USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 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= -0.896 K(o=-7.2,f=-8.3) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.26! C(o=-7.2!,f=-12!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.05 K(o=-4.5,f=-17!) USER MOD Set 2.2: B 26 GLN : amide:sc= -0.452 K(o=-4.5,f=-5.5!) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.03! K(o=-4.5!,f=-5.5) USER MOD Set 3.1: B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 10 SER OG : rot 151:sc= 0.142 USER MOD Set 4.1: A 23 ASN : amide:sc= -0.724 K(o=-1.3,f=-10!) USER MOD Set 4.2: A 55 GLN : amide:sc= -0.626 K(o=-1.3,f=-8.2!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -1.14 USER MOD Set 5.2: A 18 HIS : no HD1:sc= -23.4! C(o=-25!,f=-23!) USER MOD Set 6.1: A 11 ASN : amide:sc= 0 X(o=0.13,f=0.0085) USER MOD Set 6.2: B 28 LYS NZ :NH3+ -170:sc= 0.135 (180deg=0.0659) USER MOD Set 7.1: A 3 ASN : amide:sc= 0 X(o=-0.44,f=-0.4) USER MOD Set 7.2: A 6 ASN : amide:sc= -0.44 K(o=-0.44,f=-5.4!) USER MOD Single : A 1 VAL N :NH3+ 162:sc= -0.256 (180deg=-0.783) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0.00516 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.86 K(o=-1.9,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -1.53 K(o=-1.5,f=-10!) USER MOD Single : A 21 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.46) USER MOD Single : A 26 GLN : amide:sc= -1.03 K(o=-1,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 32 GLN : amide:sc= -0.725 K(o=-0.73,f=-2.5!) USER MOD Single : A 33 SER OG : rot 12:sc= -0.147 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 0.333 (180deg=0.199) USER MOD Single : A 39 SER OG : rot -58:sc= 0.697 USER MOD Single : A 40 GLN : amide:sc= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 41 SER OG : rot 96:sc= -1.04! 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= -1.75! C(o=-1.7!,f=-10!) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= -1.06 (180deg=-1.14) USER MOD Single : B 1 VAL N :NH3+ -116:sc= 0.0227 (180deg=-0.105) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 4 LYS NZ :NH3+ -164:sc= 0.283 (180deg=0.197) USER MOD Single : B 6 ASN : amide:sc= -3.34! C(o=-3.3!,f=-2.9!) USER MOD Single : B 18 THR OG1 : rot 180:sc= -0.913 USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -37:sc= -0.309 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -90:sc= 0.973 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -170:sc= 0.148 (180deg=-0.0942) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ -169:sc= -0.258 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.889 -13.300 9.698 1.00 0.00 N ATOM 2 CA VAL A 1 -7.192 -14.594 10.031 1.00 0.00 C ATOM 3 C VAL A 1 -6.247 -14.998 8.883 1.00 0.00 C ATOM 4 O VAL A 1 -6.682 -15.426 7.825 1.00 0.00 O ATOM 5 CB VAL A 1 -8.283 -15.677 10.263 1.00 0.00 C ATOM 6 CG1 VAL A 1 -8.893 -15.506 11.658 1.00 0.00 C ATOM 7 CG2 VAL A 1 -9.408 -15.593 9.211 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.726 -13.190 10.306 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.238 -12.504 9.857 1.00 0.00 H new ATOM 0 H3 VAL A 1 -8.185 -13.312 8.701 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.586 -14.484 10.930 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.802 -16.651 10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -9.657 -16.267 11.817 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.113 -15.612 12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -9.344 -14.517 11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -10.150 -16.367 9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -9.883 -14.613 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.987 -15.740 8.216 1.00 0.00 H new ATOM 19 N ASP A 2 -4.954 -14.851 9.092 1.00 0.00 N ATOM 20 CA ASP A 2 -3.950 -15.209 8.028 1.00 0.00 C ATOM 21 C ASP A 2 -2.575 -15.527 8.653 1.00 0.00 C ATOM 22 O ASP A 2 -2.358 -15.322 9.837 1.00 0.00 O ATOM 23 CB ASP A 2 -3.872 -13.974 7.099 1.00 0.00 C ATOM 24 CG ASP A 2 -3.465 -12.711 7.879 1.00 0.00 C ATOM 25 OD1 ASP A 2 -2.277 -12.462 7.996 1.00 0.00 O ATOM 26 OD2 ASP A 2 -4.352 -12.009 8.338 1.00 0.00 O ATOM 0 H ASP A 2 -4.549 -14.497 9.958 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.246 -16.102 7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.151 -14.160 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.839 -13.814 6.622 1.00 0.00 H new ATOM 31 N ASN A 3 -1.646 -16.027 7.856 1.00 0.00 N ATOM 32 CA ASN A 3 -0.273 -16.367 8.385 1.00 0.00 C ATOM 33 C ASN A 3 0.553 -15.088 8.611 1.00 0.00 C ATOM 34 O ASN A 3 0.164 -14.009 8.197 1.00 0.00 O ATOM 35 CB ASN A 3 0.393 -17.248 7.314 1.00 0.00 C ATOM 36 CG ASN A 3 -0.386 -18.559 7.144 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.969 -18.797 6.105 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.422 -19.427 8.121 1.00 0.00 N ATOM 0 H ASN A 3 -1.780 -16.214 6.862 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.337 -16.882 9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.430 -16.713 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.423 -17.463 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.938 -20.300 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.066 -19.232 8.995 1.00 0.00 H new ATOM 45 N LYS A 4 1.695 -15.207 9.270 1.00 0.00 N ATOM 46 CA LYS A 4 2.559 -13.998 9.534 1.00 0.00 C ATOM 47 C LYS A 4 2.942 -13.282 8.222 1.00 0.00 C ATOM 48 O LYS A 4 2.885 -12.069 8.152 1.00 0.00 O ATOM 49 CB LYS A 4 3.817 -14.504 10.283 1.00 0.00 C ATOM 50 CG LYS A 4 4.638 -15.478 9.418 1.00 0.00 C ATOM 51 CD LYS A 4 5.815 -16.026 10.231 1.00 0.00 C ATOM 52 CE LYS A 4 6.719 -16.872 9.324 1.00 0.00 C ATOM 53 NZ LYS A 4 6.535 -18.288 9.771 1.00 0.00 N ATOM 0 H LYS A 4 2.063 -16.086 9.634 1.00 0.00 H new ATOM 0 HA LYS A 4 2.020 -13.264 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.439 -13.655 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.517 -15.000 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.006 -16.298 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.005 -14.968 8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.385 -15.204 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.447 -16.630 11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.442 -16.754 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.761 -16.566 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.127 -18.915 9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.814 -18.376 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.536 -18.558 9.666 1.00 0.00 H new ATOM 67 N PHE A 5 3.319 -14.019 7.191 1.00 0.00 N ATOM 68 CA PHE A 5 3.703 -13.379 5.892 1.00 0.00 C ATOM 69 C PHE A 5 2.498 -12.722 5.204 1.00 0.00 C ATOM 70 O PHE A 5 2.660 -11.711 4.550 1.00 0.00 O ATOM 71 CB PHE A 5 4.299 -14.495 5.011 1.00 0.00 C ATOM 72 CG PHE A 5 5.652 -14.963 5.547 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.423 -14.148 6.399 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.140 -16.222 5.172 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.660 -14.593 6.871 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.380 -16.666 5.647 1.00 0.00 C ATOM 77 CZ PHE A 5 8.138 -15.852 6.495 1.00 0.00 C ATOM 0 H PHE A 5 3.375 -15.037 7.200 1.00 0.00 H new ATOM 0 HA PHE A 5 4.426 -12.581 6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.609 -15.338 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.416 -14.132 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.056 -13.174 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.558 -16.851 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.247 -13.965 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.752 -17.638 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.094 -16.197 