USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN : amide:sc= -2.47! C(o=-9.5!,f=-11!) USER MOD Set 1.2: B 52 ASN : amide:sc= -7.01! C(o=-9.5!,f=-16!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 143:sc= 0.236 (180deg=-0.0209) USER MOD Set 2.2: A 11 ASN : amide:sc= 0.224 K(o=0.71,f=-0.26) USER MOD Set 2.3: B 28 LYS NZ :NH3+ -170:sc= 0.246 (180deg=0.124) USER MOD Set 3.1: B 23 ASN : amide:sc= -1.88 K(o=-7.7,f=-20!) USER MOD Set 3.2: B 26 GLN : amide:sc= -4.67! C(o=-7.7!,f=-9.7!) USER MOD Set 3.3: B 55 GLN : amide:sc= -1.14 K(o=-7.7,f=-9.2) USER MOD Set 4.1: A 28 ASN : amide:sc= -2.67! C(o=-3!,f=-9.8!) USER MOD Set 4.2: A 32 GLN : amide:sc= -0.372 K(o=-3,f=-3.7) USER MOD Set 4.3: B 7 LYS NZ :NH3+ -157:sc= 0.0365 (180deg=-0.0857) USER MOD Set 5.1: A 26 GLN : amide:sc= -0.124 K(o=-0.43,f=-0.97) USER MOD Set 5.2: A 55 GLN : amide:sc= -0.31 K(o=-0.43,f=-4.2!) USER MOD Set 6.1: A 14 TYR OH : rot -77:sc= 0.0847 USER MOD Set 6.2: A 18 HIS :FLIP no HE2:sc= -21.4! C(o=-24!,f=-21!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0148 (180deg=-0.438) USER MOD Single : A 3 ASN : amide:sc= 0.21 K(o=0.21,f=-2.7!) USER MOD Single : A 4 LYS NZ :NH3+ 149:sc= 0.128 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.517 K(o=0.52,f=-2.9!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.211 F(o=-0.99,f=-0.21) USER MOD Single : A 10 GLN : amide:sc= -1.34 K(o=-1.3,f=-5) USER MOD Single : A 21 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.8!) USER MOD Single : A 23 ASN : amide:sc= -0.426 K(o=-0.43,f=-9.8!) USER MOD Single : A 33 SER OG : rot 10:sc= 0.732 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0.384 (180deg=0.225) USER MOD Single : A 39 SER OG : rot -19:sc= 0.168 USER MOD Single : A 40 GLN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 41 SER OG : rot -97:sc= 0.404 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.935 K(o=-0.94,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 137:sc= -0.732 (180deg=-1.08) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -4.45! C(o=-4.4!,f=-10!) USER MOD Single : B 10 SER OG : rot -79:sc= -0.432! USER MOD Single : B 18 THR OG1 : rot -54:sc= 0.477 USER MOD Single : B 27 LYS NZ :NH3+ -161:sc= 0.448 (180deg=0.191) USER MOD Single : B 33 SER OG : rot -37:sc= 0.122 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.408 F(o=-1,f=-0.41) USER MOD Single : B 41 SER OG : rot -146:sc= 0.69 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -145:sc= -0.0637 (180deg=-0.551) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc=-0.00353 (180deg=-0.00353) USER MOD Single : B 58 LYS NZ :NH3+ -178:sc= -0.353 (180deg=-0.361) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.951 -14.664 10.639 1.00 0.00 N ATOM 2 CA VAL A 1 -2.134 -15.436 11.918 1.00 0.00 C ATOM 3 C VAL A 1 -1.251 -16.700 11.898 1.00 0.00 C ATOM 4 O VAL A 1 -0.395 -16.867 12.748 1.00 0.00 O ATOM 5 CB VAL A 1 -3.639 -15.797 11.987 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.896 -16.802 13.121 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.466 -14.532 12.255 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.243 -13.677 10.785 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.950 -14.691 10.358 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.533 -15.090 9.890 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.837 -14.858 12.793 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.930 -16.240 11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.958 -17.046 13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.321 -17.710 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.592 -16.364 14.072 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.523 -14.792 12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.158 -14.090 13.203 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -4.305 -13.815 11.450 1.00 0.00 H new ATOM 19 N ASP A 2 -1.456 -17.579 10.930 1.00 0.00 N ATOM 20 CA ASP A 2 -0.630 -18.840 10.838 1.00 0.00 C ATOM 21 C ASP A 2 0.855 -18.503 10.601 1.00 0.00 C ATOM 22 O ASP A 2 1.731 -19.123 11.177 1.00 0.00 O ATOM 23 CB ASP A 2 -1.199 -19.626 9.641 1.00 0.00 C ATOM 24 CG ASP A 2 -2.639 -20.063 9.936 1.00 0.00 C ATOM 25 OD1 ASP A 2 -2.809 -21.046 10.641 1.00 0.00 O ATOM 26 OD2 ASP A 2 -3.548 -19.404 9.456 1.00 0.00 O ATOM 0 H ASP A 2 -2.161 -17.476 10.200 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.680 -19.417 11.761 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.175 -19.007 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.579 -20.500 9.442 1.00 0.00 H new ATOM 31 N ASN A 3 1.132 -17.519 9.764 1.00 0.00 N ATOM 32 CA ASN A 3 2.549 -17.118 9.482 1.00 0.00 C ATOM 33 C ASN A 3 2.680 -15.583 9.468 1.00 0.00 C ATOM 34 O ASN A 3 1.735 -14.872 9.161 1.00 0.00 O ATOM 35 CB ASN A 3 2.859 -17.699 8.095 1.00 0.00 C ATOM 36 CG ASN A 3 4.351 -17.530 7.779 1.00 0.00 C ATOM 37 OD1 ASN A 3 4.725 -16.650 7.031 1.00 0.00 O ATOM 38 ND2 ASN A 3 5.225 -18.332 8.324 1.00 0.00 N ATOM 0 H ASN A 3 0.428 -16.976 9.263 1.00 0.00 H new ATOM 0 HA ASN A 3 3.239 -17.486 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.589 -18.755 8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.259 -17.195 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.218 -18.218 8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.915 -19.073 8.953 1.00 0.00 H new ATOM 45 N LYS A 4 3.853 -15.080 9.792 1.00 0.00 N ATOM 46 CA LYS A 4 4.089 -13.586 9.798 1.00 0.00 C ATOM 47 C LYS A 4 3.862 -12.967 8.406 1.00 0.00 C ATOM 48 O LYS A 4 3.332 -11.878 8.304 1.00 0.00 O ATOM 49 CB LYS A 4 5.557 -13.373 10.247 1.00 0.00 C ATOM 50 CG LYS A 4 6.544 -14.121 9.328 1.00 0.00 C ATOM 51 CD LYS A 4 7.959 -14.030 9.908 1.00 0.00 C ATOM 52 CE LYS A 4 8.922 -14.864 9.051 1.00 0.00 C ATOM 53 NZ LYS A 4 10.111 -13.990 8.813 1.00 0.00 N ATOM 0 H LYS A 4 4.664 -15.640 10.055 1.00 0.00 H new ATOM 0 HA LYS A 4 3.386 -13.097 10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.789 -12.308 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.679 -13.721 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.246 -15.165 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.522 -13.690 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.286 -12.991 9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.965 -14.392 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.207 -15.782 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.456 -15.156 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.963 -14.579 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.974 -13.449 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.224 -13.332 9.611 1.00 0.00 H new ATOM 67 N PHE A 5 4.260 -13.649 7.345 1.00 0.00 N ATOM 68 CA PHE A 5 4.089 -13.099 5.956 1.00 0.00 C ATOM 69 C PHE A 5 2.616 -12.820 5.611 1.00 0.00 C ATOM 70 O PHE A 5 2.349 -11.977 4.775 1.00 0.00 O ATOM 71 CB PHE A 5 4.693 -14.143 4.996 1.00 0.00 C ATOM 72 CG PHE A 5 6.193 -14.297 5.232 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.959 -13.246 5.777 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.820 -15.503 4.897 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.329 -13.409 5.984 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.195 -15.664 5.106 1.00 0.00 C ATOM 77 CZ PHE A 5 8.948 -14.617 5.651 1.00 0.00 C ATOM 0 H PHE A 5 4.698 -14.569 7.387 1.00 0.00 H new ATOM 0 HA PHE A 5 4.594 -12.137 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.198 -15.104 5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.512 -13.842 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.483 -12.311 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.241 -16.312 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.912 -12.601 6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.675 -16.596 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.008 -14.743 5.814 1.00 0.00 H new ATOM 87 N ASN A 6 1.661 -13.500 6.242 1.00 0.00 N ATOM 88 CA ASN A 6 0.207 -13.235 5.933 1.00 0.00 C ATOM 89 C ASN A 6 -0.091 -11.729 6.052 1.00 0.00 C ATOM 90 O ASN A 6 -0.577 -11.129 5.117 1.00 0.00 O ATOM 91 CB ASN A 6 -0.612 -14.030 6.967 1.00 0.00 C ATOM 92 CG ASN A 6 -0.552 -15.534 6.655 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.149 -16.318 7.486 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.949 -15.975 5.489 1.00 0.00 N ATOM 0 H ASN A 6 1.829 -14.217 6.948 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.046 -13.540 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.224 -13.844 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.648 -13.691 6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.918 -16.974 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.289 -15.320 4.785 1.00 0.00 H new ATOM 101 N LYS A 7 0.235 -11.111 7.175 1.00 0.00 N ATOM 102 CA LYS A 7 0.015 -9.631 7.324 1.00 0.00 C ATOM 103 C LYS A 7 1.286 -8.825 6.987 1.00 0.00 C ATOM 104 O LYS A 7 1.181 -7.691 6.580 1.00 0.00 O ATOM 105 CB LYS A 7 -0.407 -9.389 8.771 1.00 0.00 C ATOM 106 CG LYS A 7 -0.447 -7.886 9.050 1.00 0.00 C ATOM 107 CD LYS A 7 -0.721 -7.657 10.524 1.00 0.00 C ATOM 108 CE LYS A 7 -0.388 -6.205 10.900 1.00 0.00 C ATOM 109 NZ LYS A 7 1.085 -6.183 11.170 1.00 0.00 N ATOM 0 H LYS A 7 0.642 -11.570 7.990 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.753 -9.296 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.388 -9.829 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.292 -9.877 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.501 -7.427 8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.222 -7.413 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.767 -7.868 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.124 -8.343 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.648 -5.522 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.952 -5.889 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.488 -5.289 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.252 -6.265 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.540 -6.980 10.680 1.00 0.00 H new ATOM 123 N GLU A 8 2.477 -9.384 7.164 1.00 0.00 N ATOM 124 CA GLU A 8 3.740 -8.618 6.852 1.00 0.00 C ATOM 125 C GLU A 8 3.699 -8.099 5.428 1.00 0.00 C ATOM 126 O GLU A 8 4.164 -7.018 5.163 1.00 0.00 O ATOM 127 CB GLU A 8 4.917 -9.587 7.016 1.00 0.00 C ATOM 128 CG GLU A 8 5.346 -9.662 8.486 1.00 0.00 C ATOM 129 CD GLU A 8 5.765 -8.271 8.994 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.710 -7.714 8.451 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.126 -7.781 9.911 1.00 0.00 O ATOM 0 H GLU A 8 2.624 -10.332 7.509 1.00 0.00 H new ATOM 0 HA GLU A 8 3.843 -7.764 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.632 -10.578 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.755 -9.258 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.525 -10.045 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.175 -10.361 8.594 1.00 0.00 H new ATOM 138 N GLN A 9 3.123 -8.852 4.520 1.00 0.00 N ATOM 139 CA GLN A 9 3.016 -8.383 3.120 1.00 0.00 C ATOM 140 C GLN A 9 2.099 -7.146 3.054 1.00 0.00 C ATOM 141 O GLN A 9 2.421 -6.195 2.384 1.00 0.00 O ATOM 142 CB GLN A 9 2.446 -9.537 2.304 1.00 0.00 C ATOM 143 CG GLN A 9 3.460 -10.682 2.203 1.00 0.00 C ATOM 144 CD GLN A 9 2.838 -11.829 1.402 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.620 -11.680 0.120 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 2.544 -12.874 1.949 1.00 0.00 N flip ATOM 0 H GLN A 9 2.724 -9.773 4.699 1.00 0.00 H new ATOM 0 HA GLN A 9 3.987 -8.089 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.528 -9.898 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.183 -9.188 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.372 -10.335 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.740 -11.026 3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.713 -12.992 2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.128 -13.633 1.409 1.00 0.00 H new ATOM 155 N GLN A 10 0.990 -7.133 3.794 1.00 0.00 N ATOM 156 CA GLN A 10 0.098 -5.903 3.808 1.00 0.00 C ATOM 157 C GLN A 10 0.729 -4.827 4.679 1.00 0.00 C ATOM 158 O GLN A 10 0.653 -3.676 4.343 1.00 0.00 O ATOM 159 CB GLN A 10 -1.327 -6.205 4.332 1.00 0.00 C ATOM 160 CG GLN A 10 -1.558 -7.627 4.851 1.00 0.00 C ATOM 161 CD GLN A 10 -1.826 -8.579 3.683 1.00 0.00 C ATOM 162 OE1 GLN A 10 -0.939 -9.290 3.256 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.015 -8.625 3.142 1.00 0.00 N ATOM 0 H GLN A 10 0.671 -7.907 4.377 1.00 0.00 H new ATOM 0 HA GLN A 10 0.005 -5.563 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.555 -5.504 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.038 -6.012 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.686 -7.964 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.403 -7.638 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.761 -8.029 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.197 -9.257 2.363 1.00 0.00 H new ATOM 172 N ASN A 11 1.365 -5.184 5.778 1.00 0.00 N ATOM 173 CA ASN A 11 2.021 -4.137 6.626 1.00 0.00 C ATOM 174 C ASN A 11 3.173 -3.526 5.823 1.00 0.00 C ATOM 175 O ASN A 11 3.323 -2.331 5.776 1.00 0.00 O ATOM 176 CB ASN A 11 2.552 -4.848 7.877 1.00 0.00 C ATOM 177 CG ASN A 11 2.757 -3.825 8.998 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.829 -3.499 9.711 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.936 -3.293 9.180 1.00 0.00 N ATOM 0 H ASN A 11 1.455 -6.142 6.117 1.00 0.00 H new ATOM 0 HA ASN A 11 1.333 -3.342 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.849 -5.618 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.493 -5.349 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.076 -2.605 9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.716 -3.566 8.582 1.00 0.00 H new ATOM 186 N ALA A 12 3.951 -4.355 5.148 1.00 0.00 N ATOM 187 CA ALA A 12 5.065 -3.839 4.293 1.00 0.00 C ATOM 188 C ALA A 12 4.470 -3.086 3.104 1.00 0.00 C ATOM 189 O ALA A 12 4.904 -2.001 2.789 1.00 0.00 O ATOM 190 CB ALA A 12 5.834 -5.065 3.803 1.00 0.00 C ATOM 0 H ALA A 12 3.855 -5.370 5.158 1.00 0.00 H new ATOM 0 HA ALA A 12 5.719 -3.160 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.663 -4.746 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.222 -5.617 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.167 -5.708 3.229 1.00 0.00 H new ATOM 196 N PHE A 13 3.443 -3.650 2.478 1.00 0.00 N ATOM 197 CA PHE A 13 2.755 -2.964 1.333 1.00 0.00 C ATOM 198 C PHE A 13 2.262 -1.604 1.828 1.00 0.00 C ATOM 199 O PHE A 13 2.614 -0.574 1.288 1.00 0.00 O ATOM 200 CB PHE A 13 1.558 -3.886 0.968 1.00 0.00 C ATOM 201 CG PHE A 13 0.601 -3.188 0.040 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.072 -2.568 -1.115 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.764 -3.203 0.318 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.178 -1.965 -1.988 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.662 -2.593 -0.553 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.191 -1.977 -1.704 1.00 0.00 C ATOM 0 H PHE A 13 3.056 -4.562 2.720 1.00 0.00 H new ATOM 0 HA PHE A 13 3.399 -2.801 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.927 -4.797 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.035 -4.186 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.130 -2.557 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.126 -3.689 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.539 -1.487 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.720 -2.599 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.885 -1.505 -2.383 1.00 0.00 H new ATOM 216 N TYR A 14 1.484 -1.628 2.884 1.00 0.00 N ATOM 217 CA TYR A 14 0.945 -0.387 3.504 1.00 0.00 C ATOM 218 C TYR A 14 2.075 0.583 3.852 1.00 0.00 C ATOM 219 O TYR A 14 2.060 1.709 3.426 1.00 0.00 O ATOM 220 CB TYR A 14 0.286 -0.864 4.781 1.00 0.00 C ATOM 221 CG TYR A 14 -0.430 0.278 5.431 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.708 0.609 5.011 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.168 0.978 6.480 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.393 1.611 5.618 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.523 2.019 7.097 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.815 2.339 6.670 1.00 0.00 C ATOM 227 OH TYR A 14 -2.523 3.364 7.280 1.00 0.00 O ATOM 0 H TYR A 14 1.195 -2.487 3.352 1.00 0.00 H new ATOM 0 HA TYR A 14 0.264 0.139 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.415 -1.669 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.036 -1.270 5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.162 0.066 4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.161 0.714 6.