.076 7.220 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.732 4.143 8.303 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.919 4.987 7.826 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.056 4.598 8.001 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.714 6.132 7.238 1.00 0.00 N ATOM 0 H GLN B 26 -8.999 4.458 9.018 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.180 2.057 7.828 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.129 5.036 7.137 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.081 3.865 6.247 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.071 3.136 8.547 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.320 4.571 9.217 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.762 6.465 7.088 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.506 6.695 6.928 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.749 3.522 6.118 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.752 3.197 5.023 1.00 0.00 C ATOM 1341 C LYS B 27 -5.971 1.937 5.379 1.00 0.00 C ATOM 1342 O LYS B 27 -5.651 1.151 4.517 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.764 4.364 4.864 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.275 4.948 6.200 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.627 6.312 5.938 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.700 7.350 5.561 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.267 8.629 6.199 1.00 0.00 N ATOM 0 H LYS B 27 -7.634 4.439 6.550 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.295 3.036 4.092 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.902 4.023 4.290 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.240 5.155 4.285 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.110 5.054 6.893 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.557 4.273 6.666 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.088 6.642 6.826 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.896 6.226 5.134 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.777 7.459 4.479 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.683 7.046 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.070 9.290 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.934 8.439 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.495 9.050 5.644 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.673 1.747 6.645 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.928 0.524 7.085 1.00 0.00 C ATOM 1363 C LYS B 28 -5.713 -0.728 6.661 1.00 0.00 C ATOM 1364 O LYS B 28 -5.235 -1.515 5.875 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.855 0.618 8.621 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.411 0.809 9.059 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.761 -0.559 9.244 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.271 -0.480 8.891 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.616 -1.603 9.630 1.00 0.00 N ATOM 0 H LYS B 28 -5.916 2.392 7.396 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.934 0.459 6.643 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.464 1.451 8.973 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.264 -0.288 9.069 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.865 1.387 8.313 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.372 1.373 9.991 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.882 -0.893 10.275 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.255 -1.295 8.610 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.118 -0.578 7.816 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.850 0.481 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.368 -1.348 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.131 -1.783 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.629 -2.460 9.041 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.939 -0.886 7.141 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.779 -2.068 6.724 1.00 0.00 C ATOM 1385 C ALA B 29 -8.025 -2.026 5.200 1.00 0.00 C ATOM 1386 O ALA B 29 -8.118 -3.054 4.553 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.101 -1.924 7.486 1.00 0.00 C ATOM 0 H ALA B 29 -7.389 -0.250 7.799 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.291 -3.017 6.948 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.761 -2.753 7.229 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.906 -1.934 8.558 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.578 -0.982 7.213 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.110 -0.832 4.637 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.328 -0.658 3.159 1.00 0.00 C ATOM 1395 C PHE B 30 -7.159 -1.232 2.365 1.00 0.00 C ATOM 1396 O PHE B 30 -7.344 -2.039 1.481 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.372 0.861 2.942 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.680 1.270 2.351 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.925 1.033 1.004 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.642 1.895 3.148 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.139 1.417 0.447 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.857 2.282 2.589 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.107 2.043 1.240 1.00 0.00 C ATOM 0 H PHE B 30 -8.035 0.044 5.154 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.233 -1.168 2.830 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.220 1.374 3.892 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.559 1.163 2.282 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.175 0.553 0.393 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.444 2.077 4.194 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.335 1.232 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.604 