USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 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= -2.69! C(o=-9!,f=-11!) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.31! C(o=-9!,f=-17!) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=0.39,f=0.34) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -153:sc= 0.392 (180deg=0.154) USER MOD Set 3.1: B 23 ASN : amide:sc= -2.85 K(o=-8.1,f=-20!) USER MOD Set 3.2: B 26 GLN : amide:sc= -4.2! C(o=-8.1!,f=-8.8!) USER MOD Set 3.3: B 55 GLN : amide:sc= -1.08 X(o=-8.1,f=-8.3) USER MOD Set 4.1: B 7 LYS NZ :NH3+ -114:sc=-0.000106 (180deg=-0.138) USER MOD Set 4.2: B 10 SER OG : rot -95:sc= -0.136 USER MOD Set 5.1: B 4 LYS NZ :NH3+ 172:sc= 0.448 (180deg=0.416) USER MOD Set 5.2: B 6 ASN : amide:sc= -6.13! C(o=-5.7!,f=-7.4!) USER MOD Set 6.1: A 23 ASN : amide:sc= 0.134 K(o=-2.5,f=-13!) USER MOD Set 6.2: A 26 GLN : amide:sc= -0.455 K(o=-2.5,f=-7.2!) USER MOD Set 6.3: A 55 GLN : amide:sc= -2.14 K(o=-2.5,f=-3.7) USER MOD Set 7.1: A 14 TYR OH : rot 180:sc= -0.636 USER MOD Set 7.2: A 18 HIS : no HD1:sc= -22.5! C(o=-23!,f=-21!) USER MOD Single : A 1 VAL N :NH3+ 151:sc= -0.591 (180deg=-0.995) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0.442 (180deg=0.275) USER MOD Single : A 6 ASN : amide:sc= -0.54 X(o=-0.54,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= -1.77 K(o=-1.8,f=-7.9!) USER MOD Single : A 21 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 28 ASN : amide:sc= -2.95! C(o=-3!,f=-6.5!) USER MOD Single : A 32 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.1) USER MOD Single : A 33 SER OG : rot 8:sc= 0.186 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.895 (180deg=0.785) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.547 K(o=-0.55,f=-3.3!) USER MOD Single : A 41 SER OG : rot -96:sc= 0.684 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.09! C(o=-1.1!,f=-10!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -173:sc= -0.0338 (180deg=-0.109) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : B 18 THR OG1 : rot -49:sc= 0.468 USER MOD Single : B 27 LYS NZ :NH3+ -162:sc= 0.262 (180deg=0.107) USER MOD Single : B 33 SER OG : rot -42:sc= -0.16 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : B 41 SER OG : rot -97:sc= -1.65 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= 0.16 (180deg=0.0993) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc= -0.393 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.055 -18.575 1.697 1.00 0.00 N ATOM 2 CA VAL A 1 2.175 -18.678 2.702 1.00 0.00 C ATOM 3 C VAL A 1 1.627 -19.030 4.102 1.00 0.00 C ATOM 4 O VAL A 1 0.426 -19.140 4.298 1.00 0.00 O ATOM 5 CB VAL A 1 2.901 -17.304 2.738 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.721 -17.112 1.458 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.897 -16.145 2.880 1.00 0.00 C ATOM 0 H1 VAL A 1 1.320 -17.902 0.950 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.880 -19.509 1.275 1.00 0.00 H new ATOM 0 H3 VAL A 1 0.192 -18.243 2.172 1.00 0.00 H new ATOM 0 HA VAL A 1 2.865 -19.471 2.413 1.00 0.00 H new ATOM 0 HB VAL A 1 3.562 -17.297 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.227 -16.147 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.462 -17.907 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.058 -17.145 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.436 -15.198 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.211 -16.152 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.333 -16.263 3.805 1.00 0.00 H new ATOM 19 N ASP A 2 2.507 -19.202 5.070 1.00 0.00 N ATOM 20 CA ASP A 2 2.067 -19.546 6.470 1.00 0.00 C ATOM 21 C ASP A 2 1.428 -18.318 7.158 1.00 0.00 C ATOM 22 O ASP A 2 1.287 -17.267 6.552 1.00 0.00 O ATOM 23 CB ASP A 2 3.354 -19.998 7.202 1.00 0.00 C ATOM 24 CG ASP A 2 4.215 -18.785 7.613 1.00 0.00 C ATOM 25 OD1 ASP A 2 4.828 -18.184 6.742 1.00 0.00 O ATOM 26 OD2 ASP A 2 4.241 -18.483 8.793 1.00 0.00 O ATOM 0 H ASP A 2 3.516 -19.118 4.949 1.00 0.00 H new ATOM 0 HA ASP A 2 1.307 -20.328 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.089 -20.576 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.933 -20.656 6.554 1.00 0.00 H new ATOM 31 N ASN A 3 1.060 -18.443 8.422 1.00 0.00 N ATOM 32 CA ASN A 3 0.444 -17.284 9.159 1.00 0.00 C ATOM 33 C ASN A 3 1.547 -16.283 9.570 1.00 0.00 C ATOM 34 O ASN A 3 1.916 -16.175 10.730 1.00 0.00 O ATOM 35 CB ASN A 3 -0.252 -17.904 10.384 1.00 0.00 C ATOM 36 CG ASN A 3 -1.215 -16.885 11.006 1.00 0.00 C ATOM 37 OD1 ASN A 3 -2.247 -16.585 10.440 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.921 -16.332 12.153 1.00 0.00 N ATOM 0 H ASN A 3 1.161 -19.297 8.971 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.269 -16.726 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.798 -18.800 10.089 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.492 -18.211 11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.557 -15.652 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.056 -16.581 12.632 1.00 0.00 H new ATOM 45 N LYS A 4 2.072 -15.559 8.601 1.00 0.00 N ATOM 46 CA LYS A 4 3.157 -14.556 8.860 1.00 0.00 C ATOM 47 C LYS A 4 3.294 -13.625 7.644 1.00 0.00 C ATOM 48 O LYS A 4 2.991 -12.449 7.729 1.00 0.00 O ATOM 49 CB LYS A 4 4.435 -15.391 9.079 1.00 0.00 C ATOM 50 CG LYS A 4 5.669 -14.480 9.205 1.00 0.00 C ATOM 51 CD LYS A 4 6.894 -15.313 9.603 1.00 0.00 C ATOM 52 CE LYS A 4 7.289 -16.253 8.451 1.00 0.00 C ATOM 53 NZ LYS A 4 7.160 -17.639 8.993 1.00 0.00 N ATOM 0 H LYS A 4 1.786 -15.625 7.624 1.00 0.00 H new ATOM 0 HA LYS A 4 2.953 -13.921 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.330 -15.995 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.571 -16.081 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.855 -13.972 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.486 -13.707 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.727 -14.655 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.673 -15.894 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.639 -16.109 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.308 -16.057 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.662 -18.303 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.573 -17.679 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.155 -17.901 9.040 1.00 0.00 H new ATOM 67 N PHE A 5 3.749 -14.151 6.519 1.00 0.00 N ATOM 68 CA PHE A 5 3.922 -13.314 5.286 1.00 0.00 C ATOM 69 C PHE A 5 2.587 -12.741 4.786 1.00 0.00 C ATOM 70 O PHE A 5 2.573 -11.681 4.194 1.00 0.00 O ATOM 71 CB PHE A 5 4.562 -14.229 4.226 1.00 0.00 C ATOM 72 CG PHE A 5 5.955 -14.638 4.672 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.875 -13.669 5.100 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.316 -15.991 4.673 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.149 -14.053 5.526 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.590 -16.374 5.102 1.00 0.00 C ATOM 77 CZ PHE A 5 8.506 -15.405 5.529 1.00 0.00 C ATOM 0 H PHE A 5 4.008 -15.131 6.408 1.00 0.00 H new ATOM 0 HA PHE A 5 4.552 -12.450 5.499 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.944 -15.114 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.614 -13.710 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.598 -12.625 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.610 -16.739 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.858 -13.306 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.868 -17.418 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.490 -15.702 5.861 1.00 0.00 H new ATOM 87 N ASN A 6 1.466 -13.421 5.019 1.00 0.00 N ATOM 88 CA ASN A 6 0.132 -12.883 4.548 1.00 0.00 C ATOM 89 C ASN A 6 -0.060 -11.428 5.018 1.00 0.00 C ATOM 90 O ASN A 6 -0.392 -10.568 4.220 1.00 0.00 O ATOM 91 CB ASN A 6 -0.942 -13.794 5.168 1.00 0.00 C ATOM 92 CG ASN A 6 -0.988 -15.142 4.433 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.783 -16.176 5.030 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.263 -15.177 3.154 1.00 0.00 N ATOM 0 H ASN A 6 1.422 -14.314 5.509 1.00 0.00 H new ATOM 0 HA ASN A 6 0.069 -12.879 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.726 -13.955 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.916 -13.309 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.304 -16.071 2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.437 -14.310 2.646 1.00 0.00 H new ATOM 101 N LYS A 7 0.192 -11.139 6.287 1.00 0.00 N ATOM 102 CA LYS A 7 0.062 -9.726 6.773 1.00 0.00 C ATOM 103 C LYS A 7 1.405 -8.987 6.701 1.00 0.00 C ATOM 104 O LYS A 7 1.404 -7.797 6.539 1.00 0.00 O ATOM 105 CB LYS A 7 -0.463 -9.774 8.199 1.00 0.00 C ATOM 106 CG LYS A 7 -0.383 -8.377 8.820 1.00 0.00 C ATOM 107 CD LYS A 7 -0.894 -8.451 10.238 1.00 0.00 C ATOM 108 CE LYS A 7 -0.644 -7.117 10.953 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.090 -7.328 12.364 1.00 0.00 N ATOM 0 H LYS A 7 0.478 -11.817 6.993 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.630 -9.174 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.494 -10.128 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.121 -10.480 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.645 -8.015 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.977 -7.671 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.960 -8.680 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.394 -9.259 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.410 -6.842 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.203 -6.309 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.946 -6.453 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.099 -7.581 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.536 -8.097 12.792 1.00 0.00 H new ATOM 123 N GLU A 8 2.545 -9.660 6.792 1.00 0.00 N ATOM 124 CA GLU A 8 3.852 -8.914 6.668 1.00 0.00 C ATOM 125 C GLU A 8 3.865 -8.230 5.309 1.00 0.00 C ATOM 126 O GLU A 8 4.243 -7.089 5.198 1.00 0.00 O ATOM 127 CB GLU A 8 4.999 -9.924 6.733 1.00 0.00 C ATOM 128 CG GLU A 8 5.239 -10.389 8.171 1.00 0.00 C ATOM 129 CD GLU A 8 5.551 -9.188 9.083 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.533 -8.506 8.829 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.805 -8.982 10.025 1.00 0.00 O ATOM 0 H GLU A 8 2.624 -10.666 6.943 1.00 0.00 H new ATOM 0 HA GLU A 8 3.963 -8.181 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.768 -10.783 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.909 -9.473 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.359 -10.915 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.067 -11.097 8.197 1.00 0.00 H new ATOM 138 N GLN A 9 3.375 -8.916 4.289 1.00 0.00 N ATOM 139 CA GLN A 9 3.262 -8.299 2.943 1.00 0.00 C ATOM 140 C GLN A 9 2.225 -7.164 3.027 1.00 0.00 C ATOM 141 O GLN A 9 2.421 -6.114 2.480 1.00 0.00 O ATOM 142 CB GLN A 9 2.752 -9.388 1.996 1.00 0.00 C ATOM 143 CG GLN A 9 3.802 -10.469 1.748 1.00 0.00 C ATOM 144 CD GLN A 9 3.156 -11.592 0.929 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.685 -12.566 1.481 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.098 -11.492 -0.374 1.00 0.00 N ATOM 0 H GLN A 9 3.051 -9.881 4.346 1.00 0.00 H new ATOM 0 HA GLN A 9 4.214 -7.900 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.855 -9.843 2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.465 -8.937 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.656 -10.053 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.177 -10.858 2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.492 -10.675 -0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.658 -12.231 -0.923 1.00 0.00 H new ATOM 155 N GLN A 10 1.140 -7.385 3.755 1.00 0.00 N ATOM 156 CA GLN A 10 0.071 -6.336 3.952 1.00 0.00 C ATOM 157 C GLN A 10 0.652 -5.124 4.698 1.00 0.00 C ATOM 158 O GLN A 10 0.434 -3.994 4.307 1.00 0.00 O ATOM 159 CB GLN A 10 -1.000 -7.038 4.801 1.00 0.00 C ATOM 160 CG GLN A 10 -2.381 -6.855 4.166 1.00 0.00 C ATOM 161 CD GLN A 10 -2.950 -8.198 3.678 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.417 -8.303 2.566 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.967 -9.232 4.480 1.00 0.00 N ATOM 0 H GLN A 10 0.949 -8.268 4.230 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.332 -5.960 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.769 -8.100 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.999 -6.629 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.062 -6.410 4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.310 -6.161 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.576 -9.155 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.371 -10.114 4.166 1.00 0.00 H new ATOM 172 N ASN A 11 1.401 -5.365 5.757 1.00 0.00 N ATOM 173 CA ASN A 11 2.031 -4.255 6.539 1.00 0.00 C ATOM 174 C ASN A 11 3.151 -3.623 5.719 1.00 0.00 C ATOM 175 O ASN A 11 3.234 -2.422 5.622 1.00 0.00 O ATOM 176 CB ASN A 11 2.605 -4.905 7.806 1.00 0.00 C ATOM 177 CG ASN A 11 2.911 -3.818 8.843 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.022 -3.340 9.517 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.139 -3.397 8.993 1.00 0.00 N ATOM 0 H ASN A 11 1.602 -6.300 6.113 1.00 0.00 H new ATOM 0 HA ASN A 11 1.314 -3.472 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.893 -5.622 8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.512 -5.459 7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.349 -2.668 9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.888 -3.797 8.428 1.00 0.00 H new ATOM 186 N ALA A 12 3.999 -4.437 5.110 1.00 0.00 N ATOM 187 CA ALA A 12 5.104 -3.891 4.260 1.00 0.00 C ATOM 188 C ALA A 12 4.490 -3.124 3.093 1.00 0.00 C ATOM 189 O ALA A 12 4.915 -2.035 2.786 1.00 0.00 O ATOM 190 CB ALA A 12 5.892 -5.095 3.746 1.00 0.00 C ATOM 0 H ALA A 12 3.967 -5.455 5.170 1.00 0.00 H new ATOM 0 HA ALA A 12 5.754 -3.215 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.713 -4.751 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.292 -5.656 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.234 -5.738 3.162 1.00 0.00 H new ATOM 196 N PHE A 13 3.451 -3.677 2.490 1.00 0.00 N ATOM 197 CA PHE A 13 2.734 -2.980 1.375 1.00 0.00 C ATOM 198 C PHE A 13 2.245 -1.635 1.902 1.00 0.00 C ATOM 199 O PHE A 13 2.599 -0.597 1.380 1.00 0.00 O ATOM 200 CB PHE A 13 1.533 -3.897 1.025 1.00 0.00 C ATOM 201 CG PHE A 13 0.564 -3.196 0.112 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.022 -2.578 -1.045 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.801 -3.208 0.404 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.122 -1.971 -1.907 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.704 -2.593 -0.458 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.244 -1.978 -1.612 