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.393 1.851 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.063 2.575 7.900 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.506 4.159 6.707 1.00 0.00 H new ATOM 237 N GLU A 15 3.062 0.139 4.612 1.00 0.00 N ATOM 238 CA GLU A 15 4.198 1.047 4.981 1.00 0.00 C ATOM 239 C GLU A 15 4.868 1.567 3.706 1.00 0.00 C ATOM 240 O GLU A 15 5.145 2.736 3.619 1.00 0.00 O ATOM 241 CB GLU A 15 5.165 0.217 5.835 1.00 0.00 C ATOM 242 CG GLU A 15 4.554 -0.074 7.224 1.00 0.00 C ATOM 243 CD GLU A 15 4.211 1.236 7.952 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.117 2.025 8.183 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.050 1.419 8.278 1.00 0.00 O ATOM 0 H GLU A 15 3.125 -0.807 4.988 1.00 0.00 H new ATOM 0 HA GLU A 15 3.863 1.918 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.392 -0.721 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.107 0.753 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.655 -0.680 7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.257 -0.655 7.822 1.00 0.00 H new ATOM 252 N ILE A 16 5.064 0.730 2.694 1.00 0.00 N ATOM 253 CA ILE A 16 5.650 1.234 1.393 1.00 0.00 C ATOM 254 C ILE A 16 4.775 2.390 0.860 1.00 0.00 C ATOM 255 O ILE A 16 5.279 3.444 0.511 1.00 0.00 O ATOM 256 CB ILE A 16 5.662 0.007 0.452 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.975 -0.734 0.688 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.554 0.410 -1.030 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.782 -2.227 0.470 1.00 0.00 C ATOM 0 H ILE A 16 4.846 -0.266 2.714 1.00 0.00 H new ATOM 0 HA ILE A 16 6.658 1.637 1.493 1.00 0.00 H new ATOM 0 HB ILE A 16 4.799 -0.621 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.741 -0.356 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.328 -0.550 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.566 -0.485 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.622 0.952 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.397 1.048 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.726 -2.745 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.031 -2.602 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.451 -2.406 -0.553 1.00 0.00 H new ATOM 271 N LEU A 17 3.469 2.199 0.844 1.00 0.00 N ATOM 272 CA LEU A 17 2.531 3.295 0.386 1.00 0.00 C ATOM 273 C LEU A 17 2.540 4.470 1.399 1.00 0.00 C ATOM 274 O LEU A 17 2.483 5.619 1.022 1.00 0.00 O ATOM 275 CB LEU A 17 1.119 2.678 0.339 1.00 0.00 C ATOM 276 CG LEU A 17 1.057 1.518 -0.662 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.374 0.321 -0.042 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.225 1.879 -1.863 1.00 0.00 C ATOM 0 H LEU A 17 3.010 1.333 1.127 1.00 0.00 H new ATOM 0 HA LEU A 17 2.836 3.681 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.841 2.322 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.394 3.442 0.060 1.00 0.00 H new ATOM 0 HG LEU A 17 2.087 1.300 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.338 -0.493 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.931 -0.000 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.641 0.592 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.200 1.037 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.790 2.117 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.662 2.745 -2.361 1.00 0.00 H new ATOM 290 N HIS A 18 2.598 4.179 2.685 1.00 0.00 N ATOM 291 CA HIS A 18 2.586 5.266 3.729 1.00 0.00 C ATOM 292 C HIS A 18 4.000 5.844 4.003 1.00 0.00 C ATOM 293 O HIS A 18 4.133 6.753 4.807 1.00 0.00 O ATOM 294 CB HIS A 18 1.995 4.608 4.995 1.00 0.00 C ATOM 295 CG HIS A 18 0.508 4.392 4.813 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.212 3.403 4.184 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.447 5.290 5.276 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.550 3.697 4.233 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.654 4.811 4.907 1.00 0.00 N flip ATOM 0 H HIS A 18 2.653 3.231 3.057 1.00 0.00 H new ATOM 0 HA HIS A 18 1.995 6.119 3.395 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.490 3.656 5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.176 5.241 5.864 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.190 2.574 3.746 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.259 6.200 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.356 3.123 3.801 1.00 0.00 H new ATOM 307 N LEU A 19 5.049 5.355 3.343 1.00 0.00 N ATOM 308 CA LEU A 19 6.427 5.920 3.578 1.00 0.00 C ATOM 309 C LEU A 19 6.482 7.338 2.966 1.00 0.00 C ATOM 310 O LEU A 19 6.172 7.508 1.797 1.00 0.00 O ATOM 311 CB LEU A 19 7.427 4.972 2.873 1.00 0.00 C ATOM 312 CG LEU A 19 7.927 3.877 3.845 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.837 2.891 3.098 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.713 4.506 5.004 1.00 0.00 C ATOM 0 H LEU A 19 5.003 4.598 2.661 1.00 0.00 H new ATOM 0 HA LEU A 19 6.671 5.993 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.948 4.508 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.275 5.545 2.497 1.00 0.00 H new ATOM 0 HG LEU A 19 7.060 3.350 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.185 2.123 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.279 2.424 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.694 3.426 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.057 3.722 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.572 5.048 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.068 5.196 5.549 1.00 0.00 H new ATOM 326 N PRO A 20 6.841 8.320 3.785 1.00 0.00 N ATOM 327 CA PRO A 20 6.891 9.743 3.321 1.00 0.00 C ATOM 328 C PRO A 20 7.920 10.009 2.197 1.00 0.00 C ATOM 329 O PRO A 20 7.804 11.011 1.511 1.00 0.00 O ATOM 330 CB PRO A 20 7.234 10.525 4.591 1.00 0.00 C ATOM 331 CG PRO A 20 7.906 9.532 5.478 1.00 0.00 C ATOM 332 CD PRO A 20 7.237 8.213 5.203 1.00 0.00 C ATOM 0 HA PRO A 20 5.946 10.038 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.890 11.368 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.338 10.932 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.974 9.480 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.802 9.812 6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.915 7.376 5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.374 8.057 5.851 1.00 0.00 H new ATOM 340 N ASN A 21 8.911 9.151 1.987 1.00 0.00 N ATOM 341 CA ASN A 21 9.902 9.416 0.890 1.00 0.00 C ATOM 342 C ASN A 21 9.817 8.361 -0.237 1.00 0.00 C ATOM 343 O ASN A 21 10.575 8.431 -1.192 1.00 0.00 O ATOM 344 CB ASN A 21 11.272 9.435 1.577 1.00 0.00 C ATOM 345 CG ASN A 21 11.401 10.711 2.418 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.405 11.803 1.884 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.497 10.626 3.718 1.00 0.00 N ATOM 0 H ASN A 21 9.068 8.296 2.521 1.00 0.00 H new ATOM 0 HA ASN A 21 9.702 10.362 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.386 8.555 2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.066 9.396 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.575 11.474 4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.494 9.712 4.171 1.00 0.00 H new ATOM 354 N LEU A 22 8.866 7.430 -0.181 1.00 0.00 N ATOM 355 CA LEU A 22 8.714 6.447 -1.307 1.00 0.00 C ATOM 356 C LEU A 22 7.796 7.083 -2.354 1.00 0.00 C ATOM 357 O LEU A 22 6.754 7.634 -2.024 1.00 0.00 O ATOM 358 CB LEU A 22 8.066 5.163 -0.737 1.00 0.00 C ATOM 359 CG LEU A 22 9.101 4.180 -0.124 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.666 2.746 -0.422 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.503 4.366 -0.709 1.00 0.00 C ATOM 0 H LEU A 22 8.204 7.318 0.587 1.00 0.00 H new ATOM 0 HA LEU A 22 9.673 6.196 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.338 5.438 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.518 4.656 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 22 9.139 4.383 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.388 2.050 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.685 2.565 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.615 2.598 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.187 3.655 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.474 4.195 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.847 5.381 -0.513 1.00 0.00 H new ATOM 373 N ASN A 23 8.178 7.021 -3.604 1.00 0.00 N ATOM 374 CA ASN A 23 7.336 7.644 -4.690 1.00 0.00 C ATOM 375 C ASN A 23 6.617 6.577 -5.517 1.00 0.00 C ATOM 376 O ASN A 23 6.682 5.403 -5.221 1.00 0.00 O ATOM 377 CB ASN A 23 8.275 8.501 -5.569 1.00 0.00 C ATOM 378 CG ASN A 23 9.531 7.723 -5.993 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.461 6.854 -6.833 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.682 8.006 -5.441 1.00 0.00 N ATOM 0 H ASN A 23 9.033 6.569 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 23 6.556 8.268 -4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.737 8.834 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.570 9.395 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.520 7.495 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.742 8.738 -4.733 1.00 0.00 H new ATOM 387 N GLU A 24 5.919 6.999 -6.549 1.00 0.00 N ATOM 388 CA GLU A 24 5.151 6.042 -7.425 1.00 0.00 C ATOM 389 C GLU A 24 6.088 4.967 -7.995 1.00 0.00 C ATOM 390 O GLU A 24 5.709 3.824 -8.103 1.00 0.00 O ATOM 391 CB GLU A 24 4.574 6.908 -8.559 1.00 0.00 C ATOM 392 CG GLU A 24 3.437 6.157 -9.284 1.00 0.00 C ATOM 393 CD GLU A 24 2.086 6.365 -8.568 1.00 0.00 C ATOM 394 OE1 GLU A 24 1.800 7.482 -8.158 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.344 5.402 -8.465 1.00 0.00 O ATOM 0 H GLU A 24 5.846 7.978 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 24 4.370 5.520 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.197 7.847 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.362 7.161 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.364 6.508 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.669 5.093 -9.326 1.00 0.00 H new ATOM 402 N GLU A 25 7.306 5.330 -8.344 1.00 0.00 N ATOM 403 CA GLU A 25 8.276 4.323 -8.898 1.00 0.00 C ATOM 404 C GLU A 25 8.816 3.399 -7.784 1.00 0.00 C ATOM 405 O GLU A 25 8.839 2.193 -7.943 1.00 0.00 O ATOM 406 CB GLU A 25 9.410 5.157 -9.512 1.00 0.00 C ATOM 407 CG GLU A 25 10.405 4.240 -10.236 1.00 0.00 C ATOM 408 CD GLU A 25 11.636 5.048 -10.659 1.00 0.00 C ATOM 409 OE1 GLU A 25 11.580 5.672 -11.708 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.613 5.026 -9.929 1.00 0.00 O ATOM 0 H GLU A 25 7.669 6.280 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 25 7.805 3.669 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.999 5.885 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.923 5.719 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.703 3.421 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.933 3.793 -11.111 1.00 0.00 H new ATOM 417 N GLN A 26 9.258 3.959 -6.666 1.00 0.00 N ATOM 418 CA GLN A 26 9.814 3.115 -5.541 1.00 0.00 C ATOM 419 C GLN A 26 8.708 2.292 -4.868 1.00 0.00 C ATOM 420 O GLN A 26 8.829 1.095 -4.740 1.00 0.00 O ATOM 421 CB GLN A 26 10.451 4.095 -4.540 1.00 0.00 C ATOM 422 CG GLN A 26 11.624 4.846 -5.198 1.00 0.00 C ATOM 423 CD GLN A 26 12.750 3.867 -5.566 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.727 3.272 -6.626 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.741 3.678 -4.739 1.00 0.00 N ATOM 0 H GLN A 26 9.257 4.963 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 26 10.546 2.400 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.703 4.808 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.804 3.552 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.277 5.363 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.004 5.607 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.764 4.175 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.493 3.033 -4.983 1.00 0.00 H new ATOM 434 N ARG A 27 7.629 2.926 -4.454 1.00 0.00 N ATOM 435 CA ARG A 27 6.497 2.182 -3.790 1.00 0.00 C ATOM 436 C ARG A 27 5.912 1.091 -4.728 1.00 0.00 C ATOM 437 O ARG A 27 5.680 -0.020 -4.303 1.00 0.00 O ATOM 438 CB ARG A 27 5.436 3.269 -3.505 1.00 0.00 C ATOM 439 CG ARG A 27 4.070 2.638 -3.188 1.00 0.00 C ATOM 440 CD ARG A 27 2.981 3.717 -3.189 1.00 0.00 C ATOM 441 NE ARG A 27 2.933 4.242 -4.592 1.00 0.00 N ATOM 442 CZ ARG A 27 2.870 5.532 -4.818 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.811 6.326 -4.370 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.869 6.025 -5.501 1.00 0.00 N ATOM 0 H ARG A 27 7.482 3.931 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 27 6.825 1.664 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.759 3.886 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.344 3.928 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.834 