6.860 1.00 0.00 H new ATOM 87 N ASN A 6 1.300 -13.276 5.343 1.00 0.00 N ATOM 88 CA ASN A 6 0.094 -12.653 4.682 1.00 0.00 C ATOM 89 C ASN A 6 -0.058 -11.189 5.123 1.00 0.00 C ATOM 90 O ASN A 6 -0.047 -10.299 4.288 1.00 0.00 O ATOM 91 CB ASN A 6 -1.120 -13.485 5.124 1.00 0.00 C ATOM 92 CG ASN A 6 -1.194 -14.780 4.307 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.089 -15.858 4.851 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.382 -14.723 3.014 1.00 0.00 N ATOM 0 H ASN A 6 1.110 -14.122 5.880 1.00 0.00 H new ATOM 0 HA ASN A 6 0.191 -12.652 3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.044 -13.719 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.035 -12.908 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.440 -15.583 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.471 -13.819 2.551 1.00 0.00 H new ATOM 101 N LYS A 7 -0.157 -10.925 6.418 1.00 0.00 N ATOM 102 CA LYS A 7 -0.265 -9.501 6.881 1.00 0.00 C ATOM 103 C LYS A 7 1.076 -8.770 6.729 1.00 0.00 C ATOM 104 O LYS A 7 1.080 -7.601 6.436 1.00 0.00 O ATOM 105 CB LYS A 7 -0.726 -9.508 8.328 1.00 0.00 C ATOM 106 CG LYS A 7 -0.771 -8.069 8.842 1.00 0.00 C ATOM 107 CD LYS A 7 -1.252 -8.075 10.277 1.00 0.00 C ATOM 108 CE LYS A 7 -1.176 -6.656 10.862 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.545 -6.076 10.697 1.00 0.00 N ATOM 0 H LYS A 7 -0.167 -11.627 7.158 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.988 -8.964 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.711 -9.967 8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.047 -10.104 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.218 -7.615 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.438 -7.469 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.277 -8.442 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.642 -8.755 10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.885 -6.681 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.431 -6.056 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.598 -5.165 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.741 -5.930 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.249 -6.730 11.095 1.00 0.00 H new ATOM 123 N GLU A 8 2.205 -9.448 6.901 1.00 0.00 N ATOM 124 CA GLU A 8 3.539 -8.766 6.719 1.00 0.00 C ATOM 125 C GLU A 8 3.578 -8.136 5.333 1.00 0.00 C ATOM 126 O GLU A 8 4.086 -7.050 5.162 1.00 0.00 O ATOM 127 CB GLU A 8 4.620 -9.845 6.812 1.00 0.00 C ATOM 128 CG GLU A 8 5.086 -10.005 8.258 1.00 0.00 C ATOM 129 CD GLU A 8 6.083 -11.169 8.360 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.161 -11.057 7.794 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.756 -12.153 9.003 1.00 0.00 O ATOM 0 H GLU A 8 2.256 -10.434 7.157 1.00 0.00 H new ATOM 0 HA GLU A 8 3.696 -7.996 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.230 -10.793 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.465 -9.578 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.554 -9.083 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.230 -10.190 8.907 1.00 0.00 H new ATOM 138 N GLN A 9 3.003 -8.810 4.351 1.00 0.00 N ATOM 139 CA GLN A 9 2.949 -8.253 2.983 1.00 0.00 C ATOM 140 C GLN A 9 2.078 -6.990 2.993 1.00 0.00 C ATOM 141 O GLN A 9 2.519 -5.972 2.553 1.00 0.00 O ATOM 142 CB GLN A 9 2.313 -9.310 2.082 1.00 0.00 C ATOM 143 CG GLN A 9 3.262 -10.471 1.805 1.00 0.00 C ATOM 144 CD GLN A 9 2.529 -11.528 0.974 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.503 -11.451 -0.238 1.00 0.00 O ATOM 146 NE2 GLN A 9 1.927 -12.519 1.576 1.00 0.00 N ATOM 0 H GLN A 9 2.571 -9.728 4.457 1.00 0.00 H new ATOM 0 HA GLN A 9 3.945 -7.995 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.405 -9.688 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.016 -8.851 1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.144 -10.117 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.610 -10.904 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.948 -12.586 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.436 -13.226 1.028 1.00 0.00 H new ATOM 155 N GLN A 10 0.860 -7.045 3.537 1.00 0.00 N ATOM 156 CA GLN A 10 0.003 -5.784 3.600 1.00 0.00 C ATOM 157 C GLN A 10 0.636 -4.752 4.524 1.00 0.00 C ATOM 158 O GLN A 10 0.553 -3.583 4.247 1.00 0.00 O ATOM 159 CB GLN A 10 -1.451 -6.054 4.065 1.00 0.00 C ATOM 160 CG GLN A 10 -1.700 -7.400 4.770 1.00 0.00 C ATOM 161 CD GLN A 10 -2.612 -8.308 3.925 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.133 -7.901 2.908 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.851 -9.527 4.326 1.00 0.00 N ATOM 0 H GLN A 10 0.432 -7.884 3.930 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.043 -5.403 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.749 -5.253 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.105 -5.997 3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.749 -7.901 4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.157 -7.225 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.417 -9.877 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.472 -10.129 3.785 1.00 0.00 H new ATOM 172 N ASN A 11 1.279 -5.155 5.602 1.00 0.00 N ATOM 173 CA ASN A 11 1.932 -4.148 6.497 1.00 0.00 C ATOM 174 C ASN A 11 3.078 -3.501 5.722 1.00 0.00 C ATOM 175 O ASN A 11 3.179 -2.298 5.653 1.00 0.00 O ATOM 176 CB ASN A 11 2.474 -4.916 7.709 1.00 0.00 C ATOM 177 CG ASN A 11 2.599 -3.962 8.901 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.635 -3.720 9.599 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.749 -3.398 9.158 1.00 0.00 N ATOM 0 H ASN A 11 1.377 -6.127 5.895 1.00 0.00 H new ATOM 0 HA ASN A 11 1.240 -3.371 6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.807 -5.742 7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.445 -5.351 7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.837 -2.755 9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.559 -3.601 8.572 1.00 0.00 H new ATOM 186 N ALA A 12 3.908 -4.313 5.089 1.00 0.00 N ATOM 187 CA ALA A 12 5.027 -3.772 4.257 1.00 0.00 C ATOM 188 C ALA A 12 4.435 -3.016 3.061 1.00 0.00 C ATOM 189 O ALA A 12 4.851 -1.923 2.762 1.00 0.00 O ATOM 190 CB ALA A 12 5.816 -4.995 3.779 1.00 0.00 C ATOM 0 H ALA A 12 3.851 -5.331 5.118 1.00 0.00 H new ATOM 0 HA ALA A 12 5.666 -3.083 4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.653 -4.669 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.193 -5.545 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.164 -5.643 3.193 1.00 0.00 H new ATOM 196 N PHE A 13 3.428 -3.593 2.420 1.00 0.00 N ATOM 197 CA PHE A 13 2.727 -2.932 1.265 1.00 0.00 C ATOM 198 C PHE A 13 2.245 -1.558 1.726 1.00 0.00 C ATOM 199 O PHE A 13 2.604 -0.543 1.166 1.00 0.00 O ATOM 200 CB PHE A 13 1.508 -3.854 0.951 1.00 0.00 C ATOM 201 CG PHE A 13 0.558 -3.199 -0.014 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.042 -2.599 -1.169 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.815 -3.238 0.234 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.157 -2.035 -2.075 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.701 -2.666 -0.672 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.217 -2.069 -1.823 1.00 0.00 C ATOM 0 H PHE A 13 3.060 -4.514 2.659 1.00 0.00 H new ATOM 0 HA PHE A 13 3.363 -2.800 0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.861 -4.797 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.983 -4.092 1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.104 -2.572 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.189 -3.712 1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.530 -1.569 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.763 -2.687 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.904 -1.627 -2.529 1.00 0.00 H new ATOM 216 N TYR A 14 1.461 -1.558 