2.767 3.200 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.050 2.341 0.805 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.962 -0.811 2.682 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.754 -1.321 1.973 1.00 0.00 C ATOM 1415 C ILE B 31 -4.613 -2.817 2.237 1.00 0.00 C ATOM 1416 O ILE B 31 -4.293 -3.574 1.350 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.576 -0.554 2.584 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.511 0.851 1.946 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.250 -1.324 2.375 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.076 1.270 1.728 1.00 0.00 C ATOM 0 H ILE B 31 -5.769 -0.126 3.413 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.806 -1.179 0.894 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.724 -0.454 3.659 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.044 0.849 0.995 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.012 1.573 2.591 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.428 -0.760 2.817 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.318 -2.301 2.853 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.069 -1.453 1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.051 2.262 1.278 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.554 1.292 2.685 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.586 0.558 1.064 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.845 -3.233 3.464 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.729 -4.677 3.798 1.00 0.00 C ATOM 1434 C PHE B 32 -5.779 -5.473 2.975 1.00 0.00 C ATOM 1435 O PHE B 32 -5.485 -6.562 2.520 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.896 -4.768 5.332 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.554 -4.445 6.021 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.910 -3.177 5.844 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.918 -5.421 6.840 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.700 -2.928 6.467 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.702 -5.133 7.436 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.104 -3.905 7.255 1.00 0.00 C ATOM 0 H PHE B 32 -5.109 -2.629 4.242 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.770 -5.122 3.533 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.664 -4.071 5.666 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.229 -5.767 5.613 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.368 -2.418 5.226 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.383 -6.383 6.996 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.217 -1.970 6.340 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.217 -5.878 8.049 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.158 -3.699 7.733 1.00 0.00 H new ATOM 1452 N SER B 33 -6.961 -4.912 2.687 1.00 0.00 N ATOM 1453 CA SER B 33 -7.931 -5.650 1.792 1.00 0.00 C ATOM 1454 C SER B 33 -7.474 -5.477 0.319 1.00 0.00 C ATOM 1455 O SER B 33 -7.580 -6.391 -0.480 1.00 0.00 O ATOM 1456 CB SER B 33 -9.325 -5.041 2.041 1.00 0.00 C ATOM 1457 OG SER B 33 -9.393 -3.723 1.523 1.00 0.00 O ATOM 0 H SER B 33 -7.279 -4.004 3.026 1.00 0.00 H new ATOM 0 HA SER B 33 -7.965 -6.719 2.002 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.088 -5.662 1.572 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.537 -5.029 3.110 1.00 0.00 H new ATOM 0 HG SER B 33 -8.596 -3.223 1.796 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.913 -4.312 -0.012 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.366 -4.036 -1.395 1.00 0.00 C ATOM 1465 C LEU B 34 -5.226 -5.027 -1.700 1.00 0.00 C ATOM 1466 O LEU B 34 -5.133 -5.560 -2.792 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.855 -2.574 -1.309 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.053 -2.157 -2.538 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.990 -1.871 -3.715 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.256 -0.889 -2.216 1.00 0.00 C ATOM 0 H LEU B 34 -6.813 -3.531 0.637 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.098 -4.157 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.705 -1.903 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.234 -2.462 -0.420 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.377 -2.968 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.403 -1.575 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.561 -2.769 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.674 -1.066 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.682 -0.588 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.942 -0.088 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.576 -1.087 -1.387 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.383 -5.286 -0.719 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.255 -6.254 -0.888 1.00 0.00 C ATOM 1484 C TRP B 35 -3.787 -7.687 -1.065 1.00 0.00 C ATOM 1485 O TRP B 35 -3.298 -8.435 -1.890 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.455 -6.180 0.407 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.226 -6.995 0.230 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.980 -8.179 0.823 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.094 -6.726 -0.629 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.242 -8.642 0.399 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.833 -7.773 -0.491 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.216 -5.673 -1.496 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.030 -7.772 -1.188 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.419 -5.668 -2.199 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.322 -6.710 -2.043 1.00 0.00 C ATOM 0 H TRP B 35 -4.435 -4.857 0.205 