1.00 0.00 C ATOM 0 H PHE A 13 3.071 -4.592 2.731 1.00 0.00 H new ATOM 0 HA PHE A 13 3.358 -2.803 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.894 -4.808 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.023 -4.198 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.078 -2.571 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.157 -3.695 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.477 -1.492 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.759 -2.595 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.943 -1.503 -2.285 1.00 0.00 H new ATOM 216 N TYR A 14 1.462 -1.677 2.961 1.00 0.00 N ATOM 217 CA TYR A 14 0.932 -0.435 3.585 1.00 0.00 C ATOM 218 C TYR A 14 2.066 0.545 3.916 1.00 0.00 C ATOM 219 O TYR A 14 2.036 1.675 3.496 1.00 0.00 O ATOM 220 CB TYR A 14 0.280 -0.911 4.867 1.00 0.00 C ATOM 221 CG TYR A 14 -0.414 0.243 5.521 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.680 0.623 5.091 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.202 0.926 6.571 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.330 1.653 5.694 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.462 1.983 7.193 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.738 2.350 6.759 1.00 0.00 C ATOM 227 OH TYR A 14 -2.412 3.397 7.364 1.00 0.00 O ATOM 0 H TYR A 14 1.168 -2.539 3.420 1.00 0.00 H new ATOM 0 HA TYR A 14 0.246 0.092 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.434 -1.707 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.031 -1.328 5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.150 0.097 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.189 0.637 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.313 1.938 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.008 2.515 8.007 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.860 3.769 8.083 1.00 0.00 H new ATOM 237 N GLU A 15 3.069 0.108 4.655 1.00 0.00 N ATOM 238 CA GLU A 15 4.208 1.018 5.012 1.00 0.00 C ATOM 239 C GLU A 15 4.883 1.537 3.737 1.00 0.00 C ATOM 240 O GLU A 15 5.140 2.713 3.637 1.00 0.00 O ATOM 241 CB GLU A 15 5.177 0.185 5.857 1.00 0.00 C ATOM 242 CG GLU A 15 4.553 -0.169 7.226 1.00 0.00 C ATOM 243 CD GLU A 15 4.214 1.108 8.012 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.122 1.884 8.279 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.051 1.289 8.329 1.00 0.00 O ATOM 0 H GLU A 15 3.144 -0.840 5.024 1.00 0.00 H new ATOM 0 HA GLU A 15 3.870 1.892 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.436 -0.730 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.103 0.740 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.650 -0.762 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.247 -0.783 7.800 1.00 0.00 H new ATOM 252 N ILE A 16 5.110 0.684 2.742 1.00 0.00 N ATOM 253 CA ILE A 16 5.708 1.170 1.438 1.00 0.00 C ATOM 254 C ILE A 16 4.845 2.332 0.899 1.00 0.00 C ATOM 255 O ILE A 16 5.359 3.378 0.534 1.00 0.00 O ATOM 256 CB ILE A 16 5.708 -0.070 0.503 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.026 -0.824 0.725 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.578 0.321 -0.976 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.805 -2.320 0.562 1.00 0.00 C ATOM 0 H ILE A 16 4.909 -0.315 2.778 1.00 0.00 H new ATOM 0 HA ILE A 16 6.721 1.560 1.534 1.00 0.00 H new ATOM 0 HB ILE A 16 4.848 -0.694 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.776 -0.479 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.412 -0.612 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.583 -0.578 -1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.643 0.861 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.416 0.959 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.746 -2.846 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.070 -2.661 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.440 -2.526 -0.444 1.00 0.00 H new ATOM 271 N LEU A 17 3.537 2.159 0.898 1.00 0.00 N ATOM 272 CA LEU A 17 2.608 3.259 0.438 1.00 0.00 C ATOM 273 C LEU A 17 2.602 4.436 1.447 1.00 0.00 C ATOM 274 O LEU A 17 2.547 5.584 1.063 1.00 0.00 O ATOM 275 CB LEU A 17 1.193 2.652 0.392 1.00 0.00 C ATOM 276 CG LEU A 17 1.116 1.499 -0.612 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.408 0.315 0.003 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.290 1.879 -1.807 1.00 0.00 C ATOM 0 H LEU A 17 3.070 1.303 1.196 1.00 0.00 H new ATOM 0 HA LEU A 17 2.931 3.639 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.916 2.293 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.473 3.423 0.120 1.00 0.00 H new ATOM 0 HG LEU A 17 2.142 1.263 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.360 -0.497 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.955 -0.018 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.603 0.604 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.252 1.042 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.721 2.130 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.739 2.741 -2.300 1.00 0.00 H new ATOM 290 N HIS A 18 2.633 4.157 2.734 1.00 0.00 N ATOM 291 CA HIS A 18 2.592 5.255 3.768 1.00 0.00 C ATOM 292 C HIS A 18 3.974 5.902 4.023 1.00 0.00 C ATOM 293 O HIS A 18 4.060 6.860 4.777 1.00 0.00 O ATOM 294 CB HIS A 18 2.026 4.598 5.043 1.00 0.00 C ATOM 295 CG HIS A 18 0.534 4.395 4.880 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.405 5.311 5.338 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.199 3.416 4.256 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.618 4.852 4.968 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.533 3.734 4.300 1.00 0.00 N ATOM 0 H HIS A 18 2.685 3.213 3.116 1.00 0.00 H new ATOM 0 HA HIS A 18 1.970 6.081 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.517 3.642 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.227 5.227 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.213 2.528 3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.549 5.350 5.197 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.303 3.204 3.893 1.00 0.00 H new ATOM 307 N LEU A 19 5.047 5.428 3.395 1.00 0.00 N ATOM 308 CA LEU A 19 6.392 6.072 3.610 1.00 0.00 C ATOM 309 C LEU A 19 6.391 7.461 2.929 1.00 0.00 C ATOM 310 O LEU A 19 6.067 7.564 1.756 1.00 0.00 O ATOM 311 CB LEU A 19 7.440 5.144 2.962 1.00 0.00 C ATOM 312 CG LEU A 19 7.861 4.034 3.945 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.760 3.023 3.223 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.626 4.628 5.135 1.00 0.00 C ATOM 0 H LEU A 19 5.043 4.635 2.754 1.00 0.00 H new ATOM 0 HA LEU A 19 6.618 6.210 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.029 4.699 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.313 5.724 2.664 1.00 0.00 H new ATOM 0 HG LEU A 19 6.963 3.538 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.057 2.238 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.214 2.581 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.649 3.530 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.915 3.829 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.520 5.138 4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.988 5.340 5.659 1.00 0.00 H new ATOM 326 N PRO A 20 6.721 8.492 3.696 1.00 0.00 N ATOM 327 CA PRO A 20 6.718 9.897 3.167 1.00 0.00 C ATOM 328 C PRO A 20 7.739 10.144 2.031 1.00 0.00 C ATOM 329 O PRO A 20 7.559 11.071 1.260 1.00 0.00 O ATOM 330 CB PRO A 20 7.052 10.741 4.399 1.00 0.00 C ATOM 331 CG PRO A 20 7.768 9.809 5.315 1.00 0.00 C ATOM 332 CD PRO A 20 7.132 8.464 5.113 1.00 0.00 C ATOM 0 HA PRO A 20 5.761 10.141 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.676 11.595 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.149 11.137 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.833 9.776 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.676 10.133 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.833 7.654 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.279 8.319 5.776 1.00 0.00 H new ATOM 340 N ASN A 21 8.795 9.353 1.912 1.00 0.00 N ATOM 341 CA ASN A 21 9.791 9.593 0.813 1.00 0.00 C ATOM 342 C ASN A 21 9.678 8.549 -0.319 1.00 0.00 C ATOM 343 O ASN A 21 10.487 8.552 -1.234 1.00 0.00 O ATOM 344 CB ASN A 21 11.162 9.553 1.497 1.00 0.00 C ATOM 345 CG ASN A 21 11.343 10.817 2.348 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.467 11.902 1.819 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.354 10.726 3.650 1.00 0.00 N ATOM 0 H ASN A 21 9.003 8.563 2.523 1.00 0.00 H new ATOM 0 HA ASN A 21 9.615 10.549 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.243 8.665 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.952 9.488 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.467 11.565 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.250 9.816 4.099 1.00 0.00 H new ATOM 354 N LEU A 22 8.668 7.686 -0.300 1.00 0.00 N ATOM 355 CA LEU A 22 8.506 6.696 -1.413 1.00 0.00 C ATOM 356 C LEU A 22 7.530 7.246 -2.457 1.00 0.00 C ATOM 357 O LEU A 22 6.526 7.862 -2.126 1.00 0.00 O ATOM 358 CB LEU A 22 7.957 5.387 -0.798 1.00 0.00 C ATOM 359 CG LEU A 22 9.050 4.583 -0.053 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.686 3.099 -0.094 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.419 4.748 -0.718 1.00 0.00 C ATOM 0 H LEU A 22 7.962 7.633 0.434 1.00 0.00 H new ATOM 0 HA LEU A 22 9.459 6.509 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.149 5.624 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.529 4.769 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 22 9.104 4.956 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.450 2.523 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.722 2.947 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.627 2.767 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.162 4.170 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.369 4.391 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.702 5.801 -0.713 1.00 0.00 H new ATOM 373 N ASN A 23 7.818 7.009 -3.714 1.00 0.00 N ATOM 374 CA ASN A 23 6.919 7.491 -4.823 1.00 0.00 C ATOM 375 C ASN A 23 6.404 6.303 -5.630 1.00 0.00 C ATOM 376 O ASN A 23 6.609 5.168 -5.255 1.00 0.00 O ATOM 377 CB ASN A 23 7.743 8.454 -5.706 1.00 0.00 C ATOM 378 CG ASN A 23 9.090 7.841 -6.135 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.184 6.662 -6.404 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.144 8.607 -6.217 1.00 0.00 N ATOM 0 H ASN A 23 8.644 6.498 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 23 6.049 8.012 -4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.166 8.715 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.924 9.380 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.039 8.213 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.072 9.599 -5.992 1.00 0.00 H new ATOM 387 N GLU A 24 5.731 6.549 -6.733 1.00 0.00 N ATOM 388 CA GLU A 24 5.192 5.407 -7.551 1.00 0.00 C ATOM 389 C GLU A 24 6.331 4.506 -8.053 1.00 0.00 C ATOM 390 O GLU A 24 6.141 3.325 -8.203 1.00 0.00 O ATOM 391 CB GLU A 24 4.406 6.018 -8.719 1.00 0.00 C ATOM 392 CG GLU A 24 3.556 4.913 -9.371 1.00 0.00 C ATOM 393 CD GLU A 24 2.724 5.486 -10.522 1.00 0.00 C ATOM 394 OE1 GLU A 24 1.714 6.112 -10.245 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.100 5.271 -11.664 1.00 0.00 O ATOM 0 H GLU A 24 5.533 7.480 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 24 4.541 4.774 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.767 6.826 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.090 6.450 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.204 4.119 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.898 4.465 -8.626 1.00 0.00 H new ATOM 402 N GLU A 25 7.514 5.040 -8.290 1.00 0.00 N ATOM 403 CA GLU A 25 8.645 4.172 -8.759 1.00 0.00 C ATOM 404 C GLU A 25 9.118 3.241 -7.619 1.00 0.00 C ATOM 405 O GLU A 25 9.207 2.043 -7.801 1.00 0.00 O ATOM 406 CB GLU A 25 9.767 5.136 -9.179 1.00 0.00 C ATOM 407 CG GLU A 25 10.929 4.346 -9.806 1.00 0.00 C ATOM 408 CD GLU A 25 10.503 3.770 -11.164 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.374 4.541 -12.103 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.321 2.565 -11.242 1.00 0.00 O ATOM 0 H GLU A 25 7.741 6.028 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 25 8.344 3.529 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.384 5.865 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.121 5.695 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.794 4.996 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.232 3.539 -9.139 1.00 0.00 H new ATOM 417 N GLN A 26 9.411 3.789 -6.452 1.00 0.00 N ATOM 418 CA GLN A 26 9.883 2.945 -5.289 1.00 0.00 C ATOM 419 C GLN A 26 8.731 2.158 -4.652 1.00 0.00 C ATOM 420 O GLN A 26 8.836 0.960 -4.468 1.00 0.00 O ATOM 421 CB GLN A 26 10.480 3.933 -4.282 1.00 0.00 C ATOM 422 CG GLN A 26 11.829 4.456 -4.804 1.00 0.00 C ATOM 423 CD GLN A 26 11.807 5.989 -4.901 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.224 6.546 -5.894 1.00 0.00 O ATOM 425 NE2 GLN A 26 11.340 6.697 -3.907 1.00 0.00 N ATOM 0 H GLN A 26 9.344 4.787 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 26 10.609 2.201 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.794 4.765 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.617 3.445 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.632 4.139 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.039 4.026 -5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.988 6.232 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.327 7.715 -3.968 1.00 0.00 H new ATOM 434 N ARG A 27 7.645 2.824 -4.309 1.00 0.00 N ATOM 435 CA ARG A 27 6.482 2.123 -3.663 1.00 0.00 C ATOM 436 C ARG A 27 5.906 1.007 -4.570 1.00 0.00 C ATOM 437 O ARG A 27 5.677 -0.092 -4.109 1.00 0.00 O ATOM 438 CB ARG A 27 5.424 3.222 -3.434 1.00 0.00 C ATOM 439 CG ARG A 27 4.087 2.614 -2.974 1.00 0.00 C ATOM 440 CD ARG A 27 2.934 3.604 -3.228 1.00 0.00 C ATOM 441 NE ARG A 27 3.022 3.998 -4.675 1.00 0.00 N ATOM 442 CZ ARG A 27 2.965 5.267 -5.026 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.722 6.156 -4.431 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.166 5.641 -5.998 1.00 0.00 N ATOM 0 H ARG A 27 7.516 3.826 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 27 6.786 1.634 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.784 3.927 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.274 3.785 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.900 1.683 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.137 2.368 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.971 3.143 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.023 4.477 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 