2.778 1.00 0.00 N ATOM 217 CA TYR A 14 0.923 -0.306 3.368 1.00 0.00 C ATOM 218 C TYR A 14 2.052 0.662 3.714 1.00 0.00 C ATOM 219 O TYR A 14 2.039 1.784 3.284 1.00 0.00 O ATOM 220 CB TYR A 14 0.252 -0.760 4.644 1.00 0.00 C ATOM 221 CG TYR A 14 -0.480 0.383 5.265 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.749 0.702 4.818 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.088 1.083 6.331 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.459 1.693 5.412 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.626 2.115 6.933 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.912 2.423 6.478 1.00 0.00 C ATOM 227 OH TYR A 14 -2.651 3.424 7.086 1.00 0.00 O ATOM 0 H TYR A 14 1.167 -2.406 3.262 1.00 0.00 H new ATOM 0 HA TYR A 14 0.253 0.213 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.440 -1.575 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.997 -1.148 5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.178 0.158 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.075 0.825 6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.454 1.922 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.189 2.675 7.747 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.124 3.828 7.806 1.00 0.00 H new ATOM 237 N GLU A 15 3.036 0.219 4.479 1.00 0.00 N ATOM 238 CA GLU A 15 4.169 1.128 4.847 1.00 0.00 C ATOM 239 C GLU A 15 4.847 1.639 3.569 1.00 0.00 C ATOM 240 O GLU A 15 5.104 2.814 3.462 1.00 0.00 O ATOM 241 CB GLU A 15 5.126 0.298 5.710 1.00 0.00 C ATOM 242 CG GLU A 15 4.484 -0.036 7.076 1.00 0.00 C ATOM 243 CD GLU A 15 4.146 1.251 7.844 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.059 2.017 8.120 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.978 1.449 8.136 1.00 0.00 O ATOM 0 H GLU A 15 3.097 -0.726 4.858 1.00 0.00 H new ATOM 0 HA GLU A 15 3.835 2.005 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.385 -0.624 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.054 0.849 5.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.579 -0.624 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.167 -0.649 7.665 1.00 0.00 H new ATOM 252 N ILE A 16 5.069 0.782 2.576 1.00 0.00 N ATOM 253 CA ILE A 16 5.658 1.261 1.268 1.00 0.00 C ATOM 254 C ILE A 16 4.783 2.410 0.718 1.00 0.00 C ATOM 255 O ILE A 16 5.288 3.458 0.350 1.00 0.00 O ATOM 256 CB ILE A 16 5.671 0.010 0.347 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.997 -0.728 0.576 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.542 0.384 -1.139 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.766 -2.232 0.616 1.00 0.00 C ATOM 0 H ILE A 16 4.869 -0.217 2.618 1.00 0.00 H new ATOM 0 HA ILE A 16 6.667 1.664 1.357 1.00 0.00 H new ATOM 0 HB ILE A 16 4.816 -0.619 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.700 -0.482 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.448 -0.398 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.556 -0.522 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.603 0.914 -1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.375 1.025 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.716 -2.742 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.080 -2.473 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.336 -2.559 -0.331 1.00 0.00 H new ATOM 271 N LEU A 17 3.475 2.222 0.707 1.00 0.00 N ATOM 272 CA LEU A 17 2.534 3.310 0.232 1.00 0.00 C ATOM 273 C LEU A 17 2.503 4.494 1.234 1.00 0.00 C ATOM 274 O LEU A 17 2.377 5.633 0.848 1.00 0.00 O ATOM 275 CB LEU A 17 1.130 2.676 0.160 1.00 0.00 C ATOM 276 CG LEU A 17 1.113 1.514 -0.838 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.398 0.324 -0.252 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.355 1.870 -2.087 1.00 0.00 C ATOM 0 H LEU A 17 3.016 1.362 1.006 1.00 0.00 H new ATOM 0 HA LEU A 17 2.861 3.697 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.835 2.319 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.400 3.429 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 17 2.156 1.292 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.396 -0.492 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.909 0.003 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.629 0.599 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.364 1.022 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.675 2.118 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.826 2.728 -2.566 1.00 0.00 H new ATOM 290 N HIS A 18 2.593 4.225 2.524 1.00 0.00 N ATOM 291 CA HIS A 18 2.539 5.326 3.551 1.00 0.00 C ATOM 292 C HIS A 18 3.931 5.952 3.829 1.00 0.00 C ATOM 293 O HIS A 18 4.033 6.852 4.648 1.00 0.00 O ATOM 294 CB HIS A 18 1.946 4.675 4.822 1.00 0.00 C ATOM 295 CG HIS A 18 0.458 4.454 4.632 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.501 5.354 5.084 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.253 3.467 3.993 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.706 4.879 4.695 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.593 3.763 4.021 1.00 0.00 N ATOM 0 H HIS A 18 2.702 3.287 2.909 1.00 0.00 H new ATOM 0 HA HIS A 18 1.929 6.157 3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.442 3.726 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.122 5.315 5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.179 2.589 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.647 5.362 4.914 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.349 3.222 3.601 1.00 0.00 H new ATOM 307 N LEU A 19 4.993 5.521 3.152 1.00 0.00 N ATOM 308 CA LEU A 19 6.346 6.141 3.391 1.00 0.00 C ATOM 309 C LEU A 19 6.375 7.534 2.724 1.00 0.00 C ATOM 310 O LEU A 19 6.095 7.652 1.542 1.00 0.00 O ATOM 311 CB LEU A 19 7.389 5.197 2.756 1.00 0.00 C ATOM 312 CG LEU A 19 7.807 4.103 3.759 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.698 3.069 3.064 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.572 4.718 4.938 1.00 0.00 C ATOM 0 H LEU A 19 4.975 4.776 2.455 1.00 0.00 H new ATOM 0 HA LEU A 19 6.561 6.269 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.974 4.737 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.264 5.768 2.446 1.00 0.00 H new ATOM 0 HG LEU A 19 6.905 3.618 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.989 2.300 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.150 2.611 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.591 3.560 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.859 3.931 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.466 5.220 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.935 5.440 5.448 1.00 0.00 H new ATOM 326 N PRO A 20 6.673 8.555 3.516 1.00 0.00 N ATOM 327 CA PRO A 20 6.691 9.968 3.010 1.00 0.00 C ATOM 328 C PRO A 20 7.755 10.254 1.924 1.00 0.00 C ATOM 329 O PRO A 20 7.646 11.259 1.239 1.00 0.00 O ATOM 330 CB PRO A 20 6.961 10.795 4.269 1.00 0.00 C ATOM 331 CG PRO A 20 7.640 9.854 5.204 1.00 0.00 C ATOM 332 CD PRO A 20 7.028 8.507 4.949 1.00 0.00 C ATOM 0 HA PRO A 20 5.754 10.206 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.591 11.657 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.035 11.178 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.715 9.834 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.494 10.160 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.730 7.701 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.151 8.340 5.574 1.00 0.00 H new ATOM 340 N ASN A 21 8.776 9.424 1.747 1.00 0.00 N ATOM 341 CA ASN A 21 9.808 9.728 0.695 1.00 0.00 C ATOM 342 C ASN A 21 9.867 8.636 -0.396 1.00 0.00 C ATOM 343 O ASN A 21 10.768 8.647 -1.219 1.00 0.00 O ATOM 344 CB ASN A 21 11.140 9.848 1.448 1.00 0.00 C ATOM 345 CG ASN A 21 11.085 11.046 2.409 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.275 12.172 1.999 