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.659 -6.010 -1.767 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.198 -5.146 0.638 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.045 -6.556 1.243 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.636 -8.682 1.518 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.660 -9.521 0.705 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.482 -4.858 -1.621 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.730 -8.586 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.649 -4.851 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.255 -6.698 -2.586 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.776 -8.069 -0.271 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.342 -9.450 -0.356 1.00 0.00 C ATOM 1508 C ASP B 36 -6.025 -9.657 -1.706 1.00 0.00 C ATOM 1509 O ASP B 36 -5.853 -10.689 -2.333 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.361 -9.553 0.790 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.575 -11.025 1.158 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.425 -11.653 0.549 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.884 -11.499 2.045 1.00 0.00 O ATOM 0 H ASP B 36 -5.211 -7.472 0.433 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.568 -10.213 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.004 -8.999 1.658 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.307 -9.101 0.491 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.790 -8.681 -2.163 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.478 -8.824 -3.473 1.00 0.00 C ATOM 1520 C ASP B 37 -7.370 -7.526 -4.296 1.00 0.00 C ATOM 1521 O ASP B 37 -8.296 -6.726 -4.303 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.961 -9.154 -3.166 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.080 -10.264 -2.107 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.842 -11.411 -2.445 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.409 -9.938 -0.978 1.00 0.00 O ATOM 0 H ASP B 37 -6.959 -7.800 -1.678 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.017 -9.614 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.470 -8.257 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.463 -9.467 -4.082 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.255 -7.357 -5.006 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.090 -6.154 -5.869 1.00 0.00 C ATOM 1532 C PRO B 38 -7.043 -6.197 -7.088 1.00 0.00 C ATOM 1533 O PRO B 38 -7.110 -5.241 -7.838 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.641 -6.196 -6.298 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.259 -7.637 -6.204 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.067 -8.227 -5.073 1.00 0.00 C ATOM 0 HA PRO B 38 -6.338 -5.232 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.518 -5.819 -7.313 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.018 -5.578 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.468 -8.155 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.191 -7.743 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.340 -9.263 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.511 -8.219 -4.136 1.00 0.00 H new ATOM 1544 N SER B 39 -7.818 -7.262 -7.267 1.00 0.00 N ATOM 1545 CA SER B 39 -8.814 -7.292 -8.394 1.00 0.00 C ATOM 1546 C SER B 39 -9.825 -6.157 -8.133 1.00 0.00 C ATOM 1547 O SER B 39 -10.265 -5.480 -9.045 1.00 0.00 O ATOM 1548 CB SER B 39 -9.494 -8.665 -8.318 1.00 0.00 C ATOM 1549 OG SER B 39 -9.665 -9.184 -9.631 1.00 0.00 O ATOM 0 H SER B 39 -7.799 -8.099 -6.684 1.00 0.00 H new ATOM 0 HA SER B 39 -8.370 -7.150 -9.379 1.00 0.00 H new ATOM 0 HB2 SER B 39 -8.890 -9.349 -7.721 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.460 -8.577 -7.822 1.00 0.00 H new ATOM 0 HG SER B 39 -10.098 -10.062 -9.582 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.132 -5.918 -6.860 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.046 -4.791 -6.465 1.00 0.00 C ATOM 1557 C GLN B 40 -10.215 -3.512 -6.185 1.00 0.00 C ATOM 1558 O GLN B 40 -10.733 -2.573 -5.631 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.740 -5.199 -5.139 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.126 -6.686 -5.092 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.984 -7.078 -6.306 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -13.880 -6.357 -6.701 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.747 -8.210 -6.913 1.00 0.00 N ATOM 0 H GLN B 40 -9.779 -6.468 -6.077 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.764 -4.597 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.075 -4.976 -4.305 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.636 -4.593 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.224 -7.298 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.675 -6.893 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.996 -8.817 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.313 -8.487 -7.715 1.00 0.00 H new ATOM 1572 N SER B 41 -8.931 -3.486 -6.529 1.00 0.00 N ATOM 1573 CA SER B 41 -8.055 -2.287 -6.253 1.00 0.00 C ATOM 1574 C SER B 41 -8.648 -1.004 -6.853 1.00 0.00 C ATOM 1575 O SER B 41 -8.664 0.028 -6.204 1.00 0.00 O ATOM 1576 CB SER B 41 -6.725 -2.627 -6.903 1.00 0.00 C ATOM 1577 OG SER B 41 -5.802 -1.564 -6.729 1.00 0.00 O ATOM 0 H SER B 41 -8.452 -4.257 -6.995 1.00 0.00 H new ATOM 0 HA SER B 41 -7.958 -2.093 -5.185 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.323 -3.541 -6.466 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.871 -2.819 -7.966 1.00 0.00 H new ATOM 0 HG SER B 41 -5.785 -1.010 -7.537 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.171 -1.074 -8.068 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.816 0.133 -8.695 1.00 0.00 C