1.871 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.104 2.145 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.018 3.302 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.216 4.512 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 27 2.949 3.591 -5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.595 5.941 -3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.759 7.329 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.140 5.406 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.817 7.028 -5.678 1.00 0.00 H new ATOM 458 N ASN A 28 5.669 1.413 -5.995 1.00 0.00 N ATOM 459 CA ASN A 28 5.086 0.405 -6.963 1.00 0.00 C ATOM 460 C ASN A 28 6.066 -0.741 -7.209 1.00 0.00 C ATOM 461 O ASN A 28 5.697 -1.894 -7.102 1.00 0.00 O ATOM 462 CB ASN A 28 4.843 1.198 -8.248 1.00 0.00 C ATOM 463 CG ASN A 28 4.212 0.347 -9.363 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.284 -0.867 -9.360 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.595 0.953 -10.338 1.00 0.00 N ATOM 0 H ASN A 28 5.851 2.332 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 28 4.173 -0.052 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.191 2.044 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.789 1.608 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.176 0.409 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.531 1.971 -10.347 1.00 0.00 H new ATOM 472 N ALA A 29 7.314 -0.431 -7.511 1.00 0.00 N ATOM 473 CA ALA A 29 8.341 -1.509 -7.729 1.00 0.00 C ATOM 474 C ALA A 29 8.430 -2.374 -6.467 1.00 0.00 C ATOM 475 O ALA A 29 8.598 -3.577 -6.536 1.00 0.00 O ATOM 476 CB ALA A 29 9.644 -0.768 -7.961 1.00 0.00 C ATOM 0 H ALA A 29 7.663 0.522 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 29 8.100 -2.166 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.446 -1.487 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.546 -0.124 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.878 -0.161 -7.087 1.00 0.00 H new ATOM 482 N PHE A 30 8.265 -1.751 -5.316 1.00 0.00 N ATOM 483 CA PHE A 30 8.263 -2.492 -4.021 1.00 0.00 C ATOM 484 C PHE A 30 7.055 -3.406 -3.970 1.00 0.00 C ATOM 485 O PHE A 30 7.165 -4.561 -3.648 1.00 0.00 O ATOM 486 CB PHE A 30 8.143 -1.414 -2.960 1.00 0.00 C ATOM 487 CG PHE A 30 9.515 -1.067 -2.490 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.544 -0.733 -3.390 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.760 -1.100 -1.144 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.813 -0.438 -2.900 1.00 0.00 C ATOM 491 CE2 PHE A 30 11.006 -0.818 -0.672 1.00 0.00 C ATOM 492 CZ PHE A 30 12.037 -0.490 -1.532 1.00 0.00 C ATOM 0 H PHE A 30 8.130 -0.744 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 30 9.153 -3.106 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.647 -0.533 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.534 -1.766 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.351 -0.706 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.966 -1.350 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.612 -0.172 -3.576 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.191 -0.851 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.019 -0.274 -1.138 1.00 0.00 H new ATOM 502 N ILE A 31 5.911 -2.886 -4.342 1.00 0.00 N ATOM 503 CA ILE A 31 4.668 -3.710 -4.393 1.00 0.00 C ATOM 504 C ILE A 31 4.853 -4.822 -5.444 1.00 0.00 C ATOM 505 O ILE A 31 4.304 -5.886 -5.291 1.00 0.00 O ATOM 506 CB ILE A 31 3.557 -2.715 -4.732 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.366 -1.792 -3.526 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.275 -3.464 -4.994 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.666 -0.516 -3.954 1.00 0.00 C ATOM 0 H ILE A 31 5.786 -1.911 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 31 4.426 -4.225 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 31 3.821 -2.138 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.780 -2.299 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.333 -1.555 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.483 -2.756 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.418 -4.148 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.997 -4.031 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.534 0.134 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.269 -0.005 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.691 -0.760 -4.376 1.00 0.00 H new ATOM 521 N GLN A 32 5.675 -4.610 -6.476 1.00 0.00 N ATOM 522 CA GLN A 32 5.932 -5.709 -7.470 1.00 0.00 C ATOM 523 C GLN A 32 6.786 -6.796 -6.789 1.00 0.00 C ATOM 524 O GLN A 32 6.429 -7.957 -6.798 1.00 0.00 O ATOM 525 CB GLN A 32 6.672 -5.060 -8.652 1.00 0.00 C ATOM 526 CG GLN A 32 5.708 -4.160 -9.436 1.00 0.00 C ATOM 527 CD GLN A 32 6.450 -3.473 -10.585 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.718 -2.289 -10.529 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.800 -4.168 -11.636 1.00 0.00 N ATOM 0 H GLN A 32 6.165 -3.735 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 32 5.016 -6.183 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.516 -4.474 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.078 -5.831 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.882 -4.753 -9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.276 -3.411 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.577 -5.162 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.296 -3.716 -12.404 1.00 0.00 H new ATOM 538 N SER A 33 7.878 -6.409 -6.138 1.00 0.00 N ATOM 539 CA SER A 33 8.737 -7.401 -5.384 1.00 0.00 C ATOM 540 C SER A 33 7.971 -7.971 -4.168 1.00 0.00 C ATOM 541 O SER A 33 8.210 -9.084 -3.746 1.00 0.00 O ATOM 542 CB SER A 33 9.991 -6.624 -4.945 1.00 0.00 C ATOM 543 OG SER A 33 9.619 -5.407 -4.314 1.00 0.00 O ATOM 0 H SER A 33 8.209 -5.445 -6.099 1.00 0.00 H new ATOM 0 HA SER A 33 9.005 -8.257 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.582 -7.231 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.620 -6.416 -5.810 1.00 0.00 H new ATOM 0 HG SER A 33 8.651 -5.402 -4.159 1.00 0.00 H new ATOM 549 N LEU A 34 7.054 -7.201 -3.616 1.00 0.00 N ATOM 550 CA LEU A 34 6.243 -7.644 -2.432 1.00 0.00 C ATOM 551 C LEU A 34 5.098 -8.585 -2.870 1.00 0.00 C ATOM 552 O LEU A 34 4.880 -9.617 -2.256 1.00 0.00 O ATOM 553 CB LEU A 34 5.725 -6.313 -1.850 1.00 0.00 C ATOM 554 CG LEU A 34 4.998 -6.505 -0.519 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.984 -6.846 0.579 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.297 -5.206 -0.149 1.00 0.00 C ATOM 0 H LEU A 34 6.831 -6.262 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 34 6.808 -8.222 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.563 -5.630 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.050 -5.844 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 34 4.280 -7.318 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.449 -6.979 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.507 -7.768 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.706 -6.036 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.775 -5.332 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.034 -4.409 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.579 -4.946 -0.927 1.00 0.00 H new ATOM 568 N LYS A 35 4.373 -8.240 -3.929 1.00 0.00 N ATOM 569 CA LYS A 35 3.242 -9.116 -4.418 1.00 0.00 C ATOM 570 C LYS A 35 3.813 -10.405 -5.037 1.00 0.00 C ATOM 571 O LYS A 35 3.283 -11.480 -4.821 1.00 0.00 O ATOM 572 CB LYS A 35 2.451 -8.273 -5.455 1.00 0.00 C ATOM 573 CG LYS A 35 1.290 -7.551 -4.776 1.00 0.00 C ATOM 574 CD LYS A 35 0.015 -7.732 -5.604 1.00 0.00 C ATOM 575 CE LYS A 35 -1.209 -7.666 -4.679 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.653 -9.081 -4.491 1.00 0.00 N ATOM 0 H LYS A 35 4.519 -7.389 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 35 2.581 -9.425 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.114 -7.547 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.073 -8.920 -6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.142 -7.946 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.520 -6.491 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.050 -6.956 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.040 -8.689 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.954 -7.206 -3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.002 -7.063 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.322 -9.132 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.119 -9.417 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.827 -9.680 -4.287 1.00 0.00 H new ATOM 590 N ASP A 36 4.908 -10.304 -5.778 1.00 0.00 N ATOM 591 CA ASP A 36 5.539 -11.529 -6.383 1.00 0.00 C ATOM 592 C ASP A 36 6.309 -12.339 -5.309 1.00 0.00 C ATOM 593 O ASP A 36 6.308 -13.557 -5.346 1.00 0.00 O ATOM 594 CB ASP A 36 6.495 -11.020 -7.487 1.00 0.00 C ATOM 595 CG ASP A 36 5.718 -10.344 -8.646 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.600 -10.752 -8.933 1.00 0.00 O ATOM 597 OD2 ASP A 36 6.273 -9.438 -9.246 1.00 0.00 O ATOM 0 H ASP A 36 5.386 -9.427 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 36 4.786 -12.201 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.202 -10.309 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.079 -11.854 -7.877 1.00 0.00 H new ATOM 602 N ASP A 37 6.955 -11.675 -4.354 1.00 0.00 N ATOM 603 CA ASP A 37 7.717 -12.411 -3.281 1.00 0.00 C ATOM 604 C ASP A 37 7.108 -12.126 -1.886 1.00 0.00 C ATOM 605 O ASP A 37 7.343 -11.073 -1.312 1.00 0.00 O ATOM 606 CB ASP A 37 9.166 -11.898 -3.361 1.00 0.00 C ATOM 607 CG ASP A 37 10.122 -12.979 -2.844 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.067 -13.281 -1.660 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.897 -13.484 -3.637 1.00 0.00 O ATOM 0 H ASP A 37 6.983 -10.658 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 37 7.671 -13.490 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.415 -11.640 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.274 -10.989 -2.769 1.00 0.00 H new ATOM 614 N PRO A 38 6.334 -13.082 -1.387 1.00 0.00 N ATOM 615 CA PRO A 38 5.676 -12.939 -0.048 1.00 0.00 C ATOM 616 C PRO A 38 6.687 -12.964 1.123 1.00 0.00 C ATOM 617 O PRO A 38 6.538 -12.219 2.078 1.00 0.00 O ATOM 618 CB PRO A 38 4.751 -14.157 0.017 1.00 0.00 C ATOM 619 CG PRO A 38 5.369 -15.157 -0.897 1.00 0.00 C ATOM 620 CD PRO A 38 5.988 -14.372 -2.012 1.00 0.00 C ATOM 0 HA PRO A 38 5.162 -11.983 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.677 -14.543 1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.740 -13.903 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.119 -15.751 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.621 -15.852 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.870 -14.872 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.294 -14.241 -2.842 1.00 0.00 H new ATOM 628 N SER A 39 7.689 -13.828 1.068 1.00 0.00 N ATOM 629 CA SER A 39 8.694 -13.923 2.193 1.00 0.00 C ATOM 630 C SER A 39 9.593 -12.677 2.293 1.00 0.00 C ATOM 631 O SER A 39 10.041 -12.333 3.375 1.00 0.00 O ATOM 632 CB SER A 39 9.528 -15.182 1.906 1.00 0.00 C ATOM 633 OG SER A 39 10.255 -15.022 0.692 1.00 0.00 O ATOM 0 H SER A 39 7.853 -14.470 0.293 1.00 0.00 H new ATOM 0 HA SER A 39 8.182 -13.982 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.217 -15.367 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.875 -16.052 1.836 1.00 0.00 H new ATOM 0 HG SER A 39 9.850 -14.306 0.160 1.00 0.00 H new ATOM 639 N GLN A 40 9.855 -11.992 1.193 1.00 0.00 N ATOM 640 CA GLN A 40 10.722 -10.763 1.255 1.00 0.00 C ATOM 641 C GLN A 40 9.920 -9.526 1.715 1.00 0.00 C ATOM 642 O GLN A 40 10.462 -8.446 1.739 1.00 0.00 O ATOM 643 CB GLN A 40 11.231 -10.540 -0.179 1.00 0.00 C ATOM 644 CG GLN A 40 12.614 -9.882 -0.139 1.00 0.00 C ATOM 645 CD GLN A 40 12.910 -9.212 -1.486 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.986 -9.874 -2.504 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.089 -7.920 -1.537 1.00 0.00 N ATOM 0 H GLN A 40 9.508 -12.230 0.264 1.00 0.00 H new ATOM 0 HA GLN A 40 11.532 -10.900 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.285 -11.491 -0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.533 -9.909 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.652 -9.143 0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.376 -10.630 0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.026 -7.362 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.292 -7.468 -2.429 1.00 0.00 H new ATOM 656 N SER A 41 8.642 -9.661 2.042 1.00 0.00 N ATOM 657 CA SER A 41 7.819 -8.463 2.442 1.00 0.00 C ATOM 658 C SER A 41 8.416 -7.671 3.612 1.00 0.00 C ATOM 659 O SER A 41 8.490 -6.459 3.527 1.00 0.00 O ATOM 660 CB SER A 41 6.427 -9.005 2.801 1.00 0.00 C ATOM 661 OG SER A 41 6.519 -9.903 3.908 1.00 0.00 O ATOM 0 H SER A 41 8.139 -10.548 2.048 1.00 0.00 H new ATOM 0 HA SER A 41 7.786 -7.751 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.759 -8.179 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.996 -9.518 1.942 1.00 0.00 H new ATOM 0 HG SER A 41 6.544 -10.826 3.579 1.00 0.00 H new ATOM 667 N ALA A 42 8.859 -8.302 4.685 1.00 0.00 N ATOM 668 CA ALA A 42 9.467 -7.496 5.803 1.00 0.00 C ATOM 669 C ALA A 42 10.715 -6.779 5.286 1.00 0.00 C ATOM 670 O ALA A 42 10.866 -5.592 5.478 1.00 0.00 O ATOM 671 CB ALA A 42 9.882 -8.476 6.869 1.00 0.00 C ATOM 0 H ALA A 42 8.828 -9.311 4.832 1.00 0.00 H new ATOM 0 HA ALA A 42 8.760 -6.760 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.330 -7.937 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.008 -9.025 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.609 -9.176 6.457 1.00 0.00 H new ATOM 677 N ASN A 43 11.582 -7.505 4.587 1.00 0.00 N ATOM 678 CA ASN A 43 12.804 -6.879 3.982 1.00 0.00 C ATOM 679 C ASN A 43 12.371 -5.763 3.051 1.00 0.00 C ATOM 680 O ASN A 43 13.017 -4.756 2.966 1.00 0.00 O ATOM 681 CB ASN A 43 13.471 -7.954 3.136 1.00 0.00 C ATOM 682 CG ASN A 43 14.735 -8.477 3.828 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.790 -8.522 3.229 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.678 -8.882 5.071 1.00 0.00 N ATOM 0 H ASN A 43 11.486 -8.506 4.415 1.00 0.00 H new ATOM 0 HA ASN A 43 13.469 -6.489 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.775 -8.776 2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.727 -7.548 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.517 -9.233 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.794 -8.846 5.579 1.00 0.00 H new ATOM 691 N LEU A 44 11.264 -5.963 2.356 1.00 0.00 N ATOM 692 CA LEU A 44 10.739 -4.928 1.428 1.00 0.00 C ATOM 693 C LEU A 44 10.320 -3.721 2.197 