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.827 10.850 3.673 1.00 0.00 N ATOM 0 H ASN A 21 8.932 8.567 2.278 1.00 0.00 H new ATOM 0 HA ASN A 21 9.565 10.646 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.338 8.932 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.959 9.975 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.785 11.642 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.667 9.904 4.020 1.00 0.00 H new ATOM 354 N LEU A 22 8.902 7.723 -0.448 1.00 0.00 N ATOM 355 CA LEU A 22 8.915 6.686 -1.534 1.00 0.00 C ATOM 356 C LEU A 22 8.198 7.239 -2.765 1.00 0.00 C ATOM 357 O LEU A 22 7.179 7.907 -2.660 1.00 0.00 O ATOM 358 CB LEU A 22 8.192 5.430 -0.999 1.00 0.00 C ATOM 359 CG LEU A 22 9.138 4.522 -0.173 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.673 3.070 -0.287 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.576 4.592 -0.690 1.00 0.00 C ATOM 0 H LEU A 22 8.123 7.659 0.207 1.00 0.00 H new ATOM 0 HA LEU A 22 9.935 6.428 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.349 5.734 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.784 4.863 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 22 9.110 4.869 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.337 2.429 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.657 2.982 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.694 2.762 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.211 3.943 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.605 4.265 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.937 5.618 -0.622 1.00 0.00 H new ATOM 373 N ASN A 23 8.732 6.959 -3.928 1.00 0.00 N ATOM 374 CA ASN A 23 8.109 7.459 -5.203 1.00 0.00 C ATOM 375 C ASN A 23 7.458 6.312 -5.976 1.00 0.00 C ATOM 376 O ASN A 23 7.408 5.192 -5.512 1.00 0.00 O ATOM 377 CB ASN A 23 9.237 8.116 -6.032 1.00 0.00 C ATOM 378 CG ASN A 23 10.478 7.213 -6.116 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.472 6.221 -6.809 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.545 7.518 -5.427 1.00 0.00 N ATOM 0 H ASN A 23 9.578 6.403 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 23 7.321 8.181 -4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.873 8.330 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.511 9.071 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.370 6.921 -5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.553 8.354 -4.842 1.00 0.00 H new ATOM 387 N GLU A 24 6.959 6.594 -7.155 1.00 0.00 N ATOM 388 CA GLU A 24 6.294 5.530 -7.984 1.00 0.00 C ATOM 389 C GLU A 24 7.267 4.379 -8.297 1.00 0.00 C ATOM 390 O GLU A 24 6.871 3.229 -8.311 1.00 0.00 O ATOM 391 CB GLU A 24 5.842 6.246 -9.276 1.00 0.00 C ATOM 392 CG GLU A 24 5.344 5.235 -10.333 1.00 0.00 C ATOM 393 CD GLU A 24 4.051 4.549 -9.876 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.092 5.245 -9.572 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.034 3.330 -9.856 1.00 0.00 O ATOM 0 H GLU A 24 6.982 7.519 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 24 5.454 5.075 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.046 6.953 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.672 6.823 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.172 5.749 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.113 4.484 -10.513 1.00 0.00 H new ATOM 402 N GLU A 25 8.526 4.681 -8.542 1.00 0.00 N ATOM 403 CA GLU A 25 9.522 3.602 -8.855 1.00 0.00 C ATOM 404 C GLU A 25 9.784 2.723 -7.615 1.00 0.00 C ATOM 405 O GLU A 25 9.761 1.516 -7.710 1.00 0.00 O ATOM 406 CB GLU A 25 10.799 4.339 -9.290 1.00 0.00 C ATOM 407 CG GLU A 25 11.857 3.332 -9.761 1.00 0.00 C ATOM 408 CD GLU A 25 13.165 4.065 -10.081 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.792 4.563 -9.156 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.522 4.115 -11.246 1.00 0.00 O ATOM 0 H GLU A 25 8.905 5.628 -8.538 1.00 0.00 H new ATOM 0 HA GLU A 25 9.162 2.931 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.568 5.038 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.190 4.926 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.029 2.583 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.501 2.802 -10.645 1.00 0.00 H new ATOM 417 N GLN A 26 10.032 3.322 -6.465 1.00 0.00 N ATOM 418 CA GLN A 26 10.306 2.508 -5.221 1.00 0.00 C ATOM 419 C GLN A 26 9.018 1.904 -4.640 1.00 0.00 C ATOM 420 O GLN A 26 8.959 0.720 -4.373 1.00 0.00 O ATOM 421 CB GLN A 26 10.949 3.475 -4.208 1.00 0.00 C ATOM 422 CG GLN A 26 12.272 4.050 -4.754 1.00 0.00 C ATOM 423 CD GLN A 26 13.174 2.938 -5.328 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.342 1.895 -4.732 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.765 3.124 -6.474 1.00 0.00 N ATOM 0 H GLN A 26 10.057 4.333 -6.333 1.00 0.00 H new ATOM 0 HA GLN A 26 10.961 1.668 -5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.258 4.289 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.135 2.953 -3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.058 4.784 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.800 4.573 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.629 3.998 -6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.363 2.396 -6.863 1.00 0.00 H new ATOM 434 N ARG A 27 8.006 2.718 -4.436 1.00 0.00 N ATOM 435 CA ARG A 27 6.706 2.235 -3.841 1.00 0.00 C ATOM 436 C ARG A 27 6.081 1.077 -4.665 1.00 0.00 C ATOM 437 O ARG A 27 5.739 0.045 -4.119 1.00 0.00 O ATOM 438 CB ARG A 27 5.794 3.470 -3.919 1.00 0.00 C ATOM 439 CG ARG A 27 4.607 3.389 -2.956 1.00 0.00 C ATOM 440 CD ARG A 27 3.447 2.525 -3.503 1.00 0.00 C ATOM 441 NE ARG A 27 3.396 2.685 -5.004 1.00 0.00 N ATOM 442 CZ ARG A 27 3.176 3.857 -5.578 1.00 0.00 C ATOM 443 NH1 ARG A 27 2.551 4.808 -4.940 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.599 4.075 -6.794 1.00 0.00 N ATOM 0 H ARG A 27 8.023 3.713 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 27 6.845 1.845 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.378 4.363 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.423 3.579 -4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.944 2.976 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.240 4.395 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.597 1.478 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.502 2.834 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 27 3.535 1.864 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.225 4.653 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.389 5.706 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.098 3.343 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.431 4.977 -7.238 1.00 0.00 H new ATOM 458 N ASN A 28 5.924 1.255 -5.971 1.00 0.00 N ATOM 459 CA ASN A 28 5.303 0.180 -6.836 1.00 0.00 C ATOM 460 C ASN A 28 6.236 -1.023 -6.987 1.00 0.00 C ATOM 461 O ASN A 28 5.788 -2.151 -6.926 1.00 0.00 O ATOM 462 CB ASN A 28 5.054 0.840 -8.187 1.00 0.00 C ATOM 463 CG ASN A 28 4.426 -0.155 -9.170 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.458 -0.820 -8.854 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.938 -0.286 -10.363 1.00 0.00 N ATOM 0 H ASN A 28 6.200 2.099 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 28 4.384 -0.203 -6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.395 1.699 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.994 1.215 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.526 -0.944 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.750 0.269 -10.633 1.00 0.00 H new ATOM 472 N ALA A 29 7.526 -0.790 -7.170 1.00 0.00 N ATOM 473 CA ALA A 29 8.494 -1.934 -7.301 1.00 0.00 C ATOM 474 C ALA A 29 8.419 -2.806 -6.051 1.00 0.00 C ATOM 475 O ALA A 29 8.492 -4.017 -6.128 1.00 0.00 O ATOM 476 CB ALA A 29 9.859 -1.290 -7.386 1.00 0.00 C ATOM 0 H ALA A 