ATOM 1585 C ALA B 42 -11.005 0.553 -7.822 1.00 0.00 C ATOM 1586 O ALA B 42 -11.155 1.709 -7.462 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.317 -0.341 -10.063 1.00 0.00 C ATOM 0 H ALA B 42 -9.177 -1.914 -8.647 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.135 0.979 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.800 0.488 -10.580 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.474 -0.697 -10.656 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.033 -1.151 -9.927 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.822 -0.417 -7.453 1.00 0.00 N ATOM 1594 CA ASN B 43 -12.994 -0.168 -6.569 1.00 0.00 C ATOM 1595 C ASN B 43 -12.537 0.248 -5.154 1.00 0.00 C ATOM 1596 O ASN B 43 -13.219 1.004 -4.496 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.747 -1.504 -6.529 1.00 0.00 C ATOM 1598 CG ASN B 43 -14.548 -1.690 -7.823 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.553 -1.037 -8.028 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -14.144 -2.557 -8.713 1.00 0.00 N ATOM 0 H ASN B 43 -11.713 -1.390 -7.740 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.620 0.645 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.041 -2.326 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.417 -1.528 -5.670 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -14.671 -2.685 -9.577 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -13.301 -3.106 -8.544 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.385 -0.234 -4.693 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.873 0.139 -3.327 1.00 0.00 C ATOM 1609 C LEU B 44 -10.505 1.616 -3.302 1.00 0.00 C ATOM 1610 O LEU B 44 -10.917 2.354 -2.435 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.636 -0.737 -3.111 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.016 -1.933 -2.247 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.320 -3.197 -2.769 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.592 -1.633 -0.803 1.00 0.00 C ATOM 0 H LEU B 44 -10.782 -0.871 -5.213 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.614 -0.018 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.243 -1.076 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.847 -0.160 -2.629 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.092 -2.105 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.596 -4.048 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.629 -3.384 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.239 -3.058 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.854 -2.476 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.515 -1.471 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.106 -0.738 -0.451 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.762 2.038 -4.285 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.371 3.474 -4.415 1.00 0.00 C ATOM 1628 C LEU B 45 -10.640 4.335 -4.427 1.00 0.00 C ATOM 1629 O LEU B 45 -10.746 5.301 -3.694 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.628 3.564 -5.761 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.414 5.029 -6.174 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.905 5.844 -4.984 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.392 5.086 -7.309 1.00 0.00 C ATOM 0 H LEU B 45 -9.399 1.435 -5.023 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.745 3.826 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.665 3.060 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.199 3.045 -6.531 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.362 5.450 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.757 6.880 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.636 5.804 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.958 5.429 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.236 6.123 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.448 4.660 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.762 4.516 -8.161 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.613 3.952 -5.226 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.903 4.704 -5.268 1.00 0.00 C ATOM 1647 C ALA B 46 -13.573 4.632 -3.886 1.00 0.00 C ATOM 1648 O ALA B 46 -14.038 5.628 -3.370 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.750 3.974 -6.306 1.00 0.00 C ATOM 0 H ALA B 46 -11.564 3.147 -5.851 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.773 5.756 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.718 4.466 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.241 3.993 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.897 2.940 -5.994 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.578 3.451 -3.282 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.165 3.264 -1.914 1.00 0.00 C ATOM 1657 C GLU B 47 -13.445 4.180 -0.906 1.00 0.00 C ATOM 1658 O GLU B 47 -14.048 4.668 0.029 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.922 1.783 -1.562 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.873 1.351 -0.431 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.332 1.330 -0.924 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.590 0.752 -1.972 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.167 1.907 -0.246 1.00 0.00 O ATOM 0 H GLU B 47 -13.192 2.601 -3.693 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.225 3.516 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.082 1.160 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.887 1.639 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.592 0.362 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.779 2.036 0.412 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.157 4.419 -1.115 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.368 5.315 -0.203 1.00 