1.00 0.00 C ATOM 694 O LEU A 44 10.654 -2.622 1.818 1.00 0.00 O ATOM 695 CB LEU A 44 9.565 -5.548 0.715 1.00 0.00 C ATOM 696 CG LEU A 44 10.122 -6.408 -0.388 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.981 -7.153 -1.039 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.842 -5.496 -1.378 1.00 0.00 C ATOM 0 H LEU A 44 10.705 -6.815 2.402 1.00 0.00 H new ATOM 0 HA LEU A 44 11.497 -4.608 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.967 -6.144 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.910 -4.777 0.309 1.00 0.00 H new ATOM 0 HG LEU A 44 10.833 -7.143 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.368 -7.782 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.483 -7.777 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.267 -6.439 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.256 -6.095 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.136 -4.772 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.648 -4.969 -0.867 1.00 0.00 H new ATOM 710 N LEU A 45 9.648 -3.899 3.306 1.00 0.00 N ATOM 711 CA LEU A 45 9.321 -2.699 4.099 1.00 0.00 C ATOM 712 C LEU A 45 10.637 -2.140 4.624 1.00 0.00 C ATOM 713 O LEU A 45 10.888 -0.993 4.459 1.00 0.00 O ATOM 714 CB LEU A 45 8.403 -3.133 5.224 1.00 0.00 C ATOM 715 CG LEU A 45 8.308 -2.029 6.289 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.039 -0.664 5.630 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.178 -2.378 7.248 1.00 0.00 C ATOM 0 H LEU A 45 9.326 -4.792 3.679 1.00 0.00 H new ATOM 0 HA LEU A 45 8.815 -1.926 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.411 -3.353 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.778 -4.052 5.675 1.00 0.00 H new ATOM 0 HG LEU A 45 9.251 -1.962 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.975 0.105 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.852 -0.425 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.100 -0.705 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.096 -1.604 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.240 -2.444 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.387 -3.336 7.724 1.00 0.00 H new ATOM 729 N ALA A 46 11.493 -2.960 5.201 1.00 0.00 N ATOM 730 CA ALA A 46 12.826 -2.454 5.699 1.00 0.00 C ATOM 731 C ALA A 46 13.582 -1.707 4.603 1.00 0.00 C ATOM 732 O ALA A 46 14.112 -0.653 4.854 1.00 0.00 O ATOM 733 CB ALA A 46 13.632 -3.696 6.026 1.00 0.00 C ATOM 0 H ALA A 46 11.329 -3.956 5.349 1.00 0.00 H new ATOM 0 HA ALA A 46 12.680 -1.780 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.616 -3.405 6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.114 -4.275 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.746 -4.303 5.128 1.00 0.00 H new ATOM 739 N GLU A 47 13.628 -2.236 3.391 1.00 0.00 N ATOM 740 CA GLU A 47 14.333 -1.513 2.294 1.00 0.00 C ATOM 741 C GLU A 47 13.518 -0.265 1.956 1.00 0.00 C ATOM 742 O GLU A 47 14.084 0.758 1.668 1.00 0.00 O ATOM 743 CB GLU A 47 14.514 -2.469 1.106 1.00 0.00 C ATOM 744 CG GLU A 47 13.200 -2.929 0.544 1.00 0.00 C ATOM 745 CD GLU A 47 13.459 -3.895 -0.612 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.864 -5.019 -0.341 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.251 -3.499 -1.747 1.00 0.00 O ATOM 0 H GLU A 47 13.209 -3.128 3.127 1.00 0.00 H new ATOM 0 HA GLU A 47 15.331 -1.186 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.087 -1.970 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.095 -3.335 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.611 -3.420 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.620 -2.074 0.196 1.00 0.00 H new ATOM 754 N ALA A 48 12.194 -0.323 2.039 1.00 0.00 N ATOM 755 CA ALA A 48 11.371 0.902 1.804 1.00 0.00 C ATOM 756 C ALA A 48 11.647 1.902 2.951 1.00 0.00 C ATOM 757 O ALA A 48 11.791 3.087 2.725 1.00 0.00 O ATOM 758 CB ALA A 48 9.922 0.405 1.841 1.00 0.00 C ATOM 0 H ALA A 48 11.663 -1.166 2.258 1.00 0.00 H new ATOM 0 HA ALA A 48 11.591 1.408 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.245 1.244 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.773 -0.340 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.716 -0.042 2.813 1.00 0.00 H new ATOM 764 N LYS A 49 11.783 1.391 4.170 1.00 0.00 N ATOM 765 CA LYS A 49 12.121 2.223 5.368 1.00 0.00 C ATOM 766 C LYS A 49 13.532 2.788 5.144 1.00 0.00 C ATOM 767 O LYS A 49 13.815 3.943 5.390 1.00 0.00 O ATOM 768 CB LYS A 49 12.123 1.210 6.536 1.00 0.00 C ATOM 769 CG LYS A 49 10.707 0.701 6.843 1.00 0.00 C ATOM 770 CD LYS A 49 9.802 1.843 7.268 1.00 0.00 C ATOM 771 CE LYS A 49 10.196 2.294 8.670 1.00 0.00 C ATOM 772 NZ LYS A 49 9.370 3.508 8.950 1.00 0.00 N ATOM 0 H LYS A 49 11.667 0.399 4.377 1.00 0.00 H new ATOM 0 HA LYS A 49 11.439 3.052 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.767 0.367 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.543 1.680 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.293 0.212 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.749 -0.049 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.889 2.673 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.760 1.523 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.002 1.511 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.260 2.523 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.593 3.868 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.580 4.242 8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.361 3.260 8.902 1.00 0.00 H new ATOM 786 N LYS A 50 14.381 1.935 4.610 1.00 0.00 N ATOM 787 CA LYS A 50 15.787 2.287 4.252 1.00 0.00 C ATOM 788 C LYS A 50 15.761 3.344 3.129 1.00 0.00 C ATOM 789 O LYS A 50 16.521 4.295 3.148 1.00 0.00 O ATOM 790 CB LYS A 50 16.361 0.929 3.787 1.00 0.00 C ATOM 791 CG LYS A 50 17.582 1.072 2.871 1.00 0.00 C ATOM 792 CD LYS A 50 17.608 -0.128 1.907 1.00 0.00 C ATOM 793 CE LYS A 50 18.003 -1.405 2.670 1.00 0.00 C ATOM 794 NZ LYS A 50 18.154 -2.463 1.628 1.00 0.00 N ATOM 0 H LYS A 50 14.138 0.967 4.401 1.00 0.00 H new ATOM 0 HA LYS A 50 16.384 2.723 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.638 0.340 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.584 0.374 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.530 2.006 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.498 1.104 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.628 -0.257 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.317 0.058 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.933 -1.261 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.240 -1.678 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.423 -3.360 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.252 -2.586 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.892 -2.182 0.952 1.00 0.00 H new ATOM 808 N LEU A 51 14.852 3.186 2.180 1.00 0.00 N ATOM 809 CA LEU A 51 14.702 4.173 1.062 1.00 0.00 C ATOM 810 C LEU A 51 14.140 5.480 1.609 1.00 0.00 C ATOM 811 O LEU A 51 14.478 6.543 1.147 1.00 0.00 O ATOM 812 CB LEU A 51 13.677 3.556 0.095 1.00 0.00 C ATOM 813 CG LEU A 51 14.349 2.998 -1.164 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.601 2.192 -0.808 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.353 2.097 -1.877 1.00 0.00 C ATOM 0 H LEU A 51 14.202 2.401 2.139 1.00 0.00 H new ATOM 0 HA LEU A 51 15.656 4.379 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.134 2.758 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.944 4.311 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 51 14.651 3.826 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.058 1.808 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.312 2.835 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.326 1.359 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.812 1.689 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.062 1.281 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.470 2.675 -2.150 1.00 0.00 H new ATOM 827 N ASN A 52 13.269 5.385 2.590 1.00 0.00 N ATOM 828 CA ASN A 52 12.654 6.595 3.195 1.00 0.00 C ATOM 829 C ASN A 52 13.742 7.515 3.773 1.00 0.00 C ATOM 830 O ASN A 52 13.697 8.714 3.586 1.00 0.00 O ATOM 831 CB ASN A 52 11.735 6.058 4.296 1.00 0.00 C ATOM 832 CG ASN A 52 10.854 7.184 4.821 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.967 7.638 4.135 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.074 7.662 6.011 1.00 0.00 N ATOM 0 H ASN A 52 12.959 4.503 2.997 1.00 0.00 H new ATOM 0 HA ASN A 52 12.104 7.193 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.116 5.251 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.330 5.639 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.497 8.423 6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.823 7.276 6.585 1.00 0.00 H new ATOM 841 N ASP A 53 14.723 6.949 4.450 1.00 0.00 N ATOM 842 CA ASP A 53 15.839 7.778 5.029 1.00 0.00 C ATOM 843 C ASP A 53 16.895 8.101 3.952 1.00 0.00 C ATOM 844 O ASP A 53 17.425 9.199 3.914 1.00 0.00 O ATOM 845 CB ASP A 53 16.460 6.929 6.149 1.00 0.00 C ATOM 846 CG ASP A 53 15.411 6.606 7.229 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.852 7.535 7.793 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.194 5.432 7.476 1.00 0.00 O ATOM 0 H ASP A 53 14.798 5.947 4.626 1.00 0.00 H new ATOM 0 HA ASP A 53 15.468 8.731 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.858 6.004 5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.298 7.464 6.596 1.00 0.00 H new ATOM 853 N ALA A 54 17.196 7.153 3.077 1.00 0.00 N ATOM 854 CA ALA A 54 18.213 7.391 1.991 1.00 0.00 C ATOM 855 C ALA A 54 17.682 8.424 0.978 1.00 0.00 C ATOM 856 O ALA A 54 18.393 9.330 0.581 1.00 0.00 O ATOM 857 CB ALA A 54 18.416 6.030 1.316 1.00 0.00 C ATOM 0 H ALA A 54 16.777 6.223 3.072 1.00 0.00 H new ATOM 0 HA ALA A 54 19.148 7.787 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.146 6.128 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.778 5.310 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.468 5.683 0.905 1.00 0.00 H new ATOM 863 N GLN A 55 16.427 8.298 0.587 1.00 0.00 N ATOM 864 CA GLN A 55 15.806 9.275 -0.372 1.00 0.00 C ATOM 865 C GLN A 55 15.205 10.488 0.385 1.00 0.00 C ATOM 866 O GLN A 55 14.610 11.359 -0.227 1.00 0.00 O ATOM 867 CB GLN A 55 14.687 8.509 -1.090 1.00 0.00 C ATOM 868 CG GLN A 55 15.252 7.292 -1.842 1.00 0.00 C ATOM 869 CD GLN A 55 14.121 6.617 -2.616 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.196 6.468 -3.818 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.064 6.208 -1.972 1.00 0.00 N ATOM 0 H GLN A 55 15.803 7.552 0.896 1.00 0.00 H new ATOM 0 HA GLN A 55 16.550 9.663 -1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.942 8.180 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.179 9.171 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.041 7.605 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.699 6.589 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.002 6.334 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.299 5.762 -2.478 1.00 0.00 H new ATOM 880 N ALA A 56 15.345 10.547 1.709 1.00 0.00 N ATOM 881 CA ALA A 56 14.773 11.691 2.496 1.00 0.00 C ATOM 882 C ALA A 56 15.490 13.006 2.182 1.00 0.00 C ATOM 883 O ALA A 56 16.654 13.009 1.813 1.00 0.00 O ATOM 884 CB ALA A 56 14.983 11.353 3.975 1.00 0.00 C ATOM 0 H ALA A 56 15.833 9.846 2.267 1.00 0.00 H new ATOM 0 HA ALA A 56 13.721 11.822 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.583 12.157 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.468 10.422 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.049 11.239 4.174 1.00 0.00 H new ATOM 890 N PRO A 57 14.763 14.090 2.364 1.00 0.00 N ATOM 891 CA PRO A 57 15.330 15.439 2.121 1.00 0.00 C ATOM 892 C PRO A 57 16.399 15.807 3.178 1.00 0.00 C ATOM 893 O PRO A 57 17.328 16.538 2.885 1.00 0.00 O ATOM 894 CB PRO A 57 14.114 16.360 2.210 1.00 0.00 C ATOM 895 CG PRO A 57 13.135 15.625 3.064 1.00 0.00 C ATOM 896 CD PRO A 57 13.356 14.163 2.808 1.00 0.00 C ATOM 0 HA PRO A 57 15.846 15.512 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.378 17.321 2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.701 16.565 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.286 15.861 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.113 15.912 2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.189 13.570 3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.676 13.783 2.045 1.00 0.00 H new ATOM 904 N LYS A 58 16.273 15.297 4.393 1.00 0.00 N ATOM 905 CA LYS A 58 17.278 15.600 5.467 1.00 0.00 C ATOM 906 C LYS A 58 18.141 14.357 5.756 1.00 0.00 C ATOM 907 O LYS A 58 17.585 13.274 5.892 1.00 0.00 O ATOM 908 CB LYS A 58 16.441 15.992 6.695 1.00 0.00 C ATOM 909 CG LYS A 58 17.357 16.534 7.796 1.00 0.00 C ATOM 910 CD LYS A 58 16.525 16.851 9.043 1.00 0.00 C ATOM 911 CE LYS A 58 17.422 17.486 10.119 1.00 0.00 C ATOM 912 NZ LYS A 58 17.993 16.342 10.897 1.00 0.00 N ATOM 913 OXT LYS A 58 19.349 14.511 5.841 1.00 0.00 O ATOM 0 H LYS A 58 15.512 14.682 4.682 1.00 0.00 H new ATOM 0 HA LYS A 58 17.967 16.395 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.704 16.746 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.889 15.126 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.127 15.801 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.868 17.432 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.712 17.531 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.068 15.939 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.212 18.085 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.848 18.151 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.614 16.708 11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.220 15.793 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.542 15.729 10.261 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 1.807 -4.805 -22.233 1.00 0.00 N ATOM 929 CA VAL B 1 1.995 -4.113 -20.905 1.00 0.00 C ATOM 930 C VAL B 1 2.096 -5.143 -19.759 1.00 0.00 C ATOM 931 O VAL B 1 1.891 -6.331 -19.961 1.00 0.00 O ATOM 932 CB VAL B 1 0.771 -3.179 -20.688 1.00 0.00 C ATOM 933 CG1 VAL B 1 0.813 -2.010 -21.682 1.00 0.00 C ATOM 934 CG2 VAL B 1 -0.553 -3.946 -20.860 1.00 0.00 C ATOM 0 H1 VAL B 1 1.084 -4.303 -22.787 1.00 0.00 H new ATOM 0 H2 VAL B 1 2.706 -4.804 -22.755 1.00 0.00 H new ATOM 0 H3 VAL B 1 1.501 -5.786 -22.073 1.00 0.00 H new ATOM 0 HA VAL B 1 2.921 -3.539 -20.907 1.00 0.00 H new ATOM 0 HB VAL B 1 0.822 -2.796 -19.669 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -0.049 -1.363 -21.520 1.00 0.00 H new ATOM 0 HG12 VAL B 1 1.729 -1.438 -21.532 1.00 0.00 H new ATOM 0 HG13 VAL B 1 0.789 -2.397 -22.701 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -1.390 -3.266 -20.702 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -0.606 -4.359 -21.867 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -0.601 -4.756 -20.132 1.00 0.00 H new ATOM 946 N ASP B 2 2.406 -4.688 -18.559 1.00 0.00 N ATOM 947 CA ASP B 2 2.520 -5.621 -17.383 1.00 0.00 C ATOM 948 C ASP B 2 1.122 -5.998 -16.866 1.00 0.00 C ATOM 949 O ASP B 2 0.331 -5.137 -16.514 1.00 0.00 O ATOM 950 CB ASP B 2 3.307 -4.841 -16.317 1.00 0.00 C ATOM 951 CG ASP B 2 3.524 -5.716 -15.072 1.00 0.00 C ATOM 952 OD1 ASP B 2 4.465 -6.491 -15.066 1.00 0.00 O ATOM 953 OD2 ASP B 2 2.743 -5.587 -14.144 1.00 0.00 O ATOM 0 H ASP B 2 2.585 -3.707 -18.345 1.00 0.00 H new ATOM 0 HA ASP B 2 3.020 -6.553 -17.646 1.00 0.00 H new ATOM 0 HB2 ASP B 2 4.269 -4.527 -16.722 1.00 0.00 H new ATOM 0 HB3 ASP B 2 2.765 -3.936 -16.044 1.00 0.00 H new ATOM 958 N ASN B 3 0.822 -7.282 -16.816 1.00 0.00 N ATOM 959 CA ASN B 3 -0.517 -7.737 -16.322 1.00 0.00 C ATOM 960 C ASN B 3 -0.387 -8.318 -14.896 1.00 0.00 C ATOM 961 O ASN B 3 -0.562 -9.506 -14.673 1.00 0.00 O ATOM 962 CB ASN B 3 -0.973 -8.803 -17.336 1.00 0.00 C ATOM 963 CG ASN B 3 -2.456 -9.134 -17.116 1.00 0.00 C ATOM 964 OD1 ASN B 3 -2.781 -10.175 -16.581 1.00 0.00 O ATOM 965 ND2 ASN B 3 -3.373 -8.288 -17.505 1.00 0.00 N ATOM 0 H ASN B 3 1.452 -8.033 -17.098 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.241 -6.925 -16.253 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.819 -8.440 -18.352 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.370 -9.704 -17.225 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -4.359 -8.502 -17.359 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -3.102 -7.413 -17.954 1.00 0.00 H new ATOM 972 N LYS B 4 -0.083 -7.470 -13.932 1.00 0.00 N ATOM 973 CA LYS B 4 0.055 -7.931 -12.507 1.00 0.00 C ATOM 974 C LYS B 4 -0.783 -7.045 -11.577 1.00 0.00 C ATOM 975 O LYS B 4 -1.131 -5.923 -11.916 1.00 0.00 O ATOM 976 CB LYS B 4 1.544 -7.809 -12.156 1.00 0.00 C ATOM 977 CG LYS B 4 2.371 -8.796 -12.989 1.00 0.00 C ATOM 978 CD LYS B 4 3.825 -8.766 -12.510 1.00 0.00 C ATOM 979 CE LYS B 4 4.673 -9.726 -13.355 1.00 0.00 C ATOM 980 NZ LYS B 4 5.664 -10.320 -12.403 1.00 0.00 N ATOM 0 H LYS B 4 0.076 -6.473 -14.074 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.298 -8.955 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.886 -6.791 -12.342 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.691 -8.006 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.964 -9.803 -12.891 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.318 -8.532 -14.045 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.221 -7.753 -12.586 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.877 -9.050 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.055 -10.499 -13.812 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.174 -9.198 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.278 -10.987 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.244 -9.563 -11.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.159 -10.823 -11.646 1.00 0.00 H new ATOM 994 N PHE B 5 -1.103 -7.538 -10.398 1.00 0.00 N ATOM 995 CA PHE B 5 -1.914 -6.741 -9.426 1.00 0.00 C ATOM 996 C PHE B 5 -1.030 -5.863 -8.516 1.00 0.00 C ATOM 997 O PHE B 5 -1.504 -5.374 -7.512 1.00 0.00 O ATOM 998 CB PHE B 5 -2.647 -7.776 -8.573 1.00 0.00 C ATOM 999 CG PHE B 5 -3.720 -8.469 -9.387 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.000 -7.911 -9.466 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -3.433 -9.663 -10.062 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.994 -8.542 -10.218 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -4.428 -10.294 -10.813 1.00 0.00 C ATOM 1004 CZ PHE B 5 -5.710 -9.734 -10.891 1.00 0.00 C ATOM 0 H PHE B 5 -0.833 -8.465 -10.070 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.586 -6.063 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -1.938 -8.512 -8.194 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.096 -7.290 -7.707 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.220 -6.991 -8.945 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -2.445 -10.095 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -6.982 -8.109 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -4.209 -11.214 -11.334 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.479 -10.223 -11.471 1.00 0.00 H new ATOM 1014 N ASN B 6 0.238 -5.668 -8.837 1.00 0.00 N ATOM 1015 CA ASN B 6 1.132 -4.826 -7.956 1.00 0.00 C ATOM 1016 C ASN B 6 1.266 -3.382 -8.461 1.00 0.00 C ATOM 1017 O ASN B 6 1.322 -2.453 -7.671 1.00 0.00 O ATOM 1018 CB ASN B 6 2.513 -5.521 -7.878 1.00 0.00 C ATOM 1019 CG ASN B 6 2.953 -6.150 -9.216 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.816 -5.553 -10.268 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.484 -7.343 -9.215 1.00 0.00 N ATOM 0 H ASN B 6 0.690 -6.053 -9.666 1.00 0.00 H new ATOM 0 HA ASN B 6 0.686 -4.750 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.261 -4.794 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.480 -6.297 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.781 -7.770 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.601 -7.848 -8.337 1.00 0.00 H new ATOM 1028 N LYS B 7 1.287 -3.171 -9.750 1.00 0.00 N ATOM 1029 CA LYS B 7 1.388 -1.766 -10.285 1.00 0.00 C ATOM 1030 C LYS B 7 0.132 -0.986 -9.932 1.00 0.00 C ATOM 1031 O LYS B 7 0.184 0.195 -9.631 1.00 0.00 O ATOM 1032 CB LYS B 7 1.563 -1.894 -11.800 1.00 0.00 C ATOM 1033 CG LYS B 7 2.958 -2.453 -12.106 1.00 0.00 C ATOM 1034 CD LYS B 7 3.238 -2.361 -13.608 1.00 0.00 C ATOM 1035 CE LYS B 7 4.649 -2.891 -13.904 1.00 0.00 C ATOM 1036 NZ LYS B 7 5.585 -1.777 -13.564 1.00 0.00 N ATOM 0 H LYS B 7 1.239 -3.902 -10.459 1.00 0.00 H new ATOM 0 HA LYS B 7 2.228 -1.224 -9.851 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.797 -2.552 -12.211 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.437 -0.921 -12.275 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.713 -1.895 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.024 -3.490 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.498 -2.939 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS B 7 3.150 -1.327 -13.942 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.866 -3.778 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.747 -3.177 -14.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 6.477 -1.903 -14.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 5.154 -0.868 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 5.776 -1.784 -12.542 1.00 0.00 H new ATOM 1050 N GLU B 8 -0.982 -1.661 -9.938 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.272 -1.017 -9.569 1.00 0.00 C ATOM 1052 C GLU B 8 -2.315 -0.678 -8.074 1.00 0.00 C ATOM 1053 O GLU B 8 -2.960 0.274 -7.698 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.361 -2.016 -9.971 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.234 -3.323 -9.179 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.294 -4.317 -9.657 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -4.223 -4.741 -10.801 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.158 -4.641 -8.869 1.00 0.00 O ATOM 0 H GLU B 8 -1.054 -2.648 -10.187 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.413 -0.065 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.343 -1.577 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.290 -2.226 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.238 -3.746 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.358 -3.128 -8.114 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.610 -1.412 -7.225 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.615 -1.053 -5.763 1.00 0.00 C ATOM 1067 C LEU B 9 -0.839 0.243 -5.545 1.00 0.00 C ATOM 1068 O LEU B 9 -1.118 0.972 -4.617 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.932 -2.144 -4.937 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.485 -3.547 -5.210 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.483 -4.581 -4.656 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.836 -3.696 -4.484 1.00 0.00 C ATOM 0 H LEU B 9 -1.046 -2.224 -7.477 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.653 -0.942 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.137 -2.135 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.049 -1.915 -3.878 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.627 -3.704 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.859 -5.587 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.480 -4.457 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.361 -4.431 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.241 -4.691 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.690 -3.558 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.533 -2.945 -4.855 1.00 0.00 H new ATOM 1084 N SER B 10 0.127 0.546 -6.396 1.00 0.00 N ATOM 1085 CA SER B 10 0.885 1.822 -6.227 1.00 0.00 C ATOM 1086 C SER B 10 -0.103 2.995 -6.374 1.00 0.00 C ATOM 1087 O SER B 10 -0.102 3.919 -5.584 1.00 0.00 O ATOM 1088 CB SER B 10 1.923 1.833 -7.342 1.00 0.00 C ATOM 1089 OG SER B 10 2.549 3.111 -7.385 1.00 0.00 O ATOM 0 H SER B 10 0.413 -0.032 -7.186 1.00 0.00 H new ATOM 0 HA SER B 10 1.368 1.911 -5.254 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.667 1.056 -7.170 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.449 1.614 -8.299 1.00 0.00 H new ATOM 0 HG SER B 10 1.964 3.746 -7.848 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.967 2.922 -7.374 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.989 3.999 -7.607 1.00 0.00 C ATOM 1097 C VAL B 11 -3.199 3.806 -6.667 1.00 0.00 C ATOM 1098 O VAL B 11 -3.581 4.713 -5.951 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.414 3.841 -9.086 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.302 5.018 -9.499 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.175 3.793 -9.998 1.00 0.00 C ATOM 0 H VAL B 11 -1.004 2.152 -8.042 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.591 4.993 -7.404 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.969 2.909 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.598 4.902 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.191 5.041 -8.869 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.749 5.950 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.491 3.682 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.607 4.717 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.549 2.947 -9.717 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.796 2.625 -6.678 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.990 2.333 -5.803 1.00 0.00 C ATOM 1113 C ALA B 12 -4.634 2.427 -4.323 1.00 0.00 C ATOM 1114 O ALA B 12 -5.316 3.071 -3.555 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.418 0.895 -6.150 1.00 0.00 C ATOM 0 H ALA B 12 -3.502 1.843 -7.264 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.786 3.056 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.283 0.618 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.678 0.838 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.596 0.210 -5.941 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.574 1.775 -3.938 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.129 1.759 -2.519 1.00 0.00 C ATOM 1123 C GLY B 13 -2.707 3.134 -2.037 1.00 0.00 C ATOM 1124 O GLY B 13 -3.173 3.583 -1.011 1.00 0.00 O ATOM 0 H GLY B 13 -2.980 1.236 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.938 1.388 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.296 1.065 -2.409 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.800 3.785 -2.736 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.312 5.123 -2.260 1.00 0.00 C ATOM 1130 C ARG B 14 -2.451 6.159 -2.169 1.00 0.00 C ATOM 1131 O ARG B 14 -2.473 6.962 -1.252 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.232 5.574 -3.238 1.00 0.00 C ATOM 1133 CG ARG B 14 0.537 6.751 -2.629 1.00 0.00 C ATOM 1134 CD ARG B 14 1.301 6.288 -1.386 1.00 0.00 C ATOM 1135 NE ARG B 14 2.695 6.801 -1.546 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.005 8.021 -1.180 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.916 9.005 -2.042 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.416 8.250 0.045 1.00 0.00 N ATOM 0 H ARG B 14 -1.382 3.452 -3.605 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.913 5.037 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.449 4.750 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.683 5.869 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.232 7.161 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.155 7.551 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.843 6.680 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.292 5.201 -1.305 1.00 0.00 H new ATOM 0 HE ARG B 14 3.413 6.196 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.606 8.821 -2.996 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.157 9.955 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.494 7.480 0.709 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.658 9.198 0.333 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.404 6.145 -3.085 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.542 7.126 -2.984 1.00 0.00 C ATOM 1154 C GLU B 15 -5.383 6.776 -1.740 1.00 0.00 C ATOM 1155 O GLU B 15 -5.717 7.644 -0.963 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.349 6.981 -4.276 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.591 7.639 -5.437 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.437 7.582 -6.711 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.383 8.349 -6.813 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.122 6.777 -7.568 1.00 0.00 O ATOM 0 H GLU B 15 -3.442 5.510 -3.882 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.206 8.157 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.521 5.927 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.328 7.446 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.359 8.675 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.641 7.129 -5.598 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.646 5.492 -1.521 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.384 5.023 -0.287 1.00 0.00 C ATOM 1169 C ILE B 16 -5.535 5.365 0.972 1.00 0.00 C ATOM 1170 O ILE B 16 -6.062 5.626 2.037 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.530 3.484 -0.462 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.488 3.181 -1.627 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.087 2.839 0.815 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.338 1.727 -2.088 1.00 0.00 C ATOM 0 H ILE B 16 -5.375 4.742 -2.157 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.357 5.499 -0.163 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.542 