27 3.127 3.279 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.361 5.868 -3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.672 7.136 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.591 4.950 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.120 6.623 -6.271 1.00 0.00 H new ATOM 458 N ASN A 28 5.663 1.284 -5.848 1.00 0.00 N ATOM 459 CA ASN A 28 5.096 0.226 -6.760 1.00 0.00 C ATOM 460 C ASN A 28 6.103 -0.900 -6.972 1.00 0.00 C ATOM 461 O ASN A 28 5.738 -2.054 -6.928 1.00 0.00 O ATOM 462 CB ASN A 28 4.806 0.914 -8.085 1.00 0.00 C ATOM 463 CG ASN A 28 4.166 -0.069 -9.071 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.479 -0.993 -8.681 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.379 0.089 -10.346 1.00 0.00 N ATOM 0 H ASN A 28 5.833 2.188 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 28 4.198 -0.216 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.140 1.762 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.730 1.310 -8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.970 -0.562 -11.016 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.955 0.864 -10.675 1.00 0.00 H new ATOM 472 N ALA A 29 7.370 -0.569 -7.172 1.00 0.00 N ATOM 473 CA ALA A 29 8.416 -1.637 -7.349 1.00 0.00 C ATOM 474 C ALA A 29 8.390 -2.549 -6.130 1.00 0.00 C ATOM 475 O ALA A 29 8.500 -3.757 -6.242 1.00 0.00 O ATOM 476 CB ALA A 29 9.736 -0.901 -7.389 1.00 0.00 C ATOM 0 H ALA A 29 7.718 0.388 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 29 8.254 -2.237 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.548 -1.617 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.736 -0.200 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.877 -0.355 -6.456 1.00 0.00 H new ATOM 482 N PHE A 30 8.198 -1.958 -4.967 1.00 0.00 N ATOM 483 CA PHE A 30 8.098 -2.748 -3.714 1.00 0.00 C ATOM 484 C PHE A 30 6.871 -3.614 -3.765 1.00 0.00 C ATOM 485 O PHE A 30 6.942 -4.774 -3.488 1.00 0.00 O ATOM 486 CB PHE A 30 7.983 -1.721 -2.596 1.00 0.00 C ATOM 487 CG PHE A 30 9.359 -1.226 -2.227 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.474 -2.065 -2.375 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.516 0.054 -1.707 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.723 -1.627 -2.008 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.779 0.486 -1.325 1.00 0.00 C ATOM 492 CZ PHE A 30 11.884 -0.366 -1.479 1.00 0.00 C ATOM 0 H PHE A 30 8.107 -0.950 -4.843 1.00 0.00 H new ATOM 0 HA PHE A 30 8.956 -3.404 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.358 -0.887 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.499 -2.166 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.350 -3.059 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.662 0.707 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.580 -2.272 -2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.911 1.475 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.866 -0.030 -1.181 1.00 0.00 H new ATOM 502 N ILE A 31 5.763 -3.057 -4.166 1.00 0.00 N ATOM 503 CA ILE A 31 4.514 -3.858 -4.299 1.00 0.00 C ATOM 504 C ILE A 31 4.716 -4.944 -5.377 1.00 0.00 C ATOM 505 O ILE A 31 4.149 -6.009 -5.276 1.00 0.00 O ATOM 506 CB ILE A 31 3.441 -2.832 -4.658 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.256 -1.907 -3.455 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.132 -3.536 -4.956 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.588 -0.615 -3.880 1.00 0.00 C ATOM 0 H ILE A 31 5.668 -2.071 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 31 4.229 -4.399 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 31 3.742 -2.265 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.652 -2.404 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.224 -1.692 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.372 -2.798 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.269 -4.220 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.813 -4.097 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.463 0.033 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.208 -0.112 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.612 -0.835 -4.312 1.00 0.00 H new ATOM 521 N GLN A 32 5.568 -4.703 -6.372 1.00 0.00 N ATOM 522 CA GLN A 32 5.843 -5.758 -7.403 1.00 0.00 C ATOM 523 C GLN A 32 6.691 -6.879 -6.755 1.00 0.00 C ATOM 524 O GLN A 32 6.357 -8.042 -6.848 1.00 0.00 O ATOM 525 CB GLN A 32 6.590 -5.050 -8.545 1.00 0.00 C ATOM 526 CG GLN A 32 5.603 -4.157 -9.314 1.00 0.00 C ATOM 527 CD GLN A 32 6.352 -3.324 -10.358 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.766 -2.217 -10.081 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.540 -3.806 -11.558 1.00 0.00 N ATOM 0 H GLN A 32 6.074 -3.827 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 32 4.937 -6.226 -7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.407 -4.450 -8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.034 -5.785 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.848 -4.773 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.079 -3.500 -8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.193 -4.736 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.033 -3.252 -12.258 1.00 0.00 H new ATOM 538 N SER A 33 7.754 -6.514 -6.049 1.00 0.00 N ATOM 539 CA SER A 33 8.615 -7.526 -5.322 1.00 0.00 C ATOM 540 C SER A 33 7.871 -8.118 -4.098 1.00 0.00 C ATOM 541 O SER A 33 8.145 -9.222 -3.676 1.00 0.00 O ATOM 542 CB SER A 33 9.866 -6.752 -4.880 1.00 0.00 C ATOM 543 OG SER A 33 9.487 -5.567 -4.196 1.00 0.00 O ATOM 0 H SER A 33 8.063 -5.548 -5.946 1.00 0.00 H new ATOM 0 HA SER A 33 8.866 -8.372 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.479 -7.376 -4.230 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.475 -6.501 -5.749 1.00 0.00 H new ATOM 0 HG SER A 33 8.517 -5.567 -4.055 1.00 0.00 H new ATOM 549 N LEU A 34 6.949 -7.367 -3.534 1.00 0.00 N ATOM 550 CA LEU A 34 6.165 -7.810 -2.331 1.00 0.00 C ATOM 551 C LEU A 34 5.006 -8.744 -2.740 1.00 0.00 C ATOM 552 O LEU A 34 4.825 -9.793 -2.146 1.00 0.00 O ATOM 553 CB LEU A 34 5.668 -6.475 -1.742 1.00 0.00 C ATOM 554 CG LEU A 34 4.950 -6.650 -0.409 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.947 -6.956 0.685 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.238 -5.349 -0.063 1.00 0.00 C ATOM 0 H LEU A 34 6.701 -6.436 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 34 6.743 -8.393 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.516 -5.804 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.994 -5.998 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 34 4.239 -7.472 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.422 -7.079 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.481 -7.875 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.659 -6.135 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.720 -5.460 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.968 -4.544 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.516 -5.111 -0.844 1.00 0.00 H new ATOM 568 N LYS A 35 4.228 -8.376 -3.754 1.00 0.00 N ATOM 569 CA LYS A 35 3.085 -9.253 -4.209 1.00 0.00 C ATOM 570 C LYS A 35 3.637 -10.541 -4.849 1.00 0.00 C ATOM 571 O LYS A 35 3.096 -11.613 -4.640 1.00 0.00 O ATOM 572 CB LYS A 35 2.262 -8.416 -5.222 1.00 0.00 C ATOM 573 CG LYS A 35 1.145 -7.662 -4.508 1.00 0.00 C ATOM 574 CD LYS A 35 -0.169 -7.819 -5.277 1.00 0.00 C ATOM 575 CE LYS A 35 -1.340 -7.776 -4.290 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.795 -9.193 -4.148 1.00 0.00 N ATOM 0 H LYS A 35 4.339 -7.509 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 35 2.452 -9.561 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.915 -7.710 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.838 -9.070 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.029 -8.043 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.403 -6.606 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.270 -7.022 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.173 -8.762 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.029 -7.366 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.144 -7.141 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.477 -9.262 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.249 -9.502 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.976 -9.802 -3.948 1.00 0.00 H new ATOM 590 N ASP A 36 4.723 -10.446 -5.603 1.00 0.00 N ATOM 591 CA ASP A 36 5.330 -11.670 -6.234 1.00 0.00 C ATOM 592 C ASP A 36 6.160 -12.475 -5.205 1.00 0.00 C ATOM 593 O ASP A 36 6.124 -13.693 -5.211 1.00 0.00 O ATOM 594 CB ASP A 36 6.226 -11.161 -7.388 1.00 0.00 C ATOM 595 CG ASP A 36 5.387 -10.500 -8.512 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.230 -10.855 -8.684 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.934 -9.655 -9.200 1.00 0.00 O ATOM 0 H ASP A 36 5.210 -9.573 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 36 4.557 -12.345 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.947 -10.441 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.797 -11.993 -7.800 1.00 0.00 H new ATOM 602 N ASP A 37 6.898 -11.807 -4.322 1.00 0.00 N ATOM 603 CA ASP A 37 7.721 -12.544 -3.293 1.00 0.00 C ATOM 604 C ASP A 37 7.212 -12.241 -1.865 1.00 0.00 C ATOM 605 O ASP A 37 7.482 -11.177 -1.325 1.00 0.00 O ATOM 606 CB ASP A 37 9.167 -12.048 -3.472 1.00 0.00 C ATOM 607 CG ASP A 37 10.143 -13.105 -2.933 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.184 -13.290 -1.724 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.831 -13.709 -3.736 1.00 0.00 O ATOM 0 H ASP A 37 6.962 -10.790 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 37 7.651 -13.623 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.369 -11.856 -4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.307 -11.105 -2.943 1.00 0.00 H new ATOM 614 N PRO A 38 6.484 -13.193 -1.297 1.00 0.00 N ATOM 615 CA PRO A 38 5.929 -13.030 0.081 1.00 0.00 C ATOM 616 C PRO A 38 7.027 -13.042 1.170 1.00 0.00 C ATOM 617 O PRO A 38 6.946 -12.294 2.127 1.00 0.00 O ATOM 618 CB PRO A 38 5.007 -14.241 0.232 1.00 0.00 C ATOM 619 CG PRO A 38 5.555 -15.258 -0.709 1.00 0.00 C ATOM 620 CD PRO A 38 6.100 -14.493 -1.875 1.00 0.00 C ATOM 0 HA PRO A 38 5.424 -12.072 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.005 -14.611 1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.977 -13.987 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.336 -15.850 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.778 -15.953 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.955 -15.000 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.353 -14.376 -2.661 1.00 0.00 H new ATOM 628 N SER A 39 8.030 -13.893 1.040 1.00 0.00 N ATOM 629 CA SER A 39 9.126 -13.971 2.078 1.00 0.00 C ATOM 630 C SER A 39 9.949 -12.673 2.154 1.00 0.00 C ATOM 631 O SER A 39 10.370 -12.277 3.227 1.00 0.00 O ATOM 632 CB SER A 39 10.015 -15.147 1.657 1.00 0.00 C ATOM 633 OG SER A 39 9.263 -16.355 1.709 1.00 0.00 O ATOM 0 H SER A 39 8.137 -14.539 0.258 1.00 0.00 H new ATOM 0 HA SER A 39 8.701 -14.111 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.395 -14.986 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.880 -15.216 2.316 1.00 0.00 H new ATOM 0 HG SER A 39 9.831 -17.106 1.438 1.00 0.00 H new ATOM 639 N GLN A 40 10.177 -12.008 1.034 1.00 0.00 N ATOM 640 CA GLN A 40 10.973 -10.731 1.052 1.00 0.00 C ATOM 641 C GLN A 40 10.134 -9.541 1.567 1.00 0.00 C ATOM 642 O GLN A 40 10.646 -8.453 1.666 1.00 0.00 O ATOM 643 CB GLN A 40 11.373 -10.484 -0.415 1.00 0.00 C ATOM 644 CG GLN A 40 12.585 -9.549 -0.480 1.00 0.00 C ATOM 645 CD GLN A 40 12.878 -9.192 -1.940 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.202 -8.365 -2.521 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.857 -9.786 -2.568 1.00 0.00 N ATOM 0 H GLN A 40 9.846 -12.296 0.113 1.00 0.00 H new ATOM 0 HA GLN A 40 11.831 -10.818 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.608 -11.431 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.536 -10.046 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.390 -8.644 0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.454 -10.031 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.426 -10.480 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.052 -9.556 -3.542 1.00 0.00 H new ATOM 656 N SER A 41 8.851 -9.721 1.852 1.00 0.00 N ATOM 657 CA SER A 41 7.985 -8.568 2.295 1.00 0.00 C ATOM 658 C SER A 41 8.564 -7.760 3.466 1.00 0.00 C ATOM 659 O SER A 41 8.638 -6.550 3.365 1.00 0.00 O ATOM 660 CB SER A 41 6.630 -9.182 2.677 1.00 0.00 C ATOM 661 OG SER A 41 6.777 -10.038 3.806 1.00 0.00 O ATOM 0 H SER A 41 8.370 -10.619 1.796 1.00 0.00 H new ATOM 0 HA SER A 41 7.907 -7.845 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.915 -8.391 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.228 -9.745 1.835 1.00 0.00 H new ATOM 0 HG SER A 41 6.879 -10.964 3.503 1.00 0.00 H new ATOM 667 N ALA A 42 8.972 -8.376 4.563 1.00 0.00 N ATOM 668 CA ALA A 42 9.554 -7.552 5.684 1.00 0.00 C ATOM 669 C ALA A 42 10.782 -6.798 5.178 1.00 0.00 C ATOM 670 O ALA A 42 10.894 -5.604 5.365 1.00 0.00 O ATOM 671 CB ALA A 42 10.005 -8.524 6.739 1.00 0.00 C ATOM 0 H ALA A 42 8.929 -9.382 4.727 1.00 0.00 H new ATOM 0 HA ALA A 42 8.822 -6.839 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.436 -7.977 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.151 -9.106 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.755 -9.195 6.319 1.00 0.00 H new ATOM 677 N ASN A 43 11.679 -7.498 4.499 1.00 0.00 N ATOM 678 CA ASN A 43 12.890 -6.845 3.909 1.00 0.00 C ATOM 679 C ASN A 43 12.449 -5.740 2.967 1.00 0.00 C ATOM 680 O ASN A 43 13.065 -4.713 2.911 1.00 0.00 O ATOM 681 CB ASN A 43 13.592 -7.909 3.082 1.00 0.00 C ATOM 682 CG ASN A 43 14.674 -8.601 3.915 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.543 -9.762 4.252 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.745 -7.940 4.266 1.00 0.00 N ATOM 0 H ASN A 43 11.615 -8.502 4.332 1.00 0.00 H new ATOM 0 HA ASN A 43 13.533 -6.433 4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.867 -8.644 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.039 -7.456 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.468 -8.398 4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.858 -6.966 3.985 1.00 0.00 H new ATOM 691 N LEU A 44 11.370 -5.966 2.239 1.00 0.00 N ATOM 692 CA LEU A 44 10.842 -4.938 1.297 1.00 0.00 C ATOM 693 C LEU A 44 10.393 -3.737 2.051 1.00 0.00 C ATOM 694 O LEU A 44 10.695 -2.627 1.661 1.00 0.00 O ATOM 695 CB LEU A 44 9.682 -5.575 0.571 1.00 0.00 C ATOM 696 CG LEU A 44 10.256 -6.454 -0.506 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.115 -7.174 -1.193 