29 7.944 0.138 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 29 8.280 -2.561 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.621 -2.063 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.897 -0.632 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.045 -0.710 -6.482 1.00 0.00 H new ATOM 482 N PHE A 30 8.227 -2.183 -4.906 1.00 0.00 N ATOM 483 CA PHE A 30 8.081 -2.946 -3.637 1.00 0.00 C ATOM 484 C PHE A 30 6.829 -3.777 -3.693 1.00 0.00 C ATOM 485 O PHE A 30 6.848 -4.928 -3.353 1.00 0.00 O ATOM 486 CB PHE A 30 7.990 -1.895 -2.540 1.00 0.00 C ATOM 487 CG PHE A 30 9.383 -1.405 -2.213 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.500 -2.231 -2.437 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.563 -0.137 -1.668 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.763 -1.796 -2.113 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.842 0.299 -1.354 1.00 0.00 C ATOM 492 CZ PHE A 30 11.940 -0.543 -1.574 1.00 0.00 C ATOM 0 H PHE A 30 8.166 -1.170 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 30 8.913 -3.628 -3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.365 -1.064 -2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.521 -2.317 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.364 -3.213 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.712 0.504 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.615 -2.437 -2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.991 1.286 -0.941 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.934 -0.205 -1.318 1.00 0.00 H new ATOM 502 N ILE A 31 5.763 -3.209 -4.177 1.00 0.00 N ATOM 503 CA ILE A 31 4.500 -3.976 -4.328 1.00 0.00 C ATOM 504 C ILE A 31 4.721 -5.116 -5.347 1.00 0.00 C ATOM 505 O ILE A 31 4.121 -6.156 -5.219 1.00 0.00 O ATOM 506 CB ILE A 31 3.476 -2.930 -4.774 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.255 -1.969 -3.604 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.167 -3.594 -5.141 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.656 -0.663 -4.093 1.00 0.00 C ATOM 0 H ILE A 31 5.713 -2.236 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 31 4.154 -4.470 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 31 3.843 -2.397 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.592 -2.427 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.202 -1.775 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.450 -2.836 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.332 -4.298 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.774 -4.127 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.506 0.008 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.333 -0.198 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.698 -0.860 -4.574 1.00 0.00 H new ATOM 521 N GLN A 32 5.627 -4.955 -6.313 1.00 0.00 N ATOM 522 CA GLN A 32 5.923 -6.076 -7.277 1.00 0.00 C ATOM 523 C GLN A 32 6.721 -7.175 -6.537 1.00 0.00 C ATOM 524 O GLN A 32 6.345 -8.331 -6.550 1.00 0.00 O ATOM 525 CB GLN A 32 6.755 -5.457 -8.412 1.00 0.00 C ATOM 526 CG GLN A 32 5.870 -4.532 -9.249 1.00 0.00 C ATOM 527 CD GLN A 32 6.694 -3.866 -10.354 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.212 -2.783 -10.173 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.832 -4.465 -11.507 1.00 0.00 N ATOM 0 H GLN A 32 6.164 -4.101 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 32 5.018 -6.534 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.594 -4.898 -7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.174 -6.243 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.051 -5.101 -9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.422 -3.770 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.399 -5.375 -11.664 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.373 -4.023 -12.250 1.00 0.00 H new ATOM 538 N SER A 33 7.793 -6.798 -5.855 1.00 0.00 N ATOM 539 CA SER A 33 8.613 -7.786 -5.055 1.00 0.00 C ATOM 540 C SER A 33 7.800 -8.345 -3.865 1.00 0.00 C ATOM 541 O SER A 33 8.019 -9.457 -3.425 1.00 0.00 O ATOM 542 CB SER A 33 9.837 -6.999 -4.562 1.00 0.00 C ATOM 543 OG SER A 33 9.421 -5.776 -3.974 1.00 0.00 O ATOM 0 H SER A 33 8.137 -5.838 -5.819 1.00 0.00 H new ATOM 0 HA SER A 33 8.904 -8.647 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.392 -7.592 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.512 -6.801 -5.394 1.00 0.00 H new ATOM 0 HG SER A 33 8.450 -5.791 -3.839 1.00 0.00 H new ATOM 549 N LEU A 34 6.876 -7.564 -3.348 1.00 0.00 N ATOM 550 CA LEU A 34 6.028 -7.983 -2.184 1.00 0.00 C ATOM 551 C LEU A 34 4.845 -8.869 -2.637 1.00 0.00 C ATOM 552 O LEU A 34 4.587 -9.898 -2.035 1.00 0.00 O ATOM 553 CB LEU A 34 5.545 -6.645 -1.605 1.00 0.00 C ATOM 554 CG LEU A 34 4.828 -6.839 -0.277 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.842 -6.967 0.836 1.00 0.00 C ATOM 556 CD2 LEU A 34 3.960 -5.623 -0.001 1.00 0.00 C ATOM 0 H LEU A 34 6.670 -6.628 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 34 6.568 -8.589 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.396 -5.979 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.874 -6.161 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 34 4.217 -7.741 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.325 -7.106 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.486 -7.825 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.448 -6.062 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.442 -5.754 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.586 -4.732 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.228 -5.510 -0.800 1.00 0.00 H new ATOM 568 N LYS A 35 4.128 -8.477 -3.691 1.00 0.00 N ATOM 569 CA LYS A 35 2.958 -9.301 -4.183 1.00 0.00 C ATOM 570 C LYS A 35 3.452 -10.678 -4.677 1.00 0.00 C ATOM 571 O LYS A 35 2.733 -11.657 -4.589 1.00 0.00 O ATOM 572 CB LYS A 35 2.270 -8.478 -5.313 1.00 0.00 C ATOM 573 CG LYS A 35 1.141 -7.625 -4.739 1.00 0.00 C ATOM 574 CD LYS A 35 -0.097 -7.739 -5.635 1.00 0.00 C ATOM 575 CE LYS A 35 -1.364 -7.699 -4.765 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.865 -9.105 -4.714 1.00 0.00 N ATOM 0 H LYS A 35 4.306 -7.626 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 35 2.239 -9.501 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.004 -7.839 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.875 -9.152 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.902 -7.954 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.457 -6.584 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.113 -6.923 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.063 -8.668 -6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.141 -7.327 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.112 -7.032 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.587 -9.190 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.283 -9.358 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.075 -9.748 -4.504 1.00 0.00 H new ATOM 590 N ASP A 36 4.683 -10.758 -5.164 1.00 0.00 N ATOM 591 CA ASP A 36 5.245 -12.072 -5.629 1.00 0.00 C ATOM 592 C ASP A 36 6.021 -12.790 -4.497 1.00 0.00 C ATOM 593 O ASP A 36 6.021 -14.009 -4.442 1.00 0.00 O ATOM 594 CB ASP A 36 6.182 -11.725 -6.798 1.00 0.00 C ATOM 595 CG ASP A 36 5.351 -11.398 -8.048 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.954 -12.328 -8.730 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.128 -10.225 -8.302 1.00 0.00 O ATOM 0 H ASP A 36 5.318 -9.965 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 36 4.452 -12.757 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.809 -10.874 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.850 -12.562 -7.002 1.00 0.00 H new ATOM 602 N ASP A 37 6.680 -12.060 -3.599 1.00 0.00 N ATOM 603 CA ASP A 37 7.451 -12.726 -2.485 