0.00 C ATOM 1672 C ALA B 48 -11.934 6.740 -0.293 1.00 0.00 C ATOM 1673 O ALA B 48 -12.337 7.307 0.705 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.913 5.252 -0.718 1.00 0.00 C ATOM 0 H ALA B 48 -11.621 4.024 -1.888 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.418 5.011 0.842 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.279 5.885 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.555 4.223 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.877 5.603 -1.749 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.004 7.297 -1.494 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.586 8.672 -1.681 1.00 0.00 C ATOM 1682 C LYS B 49 -14.063 8.691 -1.254 1.00 0.00 C ATOM 1683 O LYS B 49 -14.493 9.589 -0.567 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.454 8.964 -3.181 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.023 9.442 -3.486 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.198 8.326 -4.145 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.690 8.060 -5.579 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.635 8.619 -6.479 1.00 0.00 N ATOM 0 H LYS B 49 -11.680 6.852 -2.353 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.073 9.419 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.680 8.068 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.175 9.726 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.058 10.310 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.538 9.761 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.145 8.607 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.274 7.413 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.829 6.993 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.652 8.540 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -10.080 9.017 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.113 9.367 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.977 7.862 -6.754 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.831 7.688 -1.635 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.285 7.631 -1.222 1.00 0.00 C ATOM 1704 C LYS B 50 -16.398 7.645 0.316 1.00 0.00 C ATOM 1705 O LYS B 50 -17.220 8.353 0.872 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.828 6.314 -1.796 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.986 6.442 -3.318 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.148 5.050 -3.946 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.541 4.480 -3.626 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.301 3.297 -2.747 1.00 0.00 N ATOM 0 H LYS B 50 -14.518 6.908 -2.212 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.849 8.487 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.149 5.495 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.788 6.075 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.854 7.059 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.115 6.943 -3.742 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.012 5.112 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.377 4.380 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.162 5.222 -3.123 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.065 4.191 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.211 2.863 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.715 2.602 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.809 3.601 -1.883 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.547 6.897 0.996 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.552 6.881 2.499 1.00 0.00 C ATOM 1726 C LEU B 51 -15.047 8.232 3.049 1.00 0.00 C ATOM 1727 O LEU B 51 -15.549 8.713 4.052 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.626 5.712 2.890 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.468 5.611 4.420 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.840 5.619 5.112 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.747 4.302 4.752 1.00 0.00 C ATOM 0 H LEU B 51 -14.845 6.294 0.567 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.549 6.744 2.917 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.032 4.778 2.502 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.648 5.850 2.429 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.895 6.468 4.775 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.704 5.547 6.191 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.362 6.545 4.873 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.428 4.770 4.763 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.628 4.216 5.832 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.333 3.460 4.384 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.766 4.296 4.277 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.079 8.853 2.387 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.557 10.191 2.841 1.00 0.00 C ATOM 1745 C ASN B 52 -14.712 11.212 2.909 1.00 0.00 C ATOM 1746 O ASN B 52 -14.704 12.102 3.737 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.455 10.564 1.793 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.815 11.706 0.791 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.939 11.929 0.419 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.861 12.432 0.298 1.00 0.00 N ATOM 0 H ASN B 52 -13.630 8.484 1.549 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.133 10.178 3.845 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.553 10.853 2.332 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.211 9.670 1.220 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.075 13.163 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.896 12.273 0.589 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.696 11.081 2.028 