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.041 -5.565 -1.474 1.00 0.00 C ATOM 0 H LEU A 44 10.833 -6.833 2.265 1.00 0.00 H new ATOM 0 HA LEU A 44 11.608 -4.613 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.072 -6.160 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.033 -4.813 0.140 1.00 0.00 H new ATOM 0 HG LEU A 44 10.935 -7.206 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.511 -7.817 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.576 -7.780 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.435 -6.443 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.469 -6.179 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.372 -4.823 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.842 -5.059 -0.935 1.00 0.00 H new ATOM 710 N LEU A 45 9.723 -3.933 3.157 1.00 0.00 N ATOM 711 CA LEU A 45 9.358 -2.746 3.942 1.00 0.00 C ATOM 712 C LEU A 45 10.647 -2.161 4.499 1.00 0.00 C ATOM 713 O LEU A 45 10.870 -1.006 4.359 1.00 0.00 O ATOM 714 CB LEU A 45 8.426 -3.196 5.044 1.00 0.00 C ATOM 715 CG LEU A 45 8.274 -2.080 6.084 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.979 -0.744 5.381 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.132 -2.446 7.026 1.00 0.00 C ATOM 0 H LEU A 45 9.427 -4.835 3.531 1.00 0.00 H new ATOM 0 HA LEU A 45 8.852 -1.984 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.452 -3.452 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.817 -4.097 5.518 1.00 0.00 H new ATOM 0 HG LEU A 45 9.198 -1.971 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.872 0.044 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.800 -0.498 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.055 -0.830 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.011 -1.661 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.209 -2.550 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.359 -3.389 7.524 1.00 0.00 H new ATOM 729 N ALA A 46 11.511 -2.967 5.083 1.00 0.00 N ATOM 730 CA ALA A 46 12.816 -2.431 5.615 1.00 0.00 C ATOM 731 C ALA A 46 13.583 -1.673 4.530 1.00 0.00 C ATOM 732 O ALA A 46 14.098 -0.614 4.791 1.00 0.00 O ATOM 733 CB ALA A 46 13.643 -3.649 5.973 1.00 0.00 C ATOM 0 H ALA A 46 11.371 -3.969 5.214 1.00 0.00 H new ATOM 0 HA ALA A 46 12.632 -1.758 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.608 -3.331 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.119 -4.236 6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.798 -4.258 5.082 1.00 0.00 H new ATOM 739 N GLU A 47 13.653 -2.201 3.318 1.00 0.00 N ATOM 740 CA GLU A 47 14.370 -1.470 2.233 1.00 0.00 C ATOM 741 C GLU A 47 13.537 -0.244 1.867 1.00 0.00 C ATOM 742 O GLU A 47 14.089 0.802 1.641 1.00 0.00 O ATOM 743 CB GLU A 47 14.630 -2.432 1.063 1.00 0.00 C ATOM 744 CG GLU A 47 13.370 -3.010 0.483 1.00 0.00 C ATOM 745 CD GLU A 47 13.753 -4.189 -0.423 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.867 -5.293 0.092 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.943 -3.975 -1.607 1.00 0.00 O ATOM 0 H GLU A 47 13.246 -3.096 3.046 1.00 0.00 H new ATOM 0 HA GLU A 47 15.351 -1.112 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.174 -1.904 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.272 -3.244 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.704 -3.343 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.832 -2.252 -0.087 1.00 0.00 H new ATOM 754 N ALA A 48 12.208 -0.334 1.886 1.00 0.00 N ATOM 755 CA ALA A 48 11.383 0.882 1.651 1.00 0.00 C ATOM 756 C ALA A 48 11.609 1.880 2.818 1.00 0.00 C ATOM 757 O ALA A 48 11.719 3.071 2.605 1.00 0.00 O ATOM 758 CB ALA A 48 9.959 0.358 1.652 1.00 0.00 C ATOM 0 H ALA A 48 11.683 -1.192 2.053 1.00 0.00 H new ATOM 0 HA ALA A 48 11.625 1.409 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.267 1.184 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.842 -0.379 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.743 -0.107 2.614 1.00 0.00 H new ATOM 764 N LYS A 49 11.740 1.366 4.041 1.00 0.00 N ATOM 765 CA LYS A 49 12.036 2.209 5.250 1.00 0.00 C ATOM 766 C LYS A 49 13.432 2.810 5.061 1.00 0.00 C ATOM 767 O LYS A 49 13.679 3.976 5.311 1.00 0.00 O ATOM 768 CB LYS A 49 12.056 1.211 6.433 1.00 0.00 C ATOM 769 CG LYS A 49 10.657 0.706 6.778 1.00 0.00 C ATOM 770 CD LYS A 49 9.741 1.868 7.112 1.00 0.00 C ATOM 771 CE LYS A 49 8.513 1.332 7.848 1.00 0.00 C ATOM 772 NZ LYS A 49 8.342 2.199 9.052 1.00 0.00 N ATOM 0 H LYS A 49 11.650 0.370 4.244 1.00 0.00 H new ATOM 0 HA LYS A 49 11.317 3.012 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.696 0.365 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.493 1.693 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.249 0.144 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.709 0.021 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.265 2.595 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.439 2.385 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.629 1.370 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.654 0.290 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.515 1.879 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.192 2.138 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.199 3.185 8.753 1.00 0.00 H new ATOM 786 N LYS A 50 14.317 1.974 4.563 1.00 0.00 N ATOM 787 CA LYS A 50 15.724 2.359 4.247 1.00 0.00 C ATOM 788 C LYS A 50 15.703 3.418 3.129 1.00 0.00 C ATOM 789 O LYS A 50 16.453 4.371 3.159 1.00 0.00 O ATOM 790 CB LYS A 50 16.339 1.014 3.790 1.00 0.00 C ATOM 791 CG LYS A 50 17.558 1.186 2.874 1.00 0.00 C ATOM 792 CD LYS A 50 17.608 -0.008 1.901 1.00 0.00 C ATOM 793 CE LYS A 50 18.015 -1.283 2.657 1.00 0.00 C ATOM 794 NZ LYS A 50 18.245 -2.316 1.602 1.00 0.00 N ATOM 0 H LYS A 50 14.105 0.998 4.356 1.00 0.00 H new ATOM 0 HA LYS A 50 16.290 2.803 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.631 0.439 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.579 0.434 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.488 2.123 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.473 1.232 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.634 -0.148 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.320 0.194 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.916 -1.118 3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.233 -1.596 3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.526 -3.212 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.369 -2.459 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.000 -1.997 0.962 1.00 0.00 H new ATOM 808 N LEU A 51 14.810 3.251 2.170 1.00 0.00 N ATOM 809 CA LEU A 51 14.667 4.230 1.048 1.00 0.00 C ATOM 810 C LEU A 51 14.078 5.541 1.567 1.00 0.00 C ATOM 811 O LEU A 51 14.419 6.605 1.099 1.00 0.00 O ATOM 812 CB LEU A 51 13.684 3.578 0.065 1.00 0.00 C ATOM 813 CG LEU A 51 14.417 3.041 -1.167 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.617 2.181 -0.754 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.437 2.202 -1.985 1.00 0.00 C ATOM 0 H LEU A 51 14.166 2.461 2.124 1.00 0.00 H new ATOM 0 HA LEU A 51 15.627 4.458 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.154 2.765 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.934 4.307 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 51 14.789 3.877 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.123 1.810 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.311 2.783 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.272 1.338 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.942 1.810 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.073 1.373 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.596 2.823 -2.294 1.00 0.00 H new ATOM 827 N ASN A 52 13.189 5.454 2.536 1.00 0.00 N ATOM 828 CA ASN A 52 12.552 6.672 3.112 1.00 0.00 C ATOM 829 C ASN A 52 13.623 7.615 3.690 1.00 0.00 C ATOM 830 O ASN A 52 13.550 8.813 3.508 1.00 0.00 O ATOM 831 CB ASN A 52 11.625 6.146 4.212 1.00 0.00 C ATOM 832 CG ASN A 52 10.690 7.258 4.673 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.791 7.642 3.957 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.872 7.798 5.843 1.00 0.00 N ATOM 0 H ASN A 52 12.879 4.576 2.952 1.00 0.00 H new ATOM 0 HA ASN A 52 12.006 7.250 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.045 5.302 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.214 5.781 5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.257 8.547 6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.630 7.472 6.443 1.00 0.00 H new ATOM 841 N ASP A 53 14.618 7.072 4.367 1.00 0.00 N ATOM 842 CA ASP A 53 15.717 7.920 4.947 1.00 0.00 C ATOM 843 C ASP A 53 16.835 8.159 3.911 1.00 0.00 C ATOM 844 O ASP A 53 17.357 9.255 3.810 1.00 0.00 O ATOM 845 CB ASP A 53 16.251 7.123 6.138 1.00 0.00 C ATOM 846 CG ASP A 53 17.252 7.970 6.932 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.813 8.752 7.760 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.441 7.822 6.698 1.00 0.00 O ATOM 0 H ASP A 53 14.714 6.072 4.542 1.00 0.00 H new ATOM 0 HA ASP A 53 15.354 8.904 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.426 6.821 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.732 6.210 5.788 1.00 0.00 H new ATOM 853 N ALA A 54 17.201 7.140 3.150 1.00 0.00 N ATOM 854 CA ALA A 54 18.285 7.298 2.112 1.00 0.00 C ATOM 855 C ALA A 54 17.852 8.308 1.036 1.00 0.00 C ATOM 856 O ALA A 54 18.626 9.157 0.634 1.00 0.00 O ATOM 857 CB ALA A 54 18.469 5.904 1.502 1.00 0.00 C ATOM 0 H ALA A 54 16.794 6.206 3.204 1.00 0.00 H new ATOM 0 HA ALA A 54 19.212 7.675 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.244 5.941 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.763 5.201 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.531 5.577 1.053 1.00 0.00 H new ATOM 863 N GLN A 55 16.608 8.232 0.600 1.00 0.00 N ATOM 864 CA GLN A 55 16.084 9.199 -0.425 1.00 0.00 C ATOM 865 C GLN A 55 15.415 10.420 0.266 1.00 0.00 C ATOM 866 O GLN A 55 14.824 11.255 -0.398 1.00 0.00 O ATOM 867 CB GLN A 55 15.043 8.417 -1.240 1.00 0.00 C ATOM 868 CG GLN A 55 15.680 7.168 -1.875 1.00 0.00 C ATOM 869 CD GLN A 55 14.600 6.334 -2.567 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.729 5.986 -3.723 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.529 5.999 -1.903 1.00 0.00 N ATOM 0 H GLN A 55 15.931 7.536 0.914 1.00 0.00 H new ATOM 0 HA GLN A 55 16.886 9.586 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.215 8.122 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.628 9.056 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.443 7.463 -2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.178 6.573 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.419 6.291 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.801 5.445 -2.355 1.00 0.00 H new ATOM 880 N ALA A 56 15.499 10.523 1.593 1.00 0.00 N ATOM 881 CA ALA A 56 14.869 11.678 2.324 1.00 0.00 C ATOM 882 C ALA A 56 15.612 12.989 2.052 1.00 0.00 C ATOM 883 O ALA A 56 16.780 12.980 1.697 1.00 0.00 O ATOM 884 CB ALA A 56 14.964 11.350 3.819 1.00 0.00 C ATOM 0 H ALA A 56 15.979 9.851 2.192 1.00 0.00 H new ATOM 0 HA ALA A 56 13.839 11.811 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.519 12.159 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.430 10.422 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.011 11.235 4.101 1.00 0.00 H new ATOM 890 N PRO A 57 14.902 14.085 2.243 1.00 0.00 N ATOM 891 CA PRO A 57 15.497 15.426 2.029 1.00 0.00 C ATOM 892 C PRO A 57 16.496 15.777 3.149 1.00 0.00 C ATOM 893 O PRO A 57 16.348 15.347 4.282 1.00 0.00 O ATOM 894 CB PRO A 57 14.292 16.361 2.049 1.00 0.00 C ATOM 895 CG PRO A 57 13.262 15.649 2.863 1.00 0.00 C ATOM 896 CD PRO A 57 13.491 14.179 2.666 1.00 0.00 C ATOM 0 HA PRO A 57 16.066 15.493 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.547 17.324 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.930 16.559 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.350 15.916 3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.258 15.929 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.313 13.622 3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.821 13.769 1.910 1.00 0.00 H new ATOM 904 N LYS A 58 17.509 16.554 2.827 1.00 0.00 N ATOM 905 CA LYS A 58 18.536 16.952 3.848 1.00 0.00 C ATOM 906 C LYS A 58 18.767 18.476 3.818 1.00 0.00 C ATOM 907 O LYS A 58 18.701 19.081 4.875 1.00 0.00 O ATOM 908 CB LYS A 58 19.808 16.192 3.447 1.00 0.00 C ATOM 909 CG LYS A 58 20.815 16.213 4.603 1.00 0.00 C ATOM 910 CD LYS A 58 22.194 15.777 4.093 1.00 0.00 C ATOM 911 CE LYS A 58 22.223 14.254 3.904 1.00 0.00 C ATOM 912 NZ LYS A 58 23.495 13.967 3.172 1.00 0.00 N ATOM 913 OXT LYS A 58 19.007 19.011 2.743 1.00 0.00 O ATOM 0 H LYS A 58 17.668 16.932 1.893 1.00 0.00 H new ATOM 0 HA LYS A 58 18.224 16.710 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.560 15.163 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.250 16.647 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.874 17.215 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.483 15.547 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.416 16.274 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.966 16.079 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.198 13.739 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.358 13.912 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.579 12.943 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.489 14.463 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.303 14.295 3.739 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 5.412 -11.926 -11.540 1.00 0.00 N ATOM 929 CA VAL B 1 4.489 -12.959 -12.122 1.00 0.00 C ATOM 930 C VAL B 1 3.612 -12.345 -13.244 1.00 0.00 C ATOM 931 O VAL B 1 3.593 -11.142 -13.438 1.00 0.00 O ATOM 932 CB VAL B 1 3.641 -13.470 -10.924 1.00 0.00 C ATOM 933 CG1 VAL B 1 2.419 -12.572 -10.673 1.00 0.00 C ATOM 934 CG2 VAL B 1 3.165 -14.900 -11.202 1.00 0.00 C ATOM 0 H1 VAL B 1 6.070 -12.383 -10.877 1.00 0.00 H new ATOM 0 H2 VAL B 1 5.951 -11.472 -12.305 1.00 0.00 H new ATOM 0 H3 VAL B 1 4.855 -11.207 -11.035 1.00 0.00 H new ATOM 0 HA VAL B 1 5.029 -13.779 -12.595 1.00 0.00 H new ATOM 0 HB VAL B 1 4.272 -13.447 -10.035 1.00 0.00 H new ATOM 0 HG11 VAL B 1 1.850 -12.960 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL B 1 2.752 -11.558 -10.451 1.00 0.00 H new ATOM 0 HG13 VAL B 1 1.787 -12.560 -11.561 1.00 0.00 H new ATOM 0 HG21 VAL B 1 2.571 -15.256 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL B 1 2.557 -14.912 -12.106 1.00 0.00 H new ATOM 0 HG23 VAL B 1 4.029 -15.551 -11.337 1.00 0.00 H new ATOM 946 N ASP B 2 2.888 -13.172 -13.974 1.00 0.00 N ATOM 947 CA ASP B 2 2.008 -12.654 -15.075 1.00 0.00 C ATOM 948 C ASP