3.072 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.516 3.365 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.281 3.855 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.180 1.763 0.668 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.410 3.035 1.647 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.067 3.261 1.038 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.024 1.534 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.314 1.554 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.568 1.057 -1.260 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.219 5.370 0.816 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.260 5.697 1.936 1.00 0.00 C ATOM 1188 C VAL B 17 -3.402 7.163 2.374 1.00 0.00 C ATOM 1189 O VAL B 17 -3.249 7.468 3.544 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.838 5.440 1.347 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.748 6.254 2.061 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.485 3.967 1.454 1.00 0.00 C ATOM 0 H VAL B 17 -3.760 5.154 -0.069 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.455 5.090 2.820 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.873 5.755 0.304 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.221 6.037 1.612 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.964 7.318 1.962 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.726 5.985 3.117 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.491 3.800 1.040 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.497 3.665 2.501 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.213 3.377 0.898 1.00 0.00 H new ATOM 1202 N THR B 18 -3.637 8.077 1.448 1.00 0.00 N ATOM 1203 CA THR B 18 -3.717 9.515 1.850 1.00 0.00 C ATOM 1204 C THR B 18 -4.758 10.328 1.048 1.00 0.00 C ATOM 1205 O THR B 18 -4.499 11.477 0.712 1.00 0.00 O ATOM 1206 CB THR B 18 -2.272 10.043 1.648 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.156 11.364 2.175 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.883 10.039 0.157 1.00 0.00 C ATOM 0 H THR B 18 -3.773 7.888 0.455 1.00 0.00 H new ATOM 0 HA THR B 18 -4.065 9.622 2.877 1.00 0.00 H new ATOM 0 HB THR B 18 -1.591 9.379 2.181 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.851 11.934 1.784 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.866 10.414 0.045 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.940 9.022 -0.231 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.568 10.678 -0.400 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.954 9.795 0.773 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.964 10.650 0.051 1.00 0.00 C ATOM 1218 C LEU B 19 -7.335 11.861 0.980 1.00 0.00 C ATOM 1219 O LEU B 19 -6.909 11.893 2.126 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.156 9.749 -0.453 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.918 8.933 0.600 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -8.152 7.663 1.027 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -9.239 9.820 1.778 1.00 0.00 C ATOM 0 H LEU B 19 -6.254 8.849 1.009 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.572 11.097 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.872 10.393 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.763 9.056 -1.197 1.00 0.00 H new ATOM 0 HG LEU B 19 -9.849 8.579 0.157 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -8.733 7.121 1.773 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -7.992 7.025 0.158 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -7.189 7.945 1.452 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -9.781 9.245 2.529 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.313 10.201 2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -9.855 10.656 1.447 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.996 12.872 0.443 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.251 14.144 1.217 1.00 0.00 C ATOM 1237 C PRO B 20 -8.933 14.021 2.602 1.00 0.00 C ATOM 1238 O PRO B 20 -8.715 14.891 3.428 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.072 14.995 0.242 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.666 14.010 -0.701 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.606 12.957 -0.893 1.00 0.00 C ATOM 0 HA PRO B 20 -7.297 14.577 1.518 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.844 15.562 0.763 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.444 15.717 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.581 13.578 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.929 14.481 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.033 12.004 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.880 13.246 -1.653 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.749 13.018 2.887 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.413 12.981 4.261 1.00 0.00 C ATOM 1251 C ASN B 21 -10.439 11.591 4.947 1.00 0.00 C ATOM 1252 O ASN B 21 -11.349 11.325 5.720 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.860 13.434 4.018 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.935 14.889 3.531 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.260 15.758 4.041 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.761 15.186 2.570 1.00 0.00 N ATOM 0 H ASN B 21 -9.982 12.248 2.260 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.838 13.614 4.937 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.325 12.781 3.280 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.432 13.331 4.940 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.841 16.150 2.246 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.329 14.455 2.141 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.482 10.708 4.722 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.544 9.369 5.430 1.00 0.00 C ATOM 1265 C LEU B 22 -8.710 9.373 6.710 1.00 0.00 C ATOM 1266 O LEU B 22 -7.749 10.116 6.844 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.964 8.311 4.494 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.721 6.989 4.658 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.841 6.908 3.619 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.747 5.831 4.447 1.00 0.00 C ATOM 0 H LEU B 22 -8.685 10.845 4.101 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.582 9.162 5.690 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.032 8.652 3.461 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.906 8.163 4.712 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.153 6.933 5.657 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.379 5.967 3.736 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.530 7.740 3.761 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.413 6.959 2.618 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.276 4.885 4.562 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.323 5.890 3.445 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.946 5.890 5.184 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.048 8.494 7.620 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.255 8.362 8.894 1.00 0.00 C ATOM 1284 C ASN B 23 -7.285 7.164 8.775 1.00 0.00 C ATOM 1285 O ASN B 23 -7.470 6.296 7.938 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.266 8.200 10.056 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.170 6.963 9.893 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.777 5.966 9.333 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.379 6.988 10.381 1.00 0.00 N ATOM 0 H ASN B 23 -9.841 7.857 7.541 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.642 9.242 9.086 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.722 8.125 10.997 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.888 9.093 10.118 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.983 6.172 10.288 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.720 7.824 10.855 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.233 7.142 9.571 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.202 6.039 9.478 1.00 0.00 C ATOM 1298 C ASP B 24 -5.746 4.584 9.649 1.00 0.00 C ATOM 1299 O ASP B 24 -5.228 3.704 8.983 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.093 6.369 10.510 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.607 6.305 11.953 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.127 7.307 12.423 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.463 5.261 12.568 1.00 0.00 O ATOM 0 H ASP B 24 -6.041 7.844 10.286 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.819 6.026 8.458 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.267 5.669 10.389 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.698 7.365 10.311 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.736 4.332 10.514 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.234 2.927 10.682 1.00 0.00 C ATOM 1310 C PRO B 25 -8.024 2.424 9.451 1.00 0.00 C ATOM 1311 O PRO B 25 -7.906 1.264 9.086 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.138 3.005 11.911 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.581 4.428 11.976 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.473 5.263 11.396 1.00 0.00 C ATOM 0 HA PRO B 25 -6.412 2.220 10.792 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.989 2.331 11.818 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.601 2.717 12.815 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.505 4.570 11.415 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.786 4.721 13.006 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.866 6.113 10.838 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.828 5.666 12.177 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.827 3.269 8.808 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.613 2.797 7.612 1.00 0.00 C ATOM 1324 C GLN B 26 -8.670 2.471 6.452 1.00 0.00 C ATOM 1325 O GLN B 26 -8.751 1.393 5.905 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.592 3.924 7.250 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.703 3.981 8.311 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.793 4.976 7.898 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.965 4.666 7.975 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.470 6.167 7.472 1.00 0.00 N ATOM 0 H GLN B 26 -8.965 4.248 9.060 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.162 1.882 7.832 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.067 4.878 7.203 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.022 3.747 6.264 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.138 2.990 8.443 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.281 4.274 9.272 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.488 6.436 7.404 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.199 6.829 7.207 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.752 3.368 6.110 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.767 3.070 5.001 1.00 0.00 C ATOM 1341 C LYS B 27 -5.961 1.814 5.327 1.00 0.00 C ATOM 1342 O LYS B 27 -5.646 1.044 4.449 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.804 4.260 4.841 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.320 4.841 6.182 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.652 6.195 5.931 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.709 7.260 5.593 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.239 8.517 6.247 1.00 0.00 N ATOM 0 H LYS B 27 -7.645 4.283 6.547 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.319 2.907 4.075 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.939 3.942 4.258 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.301 5.046 4.272 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.161 4.958 6.866 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.616 4.157 6.656 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.089 6.499 6.814 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.938 6.109 5.112 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.802 7.391 4.515 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.691 6.969 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.035 9.180 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.862 8.297 7.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.492 8.951 5.668 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.638 1.610 6.587 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.867 0.389 6.995 1.00 0.00 C ATOM 1363 C LYS B 28 -5.636 -0.870 6.566 1.00 0.00 C ATOM 1364 O LYS B 28 -5.158 -1.630 5.751 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.768 0.457 8.532 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.327 0.719 8.946 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.609 -0.614 9.147 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.128 -0.466 8.778 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.401 -1.489 9.592 1.00 0.00 N ATOM 0 H LYS B 28 -5.877 2.241 7.352 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.881 0.349 6.532 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.415 1.248 8.912 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.117 -0.478 8.970 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.818 1.308 8.182 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.301 1.301 9.867 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.705 -0.936 10.184 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.072 -1.384 8.530 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.972 -0.632 7.712 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.768 0.539 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.624 -1.329 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.691 -1.410 10.