1.00 0.00 C ATOM 604 C ASP A 37 6.886 -12.341 -1.095 1.00 0.00 C ATOM 605 O ASP A 37 7.130 -11.246 -0.611 1.00 0.00 O ATOM 606 CB ASP A 37 8.907 -12.246 -2.627 1.00 0.00 C ATOM 607 CG ASP A 37 9.856 -13.305 -2.047 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.813 -13.527 -0.844 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.609 -13.878 -2.816 1.00 0.00 O ATOM 0 H ASP A 37 6.713 -11.041 -3.595 1.00 0.00 H new ATOM 0 HA ASP A 37 7.375 -13.811 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.142 -12.068 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.041 -11.298 -2.106 1.00 0.00 H new ATOM 614 N PRO A 38 6.151 -13.269 -0.493 1.00 0.00 N ATOM 615 CA PRO A 38 5.556 -13.038 0.861 1.00 0.00 C ATOM 616 C PRO A 38 6.631 -13.006 1.978 1.00 0.00 C ATOM 617 O PRO A 38 6.476 -12.300 2.960 1.00 0.00 O ATOM 618 CB PRO A 38 4.631 -14.243 1.045 1.00 0.00 C ATOM 619 CG PRO A 38 5.212 -15.307 0.178 1.00 0.00 C ATOM 620 CD PRO A 38 5.795 -14.603 -1.011 1.00 0.00 C ATOM 0 HA PRO A 38 5.048 -12.076 0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.595 -14.558 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.609 -14.006 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.978 -15.870 0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.447 -16.021 -0.128 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.669 -15.128 -1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.076 -14.536 -1.828 1.00 0.00 H new ATOM 628 N SER A 39 7.696 -13.778 1.846 1.00 0.00 N ATOM 629 CA SER A 39 8.770 -13.810 2.906 1.00 0.00 C ATOM 630 C SER A 39 9.651 -12.547 2.891 1.00 0.00 C ATOM 631 O SER A 39 10.115 -12.114 3.933 1.00 0.00 O ATOM 632 CB SER A 39 9.617 -15.053 2.598 1.00 0.00 C ATOM 633 OG SER A 39 8.812 -16.220 2.724 1.00 0.00 O ATOM 0 H SER A 39 7.867 -14.389 1.047 1.00 0.00 H new ATOM 0 HA SER A 39 8.322 -13.845 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.025 -14.987 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.464 -15.107 3.282 1.00 0.00 H new ATOM 0 HG SER A 39 8.434 -16.261 3.627 1.00 0.00 H new ATOM 639 N GLN A 40 9.888 -11.950 1.734 1.00 0.00 N ATOM 640 CA GLN A 40 10.750 -10.716 1.674 1.00 0.00 C ATOM 641 C GLN A 40 9.967 -9.444 2.057 1.00 0.00 C ATOM 642 O GLN A 40 10.520 -8.370 2.016 1.00 0.00 O ATOM 643 CB GLN A 40 11.214 -10.605 0.211 1.00 0.00 C ATOM 644 CG GLN A 40 12.634 -10.033 0.165 1.00 0.00 C ATOM 645 CD GLN A 40 12.878 -9.350 -1.187 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.872 -9.995 -2.217 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.099 -8.065 -1.226 1.00 0.00 N ATOM 0 H GLN A 40 9.523 -12.264 0.835 1.00 0.00 H new ATOM 0 HA GLN A 40 11.578 -10.799 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.190 -11.586 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.534 -9.963 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.773 -9.317 0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.362 -10.830 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.104 -7.522 -0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.266 -7.603 -2.120 1.00 0.00 H new ATOM 656 N SER A 41 8.689 -9.545 2.388 1.00 0.00 N ATOM 657 CA SER A 41 7.872 -8.318 2.715 1.00 0.00 C ATOM 658 C SER A 41 8.482 -7.461 3.823 1.00 0.00 C ATOM 659 O SER A 41 8.584 -6.263 3.658 1.00 0.00 O ATOM 660 CB SER A 41 6.503 -8.838 3.160 1.00 0.00 C ATOM 661 OG SER A 41 5.988 -9.704 2.166 1.00 0.00 O ATOM 0 H SER A 41 8.178 -10.426 2.445 1.00 0.00 H new ATOM 0 HA SER A 41 7.822 -7.670 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.593 -9.367 4.109 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.820 -8.005 3.323 1.00 0.00 H new ATOM 0 HG SER A 41 6.194 -10.632 2.402 1.00 0.00 H new ATOM 667 N ALA A 42 8.889 -8.035 4.939 1.00 0.00 N ATOM 668 CA ALA A 42 9.502 -7.181 6.014 1.00 0.00 C ATOM 669 C ALA A 42 10.749 -6.494 5.462 1.00 0.00 C ATOM 670 O ALA A 42 10.902 -5.300 5.595 1.00 0.00 O ATOM 671 CB ALA A 42 9.926 -8.118 7.112 1.00 0.00 C ATOM 0 H ALA A 42 8.825 -9.031 5.148 1.00 0.00 H new ATOM 0 HA ALA A 42 8.799 -6.427 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.380 -7.547 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.055 -8.654 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.651 -8.832 6.721 1.00 0.00 H new ATOM 677 N ASN A 43 11.615 -7.254 4.804 1.00 0.00 N ATOM 678 CA ASN A 43 12.836 -6.662 4.172 1.00 0.00 C ATOM 679 C ASN A 43 12.406 -5.598 3.181 1.00 0.00 C ATOM 680 O ASN A 43 13.022 -4.577 3.084 1.00 0.00 O ATOM 681 CB ASN A 43 13.502 -7.786 3.393 1.00 0.00 C ATOM 682 CG ASN A 43 14.588 -8.452 4.244 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.443 -9.588 4.645 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.676 -7.790 4.539 1.00 0.00 N ATOM 0 H ASN A 43 11.518 -8.262 4.683 1.00 0.00 H new ATOM 0 HA ASN A 43 13.500 -6.227 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.757 -8.525 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.940 -7.392 2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.402 -8.228 5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.799 -6.835 4.202 1.00 0.00 H new ATOM 691 N LEU A 44 11.326 -5.856 2.461 1.00 0.00 N ATOM 692 CA LEU A 44 10.796 -4.870 1.474 1.00 0.00 C ATOM 693 C LEU A 44 10.361 -3.631 2.172 1.00 0.00 C ATOM 694 O LEU A 44 10.673 -2.543 1.730 1.00 0.00 O ATOM 695 CB LEU A 44 9.626 -5.539 0.790 1.00 0.00 C ATOM 696 CG LEU A 44 10.184 -6.466 -0.254 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.031 -7.213 -0.900 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.965 -5.618 -1.261 1.00 0.00 C ATOM 0 H LEU A 44 10.790 -6.722 2.524 1.00 0.00 H new ATOM 0 HA LEU A 44 11.557 -4.581 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.025 -6.092 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.973 -4.796 0.333 1.00 0.00 H new ATOM 0 HG LEU A 44 10.861 -7.207 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.418 -7.891 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.498 -7.785 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.349 -6.500 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.383 -6.264 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.296 -4.890 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.773 -5.096 -0.748 1.00 0.00 H new ATOM 710 N LEU A 45 9.695 -3.769 3.286 1.00 0.00 N ATOM 711 CA LEU A 45 9.340 -2.550 4.022 1.00 0.00 C ATOM 712 C LEU A 45 10.639 -1.942 4.540 1.00 0.00 C ATOM 713 O LEU A 45 10.858 -0.794 4.353 1.00 0.00 O ATOM 714 CB LEU A 45 8.415 -2.956 5.151 1.00 0.00 C ATOM 715 CG LEU A 45 8.285 -1.805 6.152 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.992 -0.492 5.406 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.153 -2.130 7.119 1.00 0.00 C ATOM 0 H LEU A 45 9.394 -4.651 3.700 1.00 0.00 H new ATOM 0 HA LEU A 45 8.829 -1.810 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.434 -3.218 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.804 -3.843 5.651 1.00 0.00 H new ATOM 0 HG LEU A 45 9.216 -1.683 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.901 0.322 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.807 -0.276 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.060 -0.590 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.046 -1.320 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.222 -2.246 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.379 -3.057 7.646 1.00 0.00 H new ATOM 729 N ALA A 46 11.514 -2.725 5.142 1.00 0.00 N ATOM 730 CA ALA A 46 12.828 -2.167 5.632 1.00 0.00 C ATOM 731 C ALA A 46 13.577 -1.453 4.508 1.00 0.00 C ATOM 732 O ALA A 46 14.085 -0.379 4.718 1.00 0.00 O ATOM 733 CB ALA A 46 13.667 -3.368 6.031 1.00 0.00 C ATOM 0 H ALA A 46 11.377 -3.721 5.315 1.00 0.00 H new ATOM 0 HA ALA A 46 12.653 -1.461 6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.636 -3.029 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.156 -3.923 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.811 -4.015 5.166 1.00 0.00 H new ATOM 739 N GLU A 47 13.642 -2.031 3.321 1.00 0.00 N ATOM 740 CA GLU A 47 14.342 -1.342 2.197 1.00 0.00 C ATOM 741 C GLU A 47 13.503 -0.126 1.799 1.00 0.00 C ATOM 742 O GLU A 47 14.050 0.919 1.531 1.00 0.00 O ATOM 743 CB GLU A 47 14.580 -2.352 1.058 1.00 0.00 C ATOM 744 CG GLU A 47 13.318 -3.005 0.562 1.00 0.00 C ATOM 745 CD GLU A 47 13.705 -4.239 -0.267 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.895 -4.097 -1.463 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.826 -5.306 0.314 1.00 0.00 O ATOM 0 H GLU A 47 13.242 -2.941 3.093 1.00 0.00 H new ATOM 0 HA GLU A 47 15.328 -0.974 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.067 -1.842 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.267 -3.124 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.686 -3.295 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.742 -2.306 -0.044 1.00 0.00 H new ATOM 754 N ALA A 48 12.179 -0.218 1.848 1.00 0.00 N ATOM 755 CA ALA A 48 11.343 0.985 1.587 1.00 0.00 C ATOM 756 C ALA A 48 11.583 2.026 2.715 1.00 0.00 C ATOM 757 O ALA A 48 11.686 3.208 2.457 1.00 0.00 O ATOM 758 CB ALA A 48 9.923 0.453 1.631 1.00 0.00 C ATOM 0 H ALA A 48 11.661 -1.072 2.056 1.00 0.00 H new ATOM 0 HA ALA A 48 11.566 1.481 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.223 1.269 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.797 -0.311 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.727 0.019 2.612 1.00 0.00 H new ATOM 764 N LYS A 49 11.740 1.558 3.952 1.00 0.00 N ATOM 765 CA LYS A 49 12.052 2.446 5.127 1.00 0.00 C ATOM 766 C LYS A 49 13.448 3.038 4.900 1.00 0.00 C ATOM 767 O LYS A 49 13.705 4.207 5.123 1.00 0.00 O ATOM 768 CB LYS A 49 12.087 1.493 6.345 1.00 0.00 C ATOM 769 CG LYS A 49 10.691 1.002 6.727 1.00 0.00 C ATOM 770 CD LYS A 49 9.778 2.177 7.022 1.00 0.00 C ATOM 771 CE LYS A 49 8.550 1.669 7.779 1.00 0.00 C ATOM 772 NZ LYS A 49 8.372 2.588 8.943 1.00 0.00 N ATOM 0 H LYS A 49 11.661 0.570 4.192 1.00 0.00 H new ATOM 0 HA LYS A 49 11.335 3.255 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.723 0.637 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.536 2.007 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.274 0.405 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.753 0.354 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.305 2.924 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.475 2.662 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.668 1.675 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.695 0.641 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.545 2.289 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.221 2.557 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.226 3.559 8.600 1.00 0.00 H new ATOM 786 N LYS A 50 14.324 2.188 4.409 1.00 0.00 N ATOM 787 CA LYS A 50 15.728 2.558 4.064 1.00 0.00 C ATOM 788 C LYS A 50 15.698 3.611 2.942 1.00 0.00 C ATOM 789 O LYS A 50 16.442 4.573 2.967 1.00 0.00 O ATOM 790 CB LYS A 50 16.325 1.207 3.611 1.00 0.00 C ATOM 791 CG LYS A 50 17.510 1.354 2.649 1.00 0.00 C ATOM 792 CD LYS A 50 17.546 0.119 1.730 1.00 0.00 C ATOM 793 CE LYS A 50 17.995 -1.117 2.528 1.00 0.00 C ATOM 794 NZ LYS A 50 18.220 -2.189 1.513 1.00 0.00 N ATOM 0 H LYS A 50 14.105 1.208 4.228 1.00 0.00 H new ATOM 0 HA LYS A 50 16.312 3.004 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.648 0.648 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.546 0.618 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.408 2.264 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.443 1.439 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.559 -0.054 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.229 0.294 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.906 -0.911 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.235 -1.414 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.528 -3.060 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.335 -2.371 0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.954 -1.884 0.842 1.00 0.00 H new ATOM 808 N LEU A 51 14.803 3.434 1.985 1.00 0.00 N ATOM 809 CA LEU A 51 14.662 4.418 0.866 1.00 0.00 C ATOM 810 C LEU A 51 14.019 5.706 1.382 1.00 0.00 C ATOM 811 O LEU A 51 14.347 6.786 0.941 1.00 0.00 O ATOM 812 CB LEU A 51 13.721 3.750 -0.143 1.00 0.00 C ATOM 813 CG LEU A 51 14.490 3.048 -1.267 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.793 2.417 -0.764 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.610 1.947 -1.824 1.00 0.00 C ATOM 0 H LEU A 51 14.163 2.641 1.938 1.00 0.00 H new ATOM 0 HA LEU A 51 15.626 4.675 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.091 3.025 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.057 4.501 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 51 14.744 3.790 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.306 1.930 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.435 3.192 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.567 1.679 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.137 1.432 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.371 1.237 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.688 2.380 -2.213 1.00 0.00 H new ATOM 827 N ASN A 52 13.100 5.577 2.317 1.00 0.00 N ATOM 828 CA ASN A 52 12.404 6.763 2.897 1.00 0.00 C ATOM 829 C ASN A 52 13.419 7.756 3.479 1.00 0.00 C ATOM 830 O ASN A 52 13.249 8.943 3.348 1.00 0.00 O ATOM 831 CB ASN A 52 11.502 6.193 3.996 1.00 0.00 C ATOM 832 CG ASN A 52 10.543 7.272 4.479 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.652 7.672 3.762 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.694 7.768 5.673 1.00 0.00 N ATOM 0 H ASN A 52 12.803 4.682 2.705 1.00 0.00 H new ATOM 0 HA ASN A 52 11.834 7.313 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.942 5.339 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.108 5.832 4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.061 8.495 6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.445 7.430 6.275 1.00 0.00 H new ATOM 841 N ASP A 53 14.475 7.271 4.105 1.00 0.00 N ATOM 842 CA ASP A 53 15.515 8.193 4.678 1.00 0.00 C ATOM 843 C ASP A 53 16.613 8.493 3.643 1.00 0.00 C ATOM 844 O ASP A 53 17.056 9.622 3.521 1.00 0.00 O ATOM 845 CB ASP A 53 16.102 7.454 5.881 1.00 0.00 C ATOM 846 CG ASP A 53 17.042 8.388 6.656 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.547 9.164 7.458 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.238 8.318 6.427 1.00 0.00 O ATOM 0 H ASP A 53 14.659 6.277 4.242 1.00 0.00 H new ATOM 0 HA ASP A 53 15.083 9.153 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.300 7.107 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.646 6.571 5.547 1.00 0.00 H new ATOM 853 N ALA A 54 17.057 7.489 2.898 1.00 0.00 N ATOM 854 CA ALA A 54 18.128 7.714 1.864 1.00 0.00 C ATOM 855 C ALA A 54 17.625 8.701 0.798 1.00 0.00 C ATOM 856 O ALA A 54 18.277 9.689 0.512 1.00 0.00 O ATOM 857 CB ALA A 54 18.392 6.334 1.252 1.00 0.00 C ATOM 0 H ALA A 54 16.721 6.528 2.966 1.00 0.00 H new ATOM 0 HA ALA A 54 19.036 8.142 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.164 6.417 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.725 5.648 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.475 5.954 0.802 1.00 0.00 H new ATOM 863 N GLN A 55 16.449 8.456 0.253 1.00 0.00 N ATOM 864 CA GLN A 55 15.851 9.399 -0.757 1.00 0.00 C ATOM 865 C GLN A 55 15.416 10.707 -0.064 1.00 0.00 C ATOM 866 O GLN A 55 15.380 11.753 -0.690 1.00 0.00 O ATOM 867 CB GLN A 55 14.638 8.683 -1.360 1.00 0.00 C ATOM 868 CG GLN