B 2 0.568 -12.469 -14.562 1.00 0.00 C ATOM 949 O ASP B 2 0.151 -13.125 -13.620 1.00 0.00 O ATOM 950 CB ASP B 2 2.064 -13.723 -16.177 1.00 0.00 C ATOM 951 CG ASP B 2 1.689 -13.095 -17.525 1.00 0.00 C ATOM 952 OD1 ASP B 2 2.562 -12.516 -18.151 1.00 0.00 O ATOM 953 OD2 ASP B 2 0.536 -13.204 -17.908 1.00 0.00 O ATOM 0 H ASP B 2 2.871 -14.185 -13.852 1.00 0.00 H new ATOM 0 HA ASP B 2 2.338 -11.683 -15.443 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.065 -14.152 -16.230 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.380 -14.538 -15.942 1.00 0.00 H new ATOM 958 N ASN B 3 -0.188 -11.569 -15.181 1.00 0.00 N ATOM 959 CA ASN B 3 -1.618 -11.294 -14.764 1.00 0.00 C ATOM 960 C ASN B 3 -1.683 -10.851 -13.285 1.00 0.00 C ATOM 961 O ASN B 3 -2.425 -11.406 -12.489 1.00 0.00 O ATOM 962 CB ASN B 3 -2.406 -12.605 -14.995 1.00 0.00 C ATOM 963 CG ASN B 3 -2.338 -13.027 -16.472 1.00 0.00 C ATOM 964 OD1 ASN B 3 -2.520 -12.219 -17.362 1.00 0.00 O ATOM 965 ND2 ASN B 3 -2.077 -14.273 -16.771 1.00 0.00 N ATOM 0 H ASN B 3 0.133 -11.006 -15.969 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.048 -10.480 -15.348 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.997 -13.396 -14.366 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -3.446 -12.467 -14.698 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -2.027 -14.563 -17.747 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -1.924 -14.954 -16.028 1.00 0.00 H new ATOM 972 N LYS B 4 -0.900 -9.851 -12.919 1.00 0.00 N ATOM 973 CA LYS B 4 -0.894 -9.355 -11.498 1.00 0.00 C ATOM 974 C LYS B 4 -1.319 -7.876 -11.421 1.00 0.00 C ATOM 975 O LYS B 4 -1.027 -7.086 -12.306 1.00 0.00 O ATOM 976 CB LYS B 4 0.556 -9.546 -10.993 1.00 0.00 C ATOM 977 CG LYS B 4 1.537 -8.637 -11.756 1.00 0.00 C ATOM 978 CD LYS B 4 2.970 -8.939 -11.306 1.00 0.00 C ATOM 979 CE LYS B 4 3.944 -7.949 -11.967 1.00 0.00 C ATOM 980 NZ LYS B 4 4.745 -7.355 -10.854 1.00 0.00 N ATOM 0 H LYS B 4 -0.265 -9.358 -13.547 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.606 -9.904 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.605 -9.324 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.852 -10.588 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.440 -8.800 -12.829 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.299 -7.590 -11.569 1.00 0.00 H new ATOM 0 HD2 LYS B 4 3.043 -8.865 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.238 -9.961 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.589 -8.456 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.404 -7.177 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.514 -6.777 -11.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.131 -6.757 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.149 -8.117 -10.272 1.00 0.00 H new ATOM 994 N PHE B 5 -2.003 -7.505 -10.356 1.00 0.00 N ATOM 995 CA PHE B 5 -2.457 -6.089 -10.173 1.00 0.00 C ATOM 996 C PHE B 5 -1.498 -5.328 -9.228 1.00 0.00 C ATOM 997 O PHE B 5 -1.913 -4.435 -8.505 1.00 0.00 O ATOM 998 CB PHE B 5 -3.850 -6.215 -9.538 1.00 0.00 C ATOM 999 CG PHE B 5 -4.848 -6.756 -10.540 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.348 -5.928 -11.552 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.283 -8.084 -10.444 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.277 -6.429 -12.469 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.212 -8.584 -11.364 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.709 -7.757 -12.377 1.00 0.00 C ATOM 0 H PHE B 5 -2.267 -8.135 -9.599 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.474 -5.533 -11.110 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.802 -6.875 -8.672 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -4.180 -5.241 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.016 -4.903 -11.624 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -4.902 -8.722 -9.660 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -6.662 -5.790 -13.250 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.545 -9.609 -11.292 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.425 -8.143 -13.087 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.220 -5.687 -9.212 1.00 0.00 N ATOM 1015 CA ASN B 6 0.768 -5.001 -8.301 1.00 0.00 C ATOM 1016 C ASN B 6 0.894 -3.514 -8.664 1.00 0.00 C ATOM 1017 O ASN B 6 0.950 -2.662 -7.793 1.00 0.00 O ATOM 1018 CB ASN B 6 2.119 -5.732 -8.475 1.00 0.00 C ATOM 1019 CG ASN B 6 1.994 -7.249 -8.176 1.00 0.00 C ATOM 1020 OD1 ASN B 6 0.913 -7.772 -7.980 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.066 -7.994 -8.137 1.00 0.00 N ATOM 0 H ASN B 6 0.177 -6.426 -9.792 1.00 0.00 H new ATOM 0 HA ASN B 6 0.440 -5.045 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.481 -5.591 -9.493 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.860 -5.290 -7.809 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.986 -8.993 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.983 -7.577 -8.298 1.00 0.00 H new ATOM 1028 N LYS B 7 0.896 -3.199 -9.941 1.00 0.00 N ATOM 1029 CA LYS B 7 0.968 -1.758 -10.380 1.00 0.00 C ATOM 1030 C LYS B 7 -0.259 -0.997 -9.883 1.00 0.00 C ATOM 1031 O LYS B 7 -0.179 0.169 -9.549 1.00 0.00 O ATOM 1032 CB LYS B 7 0.993 -1.766 -11.912 1.00 0.00 C ATOM 1033 CG LYS B 7 1.686 -0.491 -12.413 1.00 0.00 C ATOM 1034 CD LYS B 7 0.702 0.364 -13.219 1.00 0.00 C ATOM 1035 CE LYS B 7 1.257 1.790 -13.373 1.00 0.00 C ATOM 1036 NZ LYS B 7 0.952 2.493 -12.084 1.00 0.00 N ATOM 0 H LYS B 7 0.851 -3.877 -10.702 1.00 0.00 H new ATOM 0 HA LYS B 7 1.853 -1.268 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.522 -2.648 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.023 -1.820 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.068 0.081 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.543 -0.754 -13.033 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.539 -0.081 -14.201 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.265 0.392 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.330 1.773 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.792 2.301 -14.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 0.268 3.257 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.549 1.815 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.827 2.895 -11.692 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.383 -1.664 -9.827 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.634 -1.012 -9.338 1.00 0.00 C ATOM 1052 C GLU B 8 -2.526 -0.649 -7.864 1.00 0.00 C ATOM 1053 O GLU B 8 -3.097 0.332 -7.449 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.761 -2.026 -9.572 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.674 -1.519 -10.688 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.124 -1.930 -10.402 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.438 -3.098 -10.568 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.894 -1.069 -10.016 1.00 0.00 O ATOM 0 H GLU B 8 -1.488 -2.641 -10.102 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.823 -0.079 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.343 -2.996 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.333 -2.169 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.602 -0.434 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.353 -1.927 -11.646 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.784 -1.397 -7.073 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.650 -1.023 -5.622 1.00 0.00 C ATOM 1067 C LEU B 9 -0.829 0.257 -5.476 1.00 0.00 C ATOM 1068 O LEU B 9 -0.997 0.983 -4.516 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.938 -2.142 -4.861 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.534 -3.523 -5.158 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.547 -4.602 -4.668 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.869 -3.649 -4.404 1.00 0.00 C ATOM 0 H LEU B 9 -1.275 -2.233 -7.361 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.649 -0.867 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.119 -2.141 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.999 -1.946 -3.791 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.706 -3.650 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.958 -5.591 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.404 -4.489 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.388 -4.490 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.309 -4.626 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.694 -3.541 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.552 -2.869 -4.740 1.00 0.00 H new ATOM 1084 N SER B 10 0.047 0.554 -6.421 1.00 0.00 N ATOM 1085 CA SER B 10 0.845 1.811 -6.312 1.00 0.00 C ATOM 1086 C SER B 10 -0.117 3.011 -6.393 1.00 0.00 C ATOM 1087 O SER B 10 -0.043 3.931 -5.600 1.00 0.00 O ATOM 1088 CB SER B 10 1.832 1.793 -7.496 1.00 0.00 C ATOM 1089 OG SER B 10 1.234 2.295 -8.685 1.00 0.00 O ATOM 0 H SER B 10 0.235 -0.015 -7.246 1.00 0.00 H new ATOM 0 HA SER B 10 1.391 1.889 -5.372 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.709 2.392 -7.248 1.00 0.00 H new ATOM 0 HB3 SER B 10 2.179 0.774 -7.665 1.00 0.00 H new ATOM 0 HG SER B 10 0.889 1.549 -9.218 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.029 2.974 -7.346 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.016 4.090 -7.528 1.00 0.00 C ATOM 1097 C VAL B 11 -3.209 3.914 -6.574 1.00 0.00 C ATOM 1098 O VAL B 11 -3.576 4.833 -5.866 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.450 3.987 -9.005 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.298 5.204 -9.385 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.205 3.926 -9.912 1.00 0.00 C ATOM 0 H VAL B 11 -1.129 2.207 -8.011 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.593 5.068 -7.300 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.040 3.080 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.601 5.125 -10.429 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.184 5.242 -8.752 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.713 6.113 -9.245 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.517 3.853 -10.954 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.609 4.828 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.607 3.053 -9.651 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.800 2.734 -6.549 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.964 2.467 -5.640 1.00 0.00 C ATOM 1113 C ALA B 12 -4.546 2.549 -4.181 1.00 0.00 C ATOM 1114 O ALA B 12 -5.146 3.252 -3.396 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.442 1.042 -5.970 1.00 0.00 C ATOM 0 H ALA B 12 -3.520 1.941 -7.126 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.752 3.206 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.292 0.788 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.741 0.992 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.632 0.336 -5.790 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.515 1.837 -3.834 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.017 1.812 -2.438 1.00 0.00 C ATOM 1123 C GLY B 13 -2.577 3.188 -1.976 1.00 0.00 C ATOM 1124 O GLY B 13 -3.016 3.644 -0.943 1.00 0.00 O ATOM 0 H GLY B 13 -2.983 1.255 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.801 1.440 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.180 1.118 -2.362 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.687 3.828 -2.702 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.182 5.167 -2.247 1.00 0.00 C ATOM 1130 C ARG B 14 -2.311 6.216 -2.138 1.00 0.00 C ATOM 1131 O ARG B 14 -2.314 7.009 -1.212 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.110 5.600 -3.246 1.00 0.00 C ATOM 1133 CG ARG B 14 0.733 6.718 -2.629 1.00 0.00 C ATOM 1134 CD ARG B 14 1.471 6.192 -1.395 1.00 0.00 C ATOM 1135 NE ARG B 14 2.880 6.682 -1.505 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.190 7.914 -1.176 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.195 8.855 -2.090 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.503 8.198 0.066 1.00 0.00 N ATOM 0 H ARG B 14 -1.293 3.487 -3.579 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.768 5.087 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.524 4.753 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.575 5.946 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.450 7.091 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.094 7.557 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.004 6.555 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.440 5.103 -1.359 1.00 0.00 H new ATOM 0 HE ARG B 14 3.608 6.051 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.958 8.629 -3.056 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.436 9.813 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.505 7.462 0.772 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.744 9.155 0.325 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.279 6.221 -3.042 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.409 7.215 -2.914 1.00 0.00 C ATOM 1154 C GLU B 15 -5.258 6.842 -1.682 1.00 0.00 C ATOM 1155 O GLU B 15 -5.628 7.696 -0.902 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.217 7.132 -4.211 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.432 7.818 -5.344 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.299 7.932 -6.605 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.328 8.589 -6.548 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -4.909 7.369 -7.614 1.00 0.00 O ATOM 0 H GLU B 15 -3.335 5.594 -3.845 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.055 8.236 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.411 6.090 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.186 7.614 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.112 8.810 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.530 7.248 -5.566 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.490 5.555 -1.471 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.230 5.068 -0.248 1.00 0.00 C ATOM 1169 C ILE B 16 -5.369 5.364 1.016 1.00 0.00 C ATOM 1170 O ILE B 16 -5.889 5.548 2.101 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.429 3.550 -0.486 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.463 3.367 -1.611 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.949 2.858 0.777 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.334 1.991 -2.265 1.00 0.00 C ATOM 0 H ILE B 16 -5.193 4.813 -2.105 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.190 5.559 -0.088 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.470 3.106 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.468 3.487 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.327 4.144 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.080 