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.630 -2.440 9.239 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.843 -1.069 7.076 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.664 -2.265 6.660 1.00 0.00 C ATOM 1385 C ALA B 29 -7.938 -2.218 5.141 1.00 0.00 C ATOM 1386 O ALA B 29 -8.010 -3.241 4.486 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.975 -2.159 7.446 1.00 0.00 C ATOM 0 H ALA B 29 -7.290 -0.457 7.758 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.149 -3.204 6.865 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.621 -2.999 7.191 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.761 -2.177 8.515 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.477 -1.225 7.192 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.074 -1.022 4.593 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.323 -0.844 3.121 1.00 0.00 C ATOM 1395 C PHE B 30 -7.152 -1.370 2.298 1.00 0.00 C ATOM 1396 O PHE B 30 -7.326 -2.164 1.398 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.423 0.673 2.920 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.778 1.048 2.423 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.039 0.999 1.061 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.768 1.455 3.323 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.301 1.354 0.587 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.026 1.816 2.851 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.294 1.765 1.483 1.00 0.00 C ATOM 0 H PHE B 30 -8.021 -0.149 5.117 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.215 -1.384 2.804 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.221 1.184 3.861 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.665 1.002 2.209 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.268 0.687 0.372 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.557 1.489 4.382 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.512 1.312 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.793 2.135 3.542 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.270 2.043 1.115 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.962 -0.921 2.607 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.757 -1.385 1.867 1.00 0.00 C ATOM 1415 C ILE B 31 -4.563 -2.881 2.119 1.00 0.00 C ATOM 1416 O ILE B 31 -4.221 -3.624 1.222 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.591 -0.583 2.455 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.568 0.817 1.802 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.245 -1.324 2.239 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.146 1.266 1.567 1.00 0.00 C ATOM 0 H ILE B 31 -5.776 -0.246 3.349 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.837 -1.238 0.790 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.729 -0.475 3.531 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.109 0.793 0.856 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.081 1.533 2.444 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.433 -0.735 2.665 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.283 -2.297 2.729 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.072 -1.461 1.172 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.148 2.254 1.106 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.616 1.310 2.519 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.646 0.558 0.906 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.772 -3.316 3.347 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.608 -4.759 3.680 1.00 0.00 C ATOM 1434 C PHE B 32 -5.616 -5.590 2.853 1.00 0.00 C ATOM 1435 O PHE B 32 -5.279 -6.672 2.399 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.803 -4.863 5.210 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.503 -4.479 5.935 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.835 -3.234 5.676 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.922 -5.383 6.869 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.660 -2.936 6.334 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.729 -5.048 7.499 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.110 -3.837 7.235 1.00 0.00 C ATOM 0 H PHE B 32 -5.050 -2.724 4.130 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.627 -5.161 3.425 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.613 -4.206 5.527 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.093 -5.879 5.479 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.252 -2.533 4.968 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.406 -6.324 7.087 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.164 -1.995 6.147 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.281 -5.737 8.200 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.186 -3.591 7.737 1.00 0.00 H new ATOM 1452 N SER B 33 -6.816 -5.065 2.566 1.00 0.00 N ATOM 1453 CA SER B 33 -7.767 -5.820 1.673 1.00 0.00 C ATOM 1454 C SER B 33 -7.340 -5.606 0.195 1.00 0.00 C ATOM 1455 O SER B 33 -7.466 -6.497 -0.621 1.00 0.00 O ATOM 1456 CB SER B 33 -9.178 -5.277 1.955 1.00 0.00 C ATOM 1457 OG SER B 33 -9.284 -3.928 1.535 1.00 0.00 O ATOM 0 H SER B 33 -7.159 -4.168 2.909 1.00 0.00 H new ATOM 0 HA SER B 33 -7.754 -6.893 1.863 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.919 -5.885 1.435 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.396 -5.350 3.020 1.00 0.00 H new ATOM 0 HG SER B 33 -8.442 -3.462 1.717 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.779 -4.438 -0.127 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.260 -4.152 -1.520 1.00 0.00 C ATOM 1465 C LEU B 34 -5.099 -5.114 -1.827 1.00 0.00 C ATOM 1466 O LEU B 34 -4.989 -5.628 -2.924 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.781 -2.677 -1.468 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.994 -2.270 -2.715 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.943 -2.006 -3.889 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.204 -0.989 -2.421 1.00 0.00 C ATOM 0 H LEU B 34 -6.661 -3.666 0.530 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.007 -4.293 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.645 -2.022 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.157 -2.532 -0.586 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.317 -3.082 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.365 -1.718 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.510 -2.911 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.630 -1.202 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.642 -0.696 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.894 -0.190 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.514 -1.168 -1.597 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.255 -5.370 -0.848 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.114 -6.312 -1.035 1.00 0.00 C ATOM 1484 C TRP B 35 -3.610 -7.764 -1.191 1.00 0.00 C ATOM 1485 O TRP B 35 -3.163 -8.484 -2.066 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.275 -6.209 0.233 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.051 -7.015 0.009 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.818 -8.229 0.535 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.074 -6.716 -0.844 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.397 -8.680 0.082 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.992 -7.778 -0.764 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.395 -5.627 -1.660 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.182 -7.755 -1.469 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.589 -5.605 -2.369 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.479 -6.660 -2.271 1.00 0.00 C ATOM 0 H TRP B 35 -4.316 -4.957 0.083 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.552 -6.058 -1.933 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.020 -5.170 0.443 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.830 -6.582 1.094 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.478 -8.762 1.204 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.808 -9.577 0.343 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.291 -4.797 -1.740 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.874 -8.581 -1.397 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.824 -4.760 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.408 -6.632 -2.820 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.511 -8.193 -0.321 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.035 -9.593 -0.370 1.00 0.00 C ATOM 1508 C ASP B 36 -5.925 -9.790 -1.596 1.00 0.00 C ATOM 1509 O ASP B 36 -5.844 -10.809 -2.262 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.846 -9.771 0.925 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.050 -11.262 1.210 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.189 -11.846 1.846 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.062 -11.794 0.786 1.00 0.00 O ATOM 0 H ASP B 36 -4.904 -7.619 0.425 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.231 -10.325 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.325 -9.300 1.759 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.812 -9.274 0.831 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.773 -8.822 -1.900 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.667 -8.952 -3.080 1.00 0.00 C ATOM 1520 C ASP B 37 -7.616 -7.675 -3.941 1.00 0.00 C ATOM 1521 O ASP B 37 -8.574 -6.914 -3.976 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.098 -9.198 -2.535 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.089 -10.226 -1.389 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.983 -11.406 -1.677 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.188 -9.807 -0.246 1.00 0.00 O ATOM 0 H ASP B 37 -6.875 -7.954 -1.374 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.353 -9.777 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.521 -8.258 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.741 -9.553 -3.341 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.508 -7.489 -4.652 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.369 -6.313 -5.560 1.00 0.00 C ATOM 1532 C PRO B 38 -7.365 -6.374 -6.737 1.00 0.00 C ATOM 1533 O PRO B 38 -7.490 -5.414 -7.467 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.937 -6.393 -6.051 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.578 -7.835 -5.906 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.290 -8.317 -4.678 1.00 0.00 C ATOM 0 HA PRO B 38 -6.589 -5.375 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.853 -6.064 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.278 -5.757 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.885 -8.404 -6.784 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.500 -7.961 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.526 -9.379 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.687 -8.176 -3.781 1.00 0.00 H new ATOM 1544 N SER B 39 -8.113 -7.461 -6.900 1.00 0.00 N ATOM 1545 CA SER B 39 -9.149 -7.506 -7.993 1.00 0.00 C ATOM 1546 C SER B 39 -10.133 -6.343 -7.749 1.00 0.00 C ATOM 1547 O SER B 39 -10.621 -5.720 -8.675 1.00 0.00 O ATOM 1548 CB SER B 39 -9.860 -8.853 -7.844 1.00 0.00 C ATOM 1549 OG SER B 39 -10.096 -9.410 -9.132 1.00 0.00 O ATOM 0 H SER B 39 -8.048 -8.304 -6.329 1.00 0.00 H new ATOM 0 HA SER B 39 -8.726 -7.408 -8.993 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.252 -9.533 -7.248 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.804 -8.722 -7.314 1.00 0.00 H new ATOM 0 HG SER B 39 -10.550 -10.273 -9.037 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.370 -6.029 -6.480 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.258 -4.881 -6.099 1.00 0.00 C ATOM 1557 C GLN B 40 -10.416 -3.592 -5.924 1.00 0.00 C ATOM 1558 O GLN B 40 -10.875 -2.661 -5.303 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.882 -5.226 -4.720 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.257 -6.711 -4.571 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.139 -7.190 -5.732 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.933 -8.378 -6.233 1.00 0.00 O flip ATOM 1563 NE2 GLN B 40 -14.025 -6.489 -6.181 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.974 -6.534 -5.687 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.013 -4.721 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.177 -4.957 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.774 -4.617 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.350 -7.314 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.783 -6.861 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.188 -5.561 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.606 -6.829 -6.947 1.00 0.00 H new ATOM 1572 N SER B 41 -9.181 -3.535 -6.424 1.00 0.00 N ATOM 1573 CA SER B 41 -8.320 -2.307 -6.228 1.00 0.00 C ATOM 1574 C SER B 41 -8.991 -1.044 -6.785 1.00 0.00 C ATOM 1575 O SER B 41 -8.952 0.001 -6.160 1.00 0.00 O ATOM 1576 CB SER B 41 -7.012 -2.572 -6.958 1.00 0.00 C ATOM 1577 OG SER B 41 -7.247 -2.722 -8.356 1.00 0.00 O ATOM 0 H SER B 41 -8.740 -4.286 -6.956 1.00 0.00 H new ATOM 0 HA SER B 41 -8.160 -2.129 -5.165 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.318 -1.749 -6.785 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.543 -3.473 -6.562 1.00 0.00 H new ATOM 0 HG SER B 41 -6.617 -3.375 -8.725 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.637 -1.145 -7.939 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.356 0.039 -8.522 1.00 0.00 C ATOM 1585 C ALA B 42 -11.474 0.442 -7.556 1.00 0.00 C ATOM 1586 O ALA B 42 -11.622 1.598 -7.199 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.961 -0.461 -9.836 1.00 0.00 C ATOM 0 H ALA B 42 -9.693 -1.998 -8.496 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.704 0.897 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.503 0.352 -10.319 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.165 -0.808 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.647 -1.283 -9.631 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.230 -0.543 -7.110 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.327 -0.313 -6.134 1.00 0.00 C ATOM 1595 C ASN B 43 -12.762 0.150 -4.776 1.00 0.00 C ATOM 1596 O ASN B 43 -13.395 0.921 -4.093 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.029 -1.669 -6.003 1.00 0.00 C ATOM 1598 CG ASN B 43 -14.935 -1.907 -7.215 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.971 -1.286 -7.345 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -14.588 -2.788 -8.117 1.00 0.00 N ATOM 0 H ASN B 43 -12.121 -1.516 -7.396 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.011 0.470 -6.462 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.289 -2.466 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.619 -1.696 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -15.187 -2.952 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -13.719 -3.311 -8.011 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.575 -0.310 -4.390 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.964 0.108 -3.080 1.00 0.00 C ATOM 1609 C LEU B 44 -10.567 1.574 -3.135 1.00 0.00 C ATOM 1610 O LEU B 44 -10.911 2.352 -2.274 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.729 -0.779 -2.914 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.104 -2.008 -2.097 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.244 -3.198 -2.530 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.871 -1.685 -0.619 1.00 0.00 C ATOM 0 H LEU B 44 -11.008 -0.959 -4.935 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.656 -0.004 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.347 -1.079 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.933 -0.225 -2.416 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.150 -2.270 