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.842 12.037 2.008 1.00 0.00 C ATOM 1759 C ASP B 53 -17.711 11.894 3.269 1.00 0.00 C ATOM 1760 O ASP B 53 -18.273 12.863 3.749 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.671 11.683 0.760 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.293 12.952 0.134 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.637 13.874 0.866 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -18.425 12.976 -1.077 1.00 0.00 O ATOM 0 H ASP B 53 -15.742 10.345 1.324 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.483 13.066 1.984 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.037 11.184 0.027 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.460 10.981 1.030 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.825 10.686 3.803 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.660 10.461 5.031 1.00 0.00 C ATOM 1771 C ALA B 54 -18.066 11.207 6.240 1.00 0.00 C ATOM 1772 O ALA B 54 -18.792 11.719 7.075 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.628 8.947 5.251 1.00 0.00 C ATOM 0 H ALA B 54 -17.372 9.849 3.435 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.677 10.836 4.913 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.217 8.695 6.133 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.047 8.444 4.379 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.598 8.622 5.397 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.753 11.281 6.319 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.076 12.003 7.446 1.00 0.00 C ATOM 1781 C GLN B 55 -15.963 13.505 7.127 1.00 0.00 C ATOM 1782 O GLN B 55 -16.089 14.340 8.006 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.694 11.349 7.529 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.826 9.933 8.102 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.501 9.202 7.931 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.938 8.695 8.882 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.969 9.135 6.745 1.00 0.00 N ATOM 0 H GLN B 55 -16.116 10.865 5.640 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.622 11.933 8.387 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.239 11.310 6.539 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.035 11.947 8.159 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.098 9.978 9.157 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.623 9.393 7.590 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.443 9.561 5.949 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.078 8.656 6.612 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.714 13.843 5.873 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.570 15.277 5.462 1.00 0.00 C ATOM 1798 C ALA B 56 -16.056 15.472 4.012 1.00 0.00 C ATOM 1799 O ALA B 56 -15.987 14.554 3.230 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.070 15.530 5.547 1.00 0.00 C ATOM 0 H ALA B 56 -15.604 13.172 5.112 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.155 15.954 6.085 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.858 16.561 5.263 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.729 15.357 6.568 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.548 14.853 4.871 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.517 16.667 3.688 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.002 16.944 2.303 1.00 0.00 C ATOM 1808 C PRO B 57 -15.822 16.984 1.315 1.00 0.00 C ATOM 1809 O PRO B 57 -14.754 17.488 1.635 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.666 18.313 2.419 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.003 18.958 3.589 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.625 17.856 4.545 1.00 0.00 C ATOM 0 HA PRO B 57 -17.682 16.179 1.928 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.525 18.900 1.511 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.741 18.220 2.575 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.120 19.514 3.274 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.674 19.671 4.068 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.684 18.071 5.051 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.380 17.723 5.320 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.014 16.465 0.123 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.908 16.469 -0.905 1.00 0.00 C ATOM 1822 C LYS B 58 -14.668 17.895 -1.436 1.00 0.00 C ATOM 1823 O LYS B 58 -15.624 18.535 -1.852 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.371 15.543 -2.043 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.298 14.075 -1.600 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.638 13.172 -2.792 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.674 11.701 -2.346 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.929 11.136 -2.926 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.527 18.324 -1.409 1.00 0.00 O ATOM 0 H LYS B 58 -16.887 16.038 -0.187 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.968 16.125 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.392 15.792 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.745 15.696 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.300 13.844 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.994 13.895 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.603 13.457 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.897 13.303 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.798 11.161 -2.706 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.674 11.621 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.859 10.099 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.739 11.409 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.064 11.506 -3.889 1.00 0.00 H new TER 1843 LYS B 58