1.794 0.581 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.232 2.993 1.587 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.906 3.294 1.063 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.078 1.893 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.336 1.882 -2.690 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.496 1.216 -1.516 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.058 5.433 0.847 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.110 5.747 1.973 1.00 0.00 C ATOM 1188 C VAL B 17 -3.230 7.227 2.391 1.00 0.00 C ATOM 1189 O VAL B 17 -3.056 7.550 3.554 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.695 5.456 1.390 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.586 6.244 2.101 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.388 3.975 1.501 1.00 0.00 C ATOM 0 H VAL B 17 -3.598 5.280 -0.051 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.320 5.156 2.865 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.714 5.773 0.347 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.377 6.001 1.653 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.775 7.312 1.998 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.572 5.979 3.158 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.397 3.777 1.092 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.414 3.675 2.549 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.131 3.406 0.942 1.00 0.00 H new ATOM 1202 N THR B 18 -3.468 8.133 1.454 1.00 0.00 N ATOM 1203 CA THR B 18 -3.526 9.582 1.825 1.00 0.00 C ATOM 1204 C THR B 18 -4.646 10.373 1.099 1.00 0.00 C ATOM 1205 O THR B 18 -4.444 11.534 0.764 1.00 0.00 O ATOM 1206 CB THR B 18 -2.112 10.110 1.470 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.945 11.432 1.979 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.884 10.104 -0.054 1.00 0.00 C ATOM 0 H THR B 18 -3.621 7.928 0.467 1.00 0.00 H new ATOM 0 HA THR B 18 -3.781 9.713 2.877 1.00 0.00 H new ATOM 0 HB THR B 18 -1.377 9.448 1.928 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.719 11.979 1.729 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.884 10.479 -0.274 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.981 9.086 -0.432 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.625 10.742 -0.535 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.833 9.805 0.887 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.928 10.624 0.229 1.00 0.00 C ATOM 1218 C LEU B 19 -7.291 11.831 1.147 1.00 0.00 C ATOM 1219 O LEU B 19 -6.872 11.876 2.294 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.109 9.680 -0.047 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.488 8.868 1.183 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.986 8.980 1.379 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.099 7.399 0.968 1.00 0.00 C ATOM 0 H LEU B 19 -6.082 8.847 1.132 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.612 11.053 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.969 10.262 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.850 9.004 -0.862 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.966 9.244 2.063 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.282 8.405 2.256 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.257 10.026 1.522 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.498 8.590 0.500 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.371 6.818 1.849 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.626 7.007 0.098 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.024 7.328 0.804 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.972 12.819 0.589 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.272 14.096 1.328 1.00 0.00 C ATOM 1237 C PRO B 20 -9.044 13.973 2.663 1.00 0.00 C ATOM 1238 O PRO B 20 -8.853 14.816 3.521 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.060 14.919 0.304 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.620 13.910 -0.636 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.557 12.855 -0.764 1.00 0.00 C ATOM 0 HA PRO B 20 -7.338 14.544 1.668 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.851 15.496 0.783 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.416 15.629 -0.214 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.549 13.488 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.849 14.358 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.976 11.890 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.816 13.117 -1.519 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.921 13.001 2.859 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.689 12.964 4.171 1.00 0.00 C ATOM 1251 C ASN B 21 -10.659 11.601 4.898 1.00 0.00 C ATOM 1252 O ASN B 21 -11.550 11.324 5.688 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.135 13.289 3.788 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.280 14.723 3.252 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.552 15.618 3.632 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.220 14.974 2.386 1.00 0.00 N ATOM 0 H ASN B 21 -10.136 12.255 2.197 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.232 13.666 4.869 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.477 12.583 3.032 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.778 13.160 4.658 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.344 15.921 2.028 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.832 14.224 2.066 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.675 10.754 4.677 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.663 9.438 5.408 1.00 0.00 C ATOM 1265 C LEU B 22 -8.755 9.487 6.634 1.00 0.00 C ATOM 1266 O LEU B 22 -7.825 10.275 6.712 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.127 8.396 4.441 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.749 7.020 4.733 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.974 6.789 3.839 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.705 5.940 4.459 1.00 0.00 C ATOM 0 H LEU B 22 -8.896 10.910 4.037 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.671 9.202 5.750 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.351 8.693 3.416 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.042 8.337 4.526 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.066 6.980 5.775 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.404 5.811 4.057 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.717 7.563 4.032 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.673 6.828 2.792 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.134 4.959 4.663 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.394 5.991 3.415 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.840 6.098 5.103 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.007 8.606 7.564 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.156 8.518 8.807 1.00 0.00 C ATOM 1284 C ASN B 23 -7.222 7.289 8.724 1.00 0.00 C ATOM 1285 O ASN B 23 -7.459 6.374 7.954 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.125 8.455 10.010 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.984 7.174 10.012 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.028 6.444 9.049 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.686 6.880 11.072 1.00 0.00 N ATOM 0 H ASN B 23 -9.772 7.933 7.524 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.503 9.384 8.918 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.553 8.506 10.936 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.779 9.327 9.991 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.265 6.041 11.083 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.655 7.490 11.889 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.137 7.301 9.480 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.121 6.181 9.430 1.00 0.00 C ATOM 1298 C ASP B 24 -5.673 4.739 9.650 1.00 0.00 C ATOM 1299 O ASP B 24 -5.162 3.834 9.011 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.008 6.537 10.449 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.526 6.544 11.893 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.045 7.567 12.313 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.384 5.529 12.558 1.00 0.00 O ATOM 0 H ASP B 24 -5.909 8.047 10.137 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.743 6.125 8.409 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.193 5.818 10.360 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.596 7.517 10.208 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.661 4.519 10.524 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.163 3.124 10.734 1.00 0.00 C ATOM 1310 C PRO B 25 -7.969 2.601 9.524 1.00 0.00 C ATOM 1311 O PRO B 25 -7.852 1.435 9.175 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.049 3.238 11.971 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.489 4.663 12.005 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.391 5.479 11.377 1.00 0.00 C ATOM 0 HA PRO B 25 -6.346 2.413 10.854 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.903 2.563 11.908 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.500 2.973 12.875 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.424 4.791 11.460 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.671 4.986 13.030 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.795 6.304 10.790 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.738 5.915 12.133 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.787 3.433 8.882 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.586 2.936 7.709 1.00 0.00 C ATOM 1324 C GLN B 26 -8.663 2.638 6.523 1.00 0.00 C ATOM 1325 O GLN B 26 -8.780 1.584 5.933 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.640 4.006 7.393 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.663 4.024 8.545 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.900 4.841 8.160 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.897 4.287 7.748 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.889 6.138 8.284 1.00 0.00 N ATOM 0 H GLN B 26 -8.928 4.415 9.121 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.090 1.996 7.935 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.170 4.984 7.286 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.135 3.785 6.447 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -11.958 3.004 8.792 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.205 4.449 9.438 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.054 6.610 8.630 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.716 6.681 8.035 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.715 3.517 6.200 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.753 3.213 5.071 1.00 0.00 C ATOM 1341 C LYS B 27 -5.968 1.943 5.384 1.00 0.00 C ATOM 1342 O LYS B 27 -5.673 1.170 4.500 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.764 4.375 4.895 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.240 4.954 6.218 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.593 6.316 5.941 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.669 7.363 5.601 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.208 8.637 6.231 1.00 0.00 N ATOM 0 H LYS B 27 -7.571 4.414 6.663 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.326 3.076 4.154 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.918 4.032 4.300 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.250 5.170 4.329 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.057 5.063 6.932 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.514 4.275 6.665 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.025 6.640 6.813 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.887 6.229 5.115 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.777 7.477 4.522 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.643 7.064 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.009 9.297 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.832 8.439 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.462 9.064 5.645 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.639 1.729 6.641 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.892 0.495 7.040 1.00 0.00 C ATOM 1363 C LYS B 28 -5.694 -0.742 6.603 1.00 0.00 C ATOM 1364 O LYS B 28 -5.231 -1.521 5.799 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.788 0.551 8.576 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.342 0.768 8.989 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.668 -0.586 9.203 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.186 -0.497 8.824 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.507 -1.599 9.570 1.00 0.00 N ATOM 0 H LYS B 28 -5.859 2.363 7.409 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.906 0.437 6.578 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.411 1.358 8.962 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.164 -0.376 9.009 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.813 1.333 8.221 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.298 1.357 9.905 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.768 -0.891 10.245 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.162 -1.347 8.599 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.050 -0.611 7.749 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.771 0.473 9.