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.515 -4.076 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.412 -3.403 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.192 -2.964 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.133 -2.551 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.822 -1.436 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.492 -0.838 -0.329 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.868 1.937 -4.171 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.448 3.356 -4.372 1.00 0.00 C ATOM 1628 C LEU B 45 -10.691 4.253 -4.367 1.00 0.00 C ATOM 1629 O LEU B 45 -10.740 5.251 -3.673 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.751 3.375 -5.747 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.507 4.817 -6.211 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.923 5.644 -5.069 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.533 4.808 -7.391 1.00 0.00 C ATOM 0 H LEU B 45 -9.562 1.298 -4.905 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.784 3.722 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.802 2.842 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.365 2.851 -6.479 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.454 5.261 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.754 6.666 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.620 5.651 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.977 5.207 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.356 5.831 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.589 4.359 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.959 4.228 -8.210 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.705 3.867 -5.107 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.970 4.657 -5.136 1.00 0.00 C ATOM 1647 C ALA B 46 -13.610 4.652 -3.739 1.00 0.00 C ATOM 1648 O ALA B 46 -13.997 5.686 -3.234 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.860 3.923 -6.132 1.00 0.00 C ATOM 0 H ALA B 46 -11.706 3.033 -5.694 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.814 5.698 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.816 4.440 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.374 3.901 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.027 2.903 -5.787 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.685 3.488 -3.112 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.262 3.375 -1.731 1.00 0.00 C ATOM 1657 C GLU B 47 -13.466 4.242 -0.741 1.00 0.00 C ATOM 1658 O GLU B 47 -14.019 4.772 0.199 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.140 1.890 -1.347 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.145 1.558 -0.233 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.577 1.615 -0.786 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.943 0.719 -1.532 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.278 2.559 -0.459 1.00 0.00 O ATOM 0 H GLU B 47 -13.365 2.605 -3.509 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.296 3.719 -1.703 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.328 1.263 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.126 1.674 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.941 0.566 0.169 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.035 2.264 0.590 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.171 4.385 -0.964 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.312 5.223 -0.061 1.00 0.00 C ATOM 1672 C ALA B 48 -11.750 6.691 -0.162 1.00 0.00 C ATOM 1673 O ALA B 48 -12.079 7.309 0.834 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.878 5.032 -0.573 1.00 0.00 C ATOM 0 H ALA B 48 -11.673 3.951 -1.741 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.393 4.936 0.987 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.192 5.616 0.040 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.608 3.977 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.814 5.366 -1.608 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.788 7.235 -1.366 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.246 8.653 -1.555 1.00 0.00 C ATOM 1682 C LYS B 49 -13.711 8.798 -1.107 1.00 0.00 C ATOM 1683 O LYS B 49 -14.051 9.726 -0.398 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.101 8.934 -3.052 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.646 9.329 -3.355 1.00 0.00 C ATOM 1686 CD LYS B 49 -9.912 8.202 -4.093 1.00 0.00 C ATOM 1687 CE LYS B 49 -10.501 7.999 -5.503 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.495 8.576 -6.447 1.00 0.00 N ATOM 0 H LYS B 49 -11.520 6.754 -2.224 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.662 9.357 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.378 8.051 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.777 9.735 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.630 10.235 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.126 9.558 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -8.851 8.440 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.991 7.276 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -10.670 6.942 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -11.464 8.501 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.986 9.014 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.929 9.296 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.869 7.820 -6.792 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.563 7.864 -1.492 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.011 7.909 -1.062 1.00 0.00 C ATOM 1704 C LYS B 50 -16.103 7.885 0.475 1.00 0.00 C ATOM 1705 O LYS B 50 -16.889 8.606 1.062 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.664 6.651 -1.652 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.781 6.782 -3.174 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.349 5.480 -3.746 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.289 5.515 -5.279 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.445 4.092 -5.714 1.00 0.00 N ATOM 0 H LYS B 50 -14.318 7.072 -2.086 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.507 8.816 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.071 5.772 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.652 6.506 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.429 7.620 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.804 6.990 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.781 4.629 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.379 5.346 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.082 6.141 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.343 5.931 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.413 4.041 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.673 3.521 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.357 3.724 -5.377 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.275 7.079 1.125 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.271 7.018 2.624 1.00 0.00 C ATOM 1726 C LEU B 51 -14.786 8.360 3.198 1.00 0.00 C ATOM 1727 O LEU B 51 -15.354 8.858 4.158 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.321 5.867 2.991 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.179 5.741 4.517 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.566 5.679 5.180 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.401 4.463 4.835 1.00 0.00 C ATOM 0 H LEU B 51 -14.602 6.461 0.672 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.264 6.843 3.037 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.699 4.932 2.578 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.342 6.040 2.543 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.648 6.610 4.904 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.449 5.590 6.260 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.121 6.588 4.949 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.112 4.815 4.802 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.293 4.362 5.915 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.940 3.601 4.442 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.414 4.514 4.375 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.771 8.965 2.594 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.285 10.302 3.069 1.00 0.00 C ATOM 1745 C ASN B 52 -14.445 11.310 2.989 1.00 0.00 C ATOM 1746 O ASN B 52 -14.588 12.159 3.845 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.088 10.663 2.133 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.390 11.730 1.037 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.098 12.694 1.236 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.812 11.630 -0.118 1.00 0.00 N ATOM 0 H ASN B 52 -13.265 8.584 1.795 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.951 10.308 4.107 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.264 11.023 2.749 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.745 9.752 1.643 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.959 12.349 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.210 10.832 -0.319 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.265 11.198 1.954 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.421 12.125 1.778 1.00 0.00 C ATOM 1759 C ASP B 53 -17.433 11.970 2.928 1.00 0.00 C ATOM 1760 O ASP B 53 -18.077 12.928 3.319 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.071 11.725 0.447 1.00 0.00 C ATOM 1762 CG ASP B 53 -17.982 12.855 -0.042 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.478 13.758 -0.691 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.169 12.796 0.235 1.00 0.00 O ATOM 0 H ASP B 53 -15.171 10.493 1.223 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.097 13.166 1.781 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.302 11.517 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.648 10.809 0.574 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.569 10.767 3.473 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.533 10.538 4.601 1.00 0.00 C ATOM 1771 C ALA B 54 -18.067 11.286 5.862 1.00 0.00 C ATOM 1772 O ALA B 54 -18.872 11.820 6.606 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.518 9.022 4.822 1.00 0.00 C ATOM 0 H ALA B 54 -17.050 9.940 3.179 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.534 10.906 4.378 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.199 8.766 5.634 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.836 8.518 3.909 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.509 8.702 5.081 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.768 11.344 6.084 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.206 12.068 7.267 1.00 0.00 C ATOM 1781 C GLN B 55 -16.095 13.574 6.970 1.00 0.00 C ATOM 1782 O GLN B 55 -16.276 14.399 7.849 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.817 11.446 7.464 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.960 10.024 8.019 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.595 9.342 8.000 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.121 8.867 9.011 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.935 9.281 6.878 1.00 0.00 N ATOM 0 H GLN B 55 -16.067 10.911 5.482 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.831 11.975 8.155 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.280 11.424 6.516 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.229 12.056 8.149 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.351 10.055 9.036 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.673 9.456 7.420 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.335 9.681 6.029 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.019 8.834 6.849 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.777 13.927 5.735 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.617 15.367 5.349 1.00 0.00 C ATOM 1798 C ALA B 56 -15.870 15.561 3.840 1.00 0.00 C ATOM 1799 O ALA B 56 -15.658 14.649 3.075 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.158 15.654 5.663 1.00 0.00 C ATOM 0 H ALA B 56 -15.621 13.266 4.974 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.316 16.021 5.870 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.930 16.691 5.416 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.974 15.485 6.724 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.522 14.992 5.075 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.287 16.754 3.452 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.538 17.041 2.008 1.00 0.00 C ATOM 1808 C PRO B 57 -15.205 17.094 1.237 1.00 0.00 C ATOM 1809 O PRO B 57 -14.208 17.590 1.743 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.220 18.404 2.023 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.766 19.044 3.293 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.553 17.934 4.290 1.00 0.00 C ATOM 0 HA PRO B 57 -17.143 16.280 1.516 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -16.934 18.999 1.156 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.305 18.304 1.997 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -15.844 19.604 3.135 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.511 19.752 3.656 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.716 18.149 4.955 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.431 17.788 4.919 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.188 16.588 0.024 1.00 0.00 N ATOM 1821 CA LYS B 58 -13.922 16.600 -0.798 1.00 0.00 C ATOM 1822 C LYS B 58 -13.583 18.031 -1.255 1.00 0.00 C ATOM 1823 O LYS B 58 -12.454 18.442 -1.040 1.00 0.00 O ATOM 1824 CB LYS B 58 -14.190 15.693 -2.011 1.00 0.00 C ATOM 1825 CG LYS B 58 -14.280 14.228 -1.567 1.00 0.00 C ATOM 1826 CD LYS B 58 -14.462 13.335 -2.799 1.00 0.00 C ATOM 1827 CE LYS B 58 -14.770 11.897 -2.357 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.174 11.629 -2.795 1.00 0.00 N ATOM 1829 OXT LYS B 58 -14.454 18.691 -1.809 1.00 0.00 O ATOM 0 H LYS B 58 -15.994 16.166 -0.436 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.071 16.244 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -15.118 15.990 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -13.393 15.810 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -13.376 13.943 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.116 14.095 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -15.273 13.716 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -13.559 13.352 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.076 11.191 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -14.670 11.790 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.456 10.675 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -16.811 12.330 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.233 11.695 -3.831 1.00 0.00 H new TER 1843 LYS B 58