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.487 -1.344 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.985 -1.747 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.550 -2.475 9.011 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.917 -0.894 7.093 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.776 -2.059 6.665 1.00 0.00 C ATOM 1385 C ALA B 29 -8.027 -1.996 5.143 1.00 0.00 C ATOM 1386 O ALA B 29 -8.137 -3.013 4.483 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.092 -1.906 7.436 1.00 0.00 C ATOM 0 H ALA B 29 -7.352 -0.264 7.767 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.301 -3.018 6.874 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.765 -2.722 7.172 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.891 -1.933 8.507 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.556 -0.954 7.178 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.099 -0.793 4.595 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.320 -0.597 3.120 1.00 0.00 C ATOM 1395 C PHE B 30 -7.160 -1.175 2.315 1.00 0.00 C ATOM 1396 O PHE B 30 -7.352 -1.979 1.428 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.346 0.925 2.926 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.643 1.364 2.334 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.947 1.031 1.019 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.538 2.112 3.101 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.153 1.444 0.465 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.743 2.527 2.547 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.052 2.192 1.231 1.00 0.00 C ATOM 0 H PHE B 30 -8.011 0.075 5.123 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.232 -1.091 2.786 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.193 1.421 3.885 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.524 1.227 2.276 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.249 0.454 0.430 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.295 2.367 4.122 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.395 1.187 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.438 3.108 3.135 1.00 0.00 H new ATOM 0 HZ PHE B 30 -12.990 2.511 0.801 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.958 -0.766 2.631 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.756 -1.285 1.916 1.00 0.00 C ATOM 1415 C ILE B 31 -4.626 -2.779 2.190 1.00 0.00 C ATOM 1416 O ILE B 31 -4.299 -3.543 1.312 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.572 -0.522 2.518 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.507 0.878 1.874 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.249 -1.298 2.305 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.070 1.294 1.654 1.00 0.00 C ATOM 0 H ILE B 31 -5.757 -0.086 3.364 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.810 -1.147 0.836 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.712 -0.418 3.594 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.040 0.872 0.923 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.008 1.603 2.515 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.423 -0.736 2.741 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.318 -2.274 2.786 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.073 -1.431 1.238 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.043 2.284 1.199 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.548 1.320 2.611 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.581 0.578 0.994 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.875 -3.186 3.417 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.773 -4.628 3.765 1.00 0.00 C ATOM 1434 C PHE B 32 -5.811 -5.430 2.940 1.00 0.00 C ATOM 1435 O PHE B 32 -5.520 -6.534 2.515 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.956 -4.698 5.300 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.605 -4.416 5.984 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.916 -3.173 5.793 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.005 -5.408 6.814 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.693 -2.964 6.400 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.780 -5.160 7.408 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.130 -3.956 7.199 1.00 0.00 C ATOM 0 H PHE B 32 -5.144 -2.574 4.187 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.815 -5.083 3.513 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.700 -3.970 5.623 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.326 -5.682 5.590 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.352 -2.402 5.176 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.505 -6.351 6.979 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.172 -2.029 6.255 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.328 -5.911 8.039 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.170 -3.783 7.663 1.00 0.00 H new ATOM 1452 N SER B 33 -6.980 -4.856 2.618 1.00 0.00 N ATOM 1453 CA SER B 33 -7.945 -5.592 1.721 1.00 0.00 C ATOM 1454 C SER B 33 -7.480 -5.422 0.247 1.00 0.00 C ATOM 1455 O SER B 33 -7.621 -6.324 -0.555 1.00 0.00 O ATOM 1456 CB SER B 33 -9.339 -4.985 1.965 1.00 0.00 C ATOM 1457 OG SER B 33 -9.386 -3.645 1.512 1.00 0.00 O ATOM 0 H SER B 33 -7.289 -3.936 2.934 1.00 0.00 H new ATOM 0 HA SER B 33 -7.981 -6.661 1.931 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.094 -5.576 1.447 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.577 -5.024 3.028 1.00 0.00 H new ATOM 0 HG SER B 33 -8.562 -3.182 1.773 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.876 -4.277 -0.082 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.321 -4.025 -1.468 1.00 0.00 C ATOM 1465 C LEU B 34 -5.172 -5.014 -1.746 1.00 0.00 C ATOM 1466 O LEU B 34 -5.060 -5.554 -2.832 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.822 -2.557 -1.417 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.984 -2.175 -2.635 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.882 -1.958 -3.860 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.227 -0.872 -2.340 1.00 0.00 C ATOM 0 H LEU B 34 -6.746 -3.500 0.566 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.049 -4.169 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.680 -1.888 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.230 -2.410 -0.514 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.283 -2.983 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.267 -1.686 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.426 -2.877 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.591 -1.157 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.627 -0.595 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.941 -0.077 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.575 -1.017 -1.479 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.341 -5.265 -0.751 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.209 -6.229 -0.903 1.00 0.00 C ATOM 1484 C TRP B 35 -3.736 -7.666 -1.062 1.00 0.00 C ATOM 1485 O TRP B 35 -3.284 -8.404 -1.914 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.410 -6.134 0.395 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.182 -6.960 0.231 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.937 -8.135 0.845 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.050 -6.707 -0.635 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.275 -8.612 0.416 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.868 -7.759 -0.487 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.263 -5.667 -1.515 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.062 -7.777 -1.193 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.464 -5.681 -2.223 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.358 -6.728 -2.060 1.00 0.00 C ATOM 0 H TRP B 35 -4.407 -4.832 0.170 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.611 -5.994 -1.783 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.148 -5.098 0.608 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.003 -6.493 1.236 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.588 -8.620 1.557 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.687 -9.491 0.728 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.429 -4.848 -1.647 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.755 -8.596 -1.072 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.699 -4.873 -2.901 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.289 -6.730 -2.608 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.680 -8.060 -0.224 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.242 -9.443 -0.290 1.00 0.00 C ATOM 1508 C ASP B 36 -6.068 -9.622 -1.564 1.00 0.00 C ATOM 1509 O ASP B 36 -6.033 -10.675 -2.179 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.131 -9.588 0.957 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.243 -11.066 1.341 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.132 -11.726 0.829 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.437 -11.510 2.143 1.00 0.00 O ATOM 0 H ASP B 36 -5.082 -7.471 0.505 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.457 -10.199 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.709 -9.018 1.785 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.121 -9.177 0.759 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.815 -8.606 -1.957 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.649 -8.720 -3.180 1.00 0.00 C ATOM 1520 C ASP B 37 -7.529 -7.463 -4.066 1.00 0.00 C ATOM 1521 O ASP B 37 -8.440 -6.646 -4.103 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.094 -8.907 -2.671 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.221 -10.222 -1.891 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.241 -11.268 -2.523 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.295 -10.161 -0.674 1.00 0.00 O ATOM 0 H ASP B 37 -6.874 -7.709 -1.475 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.328 -9.553 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.372 -8.069 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.786 -8.908 -3.513 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.423 -7.357 -4.800 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.239 -6.204 -5.733 1.00 0.00 C ATOM 1532 C PRO B 38 -7.213 -6.279 -6.933 1.00 0.00 C ATOM 1533 O PRO B 38 -7.259 -5.364 -7.734 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.801 -6.327 -6.194 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.472 -7.774 -6.027 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.254 -8.253 -4.831 1.00 0.00 C ATOM 0 HA PRO B 38 -6.447 -5.249 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.690 -6.013 -7.232 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.139 -5.699 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.742 -8.339 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.402 -7.914 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.551 -9.296 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.669 -8.181 -3.914 1.00 0.00 H new ATOM 1544 N SER B 39 -8.023 -7.331 -7.048 1.00 0.00 N ATOM 1545 CA SER B 39 -9.031 -7.396 -8.164 1.00 0.00 C ATOM 1546 C SER B 39 -9.986 -6.198 -7.996 1.00 0.00 C ATOM 1547 O SER B 39 -10.386 -5.566 -8.956 1.00 0.00 O ATOM 1548 CB SER B 39 -9.789 -8.713 -7.970 1.00 0.00 C ATOM 1549 OG SER B 39 -10.087 -9.277 -9.242 1.00 0.00 O ATOM 0 H SER B 39 -8.023 -8.134 -6.419 1.00 0.00 H new ATOM 0 HA SER B 39 -8.580 -7.356 -9.155 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.189 -9.408 -7.383 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.709 -8.537 -7.413 1.00 0.00 H new ATOM 0 HG SER B 39 -10.571 -10.121 -9.121 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.290 -5.865 -6.749 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.161 -4.680 -6.435 1.00 0.00 C ATOM 1557 C GLN B 40 -10.278 -3.435 -6.181 1.00 0.00 C ATOM 1558 O GLN B 40 -10.730 -2.496 -5.580 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.913 -5.008 -5.126 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.324 -6.480 -5.049 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.601 -6.626 -4.210 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.543 -7.268 -4.629 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.674 -6.056 -3.035 1.00 0.00 N ATOM 0 H GLN B 40 -9.963 -6.376 -5.929 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.843 -4.479 -7.261 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.279 -4.765 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.801 -4.380 -5.052 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.491 -6.872 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.520 -7.068 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.885 -5.516 -2.680 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.520 -6.151 -2.474 1.00 0.00 H new ATOM 1572 N SER B 41 -9.017 -3.438 -6.602 1.00 0.00 N ATOM 1573 CA SER B 41 -8.095 -2.267 -6.348 1.00 0.00 C ATOM 1574 C SER B 41 -8.673 -0.953 -6.896 1.00 0.00 C ATOM 1575 O SER B 41 -8.661 0.054 -6.207 1.00 0.00 O ATOM 1576 CB SER B 41 -6.810 -2.635 -7.068 1.00 0.00 C ATOM 1577 OG SER B 41 -5.875 -1.571 -6.988 1.00 0.00 O ATOM 0 H SER B 41 -8.589 -4.209 -7.114 1.00 0.00 H new ATOM 0 HA SER B 41 -7.946 -2.094 -5.282 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.384 -3.536 -6.627 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.023 -2.862 -8.113 1.00 0.00 H new ATOM 0 HG SER B 41 -5.919 -1.034 -7.807 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.206 -0.961 -8.108 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.823 0.289 -8.674 1.00 0.00 C ATOM 1585 C ALA B 42 -11.035 0.664 -7.807 1.00 0.00 C ATOM 1586 O ALA B 42 -11.200 1.811 -7.422 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.258 -0.066 -10.103 1.00 0.00 C ATOM 0 H ALA B 42 -9.238 -1.775 -8.722 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.137 1.136 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.716 0.805 -10.571 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.388 -0.373 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -10.980 -0.882 -10.071 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.848 -0.321 -7.460 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.023 -0.091 -6.575 1.00 0.00 C ATOM 1595 C ASN B 43 -12.562 0.321 -5.160 1.00 0.00 C ATOM 1596 O ASN B 43 -13.246 1.062 -4.490 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.773 -1.431 -6.532 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.119 -1.252 -5.822 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.057 -0.729 -6.391 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.252 -1.661 -4.590 1.00 0.00 N ATOM 0 H ASN B 43 -11.734 -1.288 -7.765 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.658 0.714 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.932 -1.801 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.173 -2.177 -6.011 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.142 -1.542 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.466 -2.100 -4.111 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.409 -0.164 -4.708 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.892 0.189 -3.339 1.00 0.00 C ATOM 1609 C LEU B 44 -10.540 1.668 -3.282 1.00 0.00 C ATOM 1610 O LEU B 44 -10.977 2.382 -2.406 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.646 -0.684 -3.149 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.020 -1.915 -2.330 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.257 -3.141 -2.847 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.669 -1.630 -0.865 1.00 0.00 C ATOM 0 H LEU B 44 -10.806 -0.793 -5.239 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.627 0.012 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.246 -0.984 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.864 -0.118 -2.642 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.085 -2.127 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.530 -4.015 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.513 -3.315 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.185 -2.965 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.926 -2.495 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.601 -1.430 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.230 -0.762 -0.519 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.780 2.117 -4.240 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.398 3.565 -4.324 1.00 0.00 C ATOM 1628 C LEU B 45 -10.679 4.415 -4.382 1.00 0.00 C ATOM 1629 O LEU B 45 -10.795 5.419 -3.698 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.599 3.700 -5.629 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.504 4.758 -5.473 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -6.864 5.022 -6.835 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.096 6.056 -4.918 1.00 0.00 C ATOM 0 H LEU B 45 -9.397 1.535 -4.985 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.813 3.900 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.153 2.741 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.267 3.975 -6.446 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.749 4.394 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.083 5.775 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.429 4.099 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.623 5.381 -7.530 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.306 6.800 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.858 6.430 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.546 5.863 -3.944 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.653 3.976 -5.157 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.964 4.699 -5.236 1.00 0.00 C ATOM 1647 C ALA B 46 -13.644 4.644 -3.862 1.00 0.00 C ATOM 1648 O ALA B 46 -14.121 5.644 -3.365 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.780 3.915 -6.259 1.00 0.00 C ATOM 0 H ALA B 46 -11.591 3.142 -5.740 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.859 5.747 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.759 4.380 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.260 3.916 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.905 2.888 -5.915 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.649 3.471 -3.240 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.251 3.303 -1.880 1.00 0.00 C ATOM 1657 C GLU B 47 -13.539 4.227 -0.878 1.00 0.00 C ATOM 1658 O GLU B 47 -14.157 4.779 0.005 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.017 1.826 -1.491 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.257 1.252 -0.781 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.708 2.154 0.384 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -15.180 2.000 1.473 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.586 2.977 0.169 1.00 0.00 O ATOM 0 H GLU B 47 -13.253 2.617 -3.633 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.311 3.556 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.797 1.239 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.148 1.749 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -16.072 1.147 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.033 0.254 -0.404 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.239 4.392 -1.036 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.449 5.285 -0.122 1.00 0.00 C ATOM 1672 C ALA B 48 -11.961 6.723 -0.258 1.00 0.00 C ATOM 1673 O ALA B 48 -12.297 7.353 0.728 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.984 5.169 -0.592 1.00 0.00 C ATOM 0 H ALA B 48 -11.689 3.940 -1.767 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.543 5.004 0.927 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.350 5.797 0.034 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.658 4.132 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.908 5.496 -1.629 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.062 7.225 -1.479 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.594 8.616 -1.702 1.00 0.00 C ATOM 1682 C LYS B 49 -14.061 8.697 -1.240 1.00 0.00 C ATOM 1683 O LYS B 49 -14.444 9.625 -0.554 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.482 8.872 -3.212 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.001 8.919 -3.621 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.881 9.279 -5.106 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.414 9.162 -5.543 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.258 10.095 -6.701 1.00 0.00 N ATOM 0 H LYS B 49 -11.797 6.727 -2.329 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.037 9.362 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.997 8.085 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.970 9.812 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.471 9.654 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.532 7.953 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.504 8.614 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.243 10.293 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.741 9.433 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.172 8.139 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.277 10.061 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.903 9.810 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.485 11.064 -6.399 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.866 7.706 -1.588 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.310 7.681 -1.150 1.00 0.00 C ATOM 1704 C LYS B 50 -16.396 7.668 0.385 1.00 0.00 C ATOM 1705 O LYS B 50 -17.205 8.369 0.969 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.894 6.379 -1.721 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.091 6.508 -3.238 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.177 5.112 -3.876 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.443 4.378 -3.398 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.956 3.227 -2.575 1.00 0.00 N ATOM 0 H LYS B 50 -14.581 6.910 -2.159 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.854 8.558 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.226 5.546 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.847 6.158 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.001 7.070 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.263 7.066 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.190 5.202 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.292 4.531 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.080 5.038 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.038 4.031 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.757 2.610 -2.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.254 2.685 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.518 3.585 -1.702 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.546 6.890 1.033 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.536 6.832 2.530 1.00 0.00 C ATOM 1726 C LEU B 51 -15.068 8.182 3.104 1.00 0.00 C ATOM 1727 O LEU B 51 -15.645 8.674 4.058 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.557 5.701 2.892 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.635 5.406 4.397 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.969 4.063 4.693 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.946 6.521 5.194 1.00 0.00 C ATOM 0 H LEU B 51 -14.856 6.291 0.579 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.526 6.641 2.945 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.798 4.803 2.323 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.541 5.987 2.620 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.682 5.361 4.696 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.026 3.856 5.762 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.481 3.274 4.143 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.924 4.100 4.386 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.009 6.299 6.259 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.899 6.586 4.898 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.440 7.471 4.992 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.045 8.788 2.515 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.552 10.126 3.001 1.00 0.00 C ATOM 1745 C ASN B 52 -14.717 11.123 3.021 1.00 0.00 C ATOM 1746 O ASN B 52 -14.793 11.977 3.884 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.414 10.524 2.008 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.771 11.607 0.939 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.608 12.464 1.113 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.102 11.632 -0.172 1.00 0.00 N ATOM 0 H ASN B 52 -13.534 8.409 1.718 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.166 10.108 4.020 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.565 10.884 2.589 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.086 9.625 1.487 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.289 12.358 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.389 10.926 -0.354 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.618 11.004 2.058 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.784 11.924 1.979 1.00 0.00 C ATOM 1759 C ASP B 53 -17.684 11.777 3.223 1.00 0.00 C ATOM 1760 O ASP B 53 -18.335 12.725 3.629 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.556 11.505 0.724 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.518 12.623 0.309 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.083 13.526 -0.387 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.675 12.554 0.691 1.00 0.00 O ATOM 0 H ASP B 53 -15.582 10.298 1.323 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.464 12.965 1.936 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.860 11.291 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.112 10.588 0.917 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.725 10.592 3.825 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.581 10.375 5.036 1.00 0.00 C ATOM 1771 C ALA B 54 -18.026 11.160 6.237 1.00 0.00 C ATOM 1772 O ALA B 54 -18.778 11.721 7.017 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.522 8.865 5.287 1.00 0.00 C ATOM 0 H ALA B 54 -17.198 9.773 3.521 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.604 10.723 4.892 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.125 8.618 6.161 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.910 8.336 4.417 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.489 8.565 5.463 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.715 11.222 6.368 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.075 11.985 7.487 1.00 0.00 C ATOM 1781 C GLN B 55 -16.008 13.485 7.145 1.00 0.00 C ATOM 1782 O GLN B 55 -16.111 14.326 8.020 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.669 11.385 7.602 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.742 10.038 8.328 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.399 9.326 8.199 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.793 8.953 9.183 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.900 9.132 7.012 1.00 0.00 N ATOM 0 H GLN B 55 -16.056 10.768 5.735 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.632 11.908 8.421 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.237 11.252 6.610 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.015 12.067 8.145 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.987 10.191 9.379 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.535 9.424 7.902 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.410 9.446 6.187 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.999 8.666 6.908 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.815 13.813 5.877 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.711 15.246 5.453 1.00 0.00 C ATOM 1798 C ALA B 56 -16.135 15.415 3.983 1.00 0.00 C ATOM 1799 O ALA B 56 -16.011 14.491 3.209 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.228 15.551 5.598 1.00 0.00 C ATOM 0 H ALA B 56 -15.725 13.138 5.118 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.352 15.904 6.040 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.039 16.585 5.310 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.926 15.402 6.635 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.655 14.885 4.953 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.598 16.604 3.628 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.011 16.871 2.220 1.00 0.00 C ATOM 1808 C PRO B 57 -15.773 16.968 1.309 1.00 0.00 C ATOM 1809 O PRO B 57 -14.731 17.458 1.717 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.734 18.213 2.305 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.167 18.880 3.515 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.773 17.791 4.480 1.00 0.00 C ATOM 0 HA PRO B 57 -17.637 16.084 1.799 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.565 18.810 1.409 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.811 18.076 2.398 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.303 19.490 3.249 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.901 19.547 3.966 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.854 18.041 5.010 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.542 17.630 5.235 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.887 16.511 0.083 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.719 16.573 -0.872 1.00 0.00 C ATOM 1822 C LYS B 58 -14.511 18.013 -1.378 1.00 0.00 C ATOM 1823 O LYS B 58 -15.468 18.611 -1.856 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.067 15.634 -2.039 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.030 14.175 -1.570 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.304 13.252 -2.764 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.487 11.808 -2.275 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.905 11.453 -2.590 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.396 18.495 -1.275 1.00 0.00 O ATOM 0 H LYS B 58 -16.736 16.097 -0.303 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.792 16.270 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.057 15.875 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.361 15.780 -2.856 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.058 13.946 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.775 14.012 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.198 13.582 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.477 13.304 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.793 11.133 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.291 11.729 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.178 10.605 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.527 12.244 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.997 11.263 -3.608 1.00 0.00 H new TER 1843 LYS B 58