A 55 15.090 7.418 -2.109 1.00 0.00 C ATOM 869 CD GLN A 55 13.904 6.819 -2.868 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.988 6.587 -4.057 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.796 6.560 -2.230 1.00 0.00 N ATOM 0 H GLN A 55 15.876 7.640 0.466 1.00 0.00 H new ATOM 0 HA GLN A 55 16.572 9.661 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.934 8.416 -0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.114 9.352 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.893 7.662 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.489 6.689 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.725 6.755 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.001 6.163 -2.730 1.00 0.00 H new ATOM 880 N ALA A 56 15.082 10.648 1.225 1.00 0.00 N ATOM 881 CA ALA A 56 14.643 11.881 1.972 1.00 0.00 C ATOM 882 C ALA A 56 15.730 12.958 1.977 1.00 0.00 C ATOM 883 O ALA A 56 16.911 12.657 1.906 1.00 0.00 O ATOM 884 CB ALA A 56 14.387 11.455 3.419 1.00 0.00 C ATOM 0 H ALA A 56 15.098 9.795 1.783 1.00 0.00 H new ATOM 0 HA ALA A 56 13.758 12.298 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.065 12.319 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.609 10.692 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.304 11.050 3.847 1.00 0.00 H new ATOM 890 N PRO A 57 15.281 14.192 2.085 1.00 0.00 N ATOM 891 CA PRO A 57 16.215 15.343 2.123 1.00 0.00 C ATOM 892 C PRO A 57 16.970 15.394 3.466 1.00 0.00 C ATOM 893 O PRO A 57 16.438 15.027 4.503 1.00 0.00 O ATOM 894 CB PRO A 57 15.300 16.552 1.952 1.00 0.00 C ATOM 895 CG PRO A 57 13.967 16.103 2.448 1.00 0.00 C ATOM 896 CD PRO A 57 13.873 14.627 2.177 1.00 0.00 C ATOM 0 HA PRO A 57 16.988 15.292 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.665 17.407 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.248 16.863 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.863 16.307 3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.166 16.640 1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.346 14.107 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.331 14.424 1.253 1.00 0.00 H new ATOM 904 N LYS A 58 18.204 15.850 3.440 1.00 0.00 N ATOM 905 CA LYS A 58 19.028 15.939 4.698 1.00 0.00 C ATOM 906 C LYS A 58 19.679 17.330 4.817 1.00 0.00 C ATOM 907 O LYS A 58 19.526 17.940 5.862 1.00 0.00 O ATOM 908 CB LYS A 58 20.104 14.841 4.577 1.00 0.00 C ATOM 909 CG LYS A 58 19.460 13.450 4.517 1.00 0.00 C ATOM 910 CD LYS A 58 18.876 13.106 5.889 1.00 0.00 C ATOM 911 CE LYS A 58 18.328 11.672 5.881 1.00 0.00 C ATOM 912 NZ LYS A 58 16.899 11.794 5.462 1.00 0.00 N ATOM 913 OXT LYS A 58 20.316 17.763 3.866 1.00 0.00 O ATOM 0 H LYS A 58 18.681 16.167 2.596 1.00 0.00 H new ATOM 0 HA LYS A 58 18.417 15.798 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.702 15.009 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.783 14.896 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.676 13.431 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.201 12.705 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 58 19.644 13.206 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.080 13.807 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.887 11.042 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.410 11.215 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.436 10.866 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.412 12.472 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.853 12.129 4.479 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -7.052 -12.574 -18.117 1.00 0.00 N ATOM 929 CA VAL B 1 -6.912 -12.196 -16.669 1.00 0.00 C ATOM 930 C VAL B 1 -5.825 -11.111 -16.489 1.00 0.00 C ATOM 931 O VAL B 1 -4.903 -11.006 -17.284 1.00 0.00 O ATOM 932 CB VAL B 1 -6.543 -13.506 -15.924 1.00 0.00 C ATOM 933 CG1 VAL B 1 -5.079 -13.902 -16.180 1.00 0.00 C ATOM 934 CG2 VAL B 1 -6.755 -13.316 -14.417 1.00 0.00 C ATOM 0 H1 VAL B 1 -8.001 -12.315 -18.453 1.00 0.00 H new ATOM 0 H2 VAL B 1 -6.336 -12.070 -18.678 1.00 0.00 H new ATOM 0 H3 VAL B 1 -6.915 -13.600 -18.223 1.00 0.00 H new ATOM 0 HA VAL B 1 -7.832 -11.768 -16.271 1.00 0.00 H new ATOM 0 HB VAL B 1 -7.187 -14.301 -16.300 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -4.852 -14.824 -15.644 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -4.925 -14.056 -17.248 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -4.420 -13.107 -15.830 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -6.496 -14.237 -13.894 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -6.121 -12.505 -14.060 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -7.800 -13.071 -14.225 1.00 0.00 H new ATOM 946 N ASP B 2 -5.932 -10.317 -15.441 1.00 0.00 N ATOM 947 CA ASP B 2 -4.913 -9.247 -15.190 1.00 0.00 C ATOM 948 C ASP B 2 -3.686 -9.838 -14.481 1.00 0.00 C ATOM 949 O ASP B 2 -3.786 -10.369 -13.389 1.00 0.00 O ATOM 950 CB ASP B 2 -5.608 -8.205 -14.294 1.00 0.00 C ATOM 951 CG ASP B 2 -4.659 -7.029 -14.024 1.00 0.00 C ATOM 952 OD1 ASP B 2 -4.607 -6.132 -14.852 1.00 0.00 O ATOM 953 OD2 ASP B 2 -3.995 -7.048 -13.000 1.00 0.00 O ATOM 0 H ASP B 2 -6.682 -10.367 -14.752 1.00 0.00 H new ATOM 0 HA ASP B 2 -4.561 -8.799 -16.119 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -6.517 -7.846 -14.777 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -5.908 -8.665 -13.352 1.00 0.00 H new ATOM 958 N ASN B 3 -2.531 -9.736 -15.100 1.00 0.00 N ATOM 959 CA ASN B 3 -1.274 -10.270 -14.476 1.00 0.00 C ATOM 960 C ASN B 3 -0.350 -9.099 -14.091 1.00 0.00 C ATOM 961 O ASN B 3 0.849 -9.131 -14.314 1.00 0.00 O ATOM 962 CB ASN B 3 -0.637 -11.169 -15.551 1.00 0.00 C ATOM 963 CG ASN B 3 -1.549 -12.371 -15.838 1.00 0.00 C ATOM 964 OD1 ASN B 3 -2.133 -12.463 -16.898 1.00 0.00 O ATOM 965 ND2 ASN B 3 -1.698 -13.304 -14.932 1.00 0.00 N ATOM 0 H ASN B 3 -2.404 -9.304 -16.015 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.461 -10.833 -13.561 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.475 -10.598 -16.465 1.00 0.00 H new ATOM 0 HB3 ASN B 3 0.340 -11.516 -15.215 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -2.303 -14.104 -15.118 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -1.209 -13.231 -14.040 1.00 0.00 H new ATOM 972 N LYS B 4 -0.925 -8.058 -13.514 1.00 0.00 N ATOM 973 CA LYS B 4 -0.126 -6.853 -13.099 1.00 0.00 C ATOM 974 C LYS B 4 -0.875 -6.051 -12.008 1.00 0.00 C ATOM 975 O LYS B 4 -0.904 -4.829 -12.033 1.00 0.00 O ATOM 976 CB LYS B 4 0.055 -6.026 -14.392 1.00 0.00 C ATOM 977 CG LYS B 4 -1.312 -5.589 -14.958 1.00 0.00 C ATOM 978 CD LYS B 4 -1.224 -5.453 -16.482 1.00 0.00 C ATOM 979 CE LYS B 4 -1.414 -6.829 -17.142 1.00 0.00 C ATOM 980 NZ LYS B 4 -2.889 -6.987 -17.338 1.00 0.00 N ATOM 0 H LYS B 4 -1.923 -7.995 -13.313 1.00 0.00 H new ATOM 0 HA LYS B 4 0.836 -7.123 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.666 -5.147 -14.185 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.589 -6.617 -15.136 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -2.076 -6.320 -14.693 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -1.612 -4.639 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -1.986 -4.760 -16.839 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.257 -5.035 -16.763 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -0.885 -6.883 -18.094 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -1.016 -7.624 -16.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -3.109 -7.986 -17.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -3.388 -6.677 -16.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -3.196 -6.408 -18.146 1.00 0.00 H new ATOM 994 N PHE B 5 -1.467 -6.736 -11.042 1.00 0.00 N ATOM 995 CA PHE B 5 -2.205 -6.038 -9.934 1.00 0.00 C ATOM 996 C PHE B 5 -1.274 -5.135 -9.112 1.00 0.00 C ATOM 997 O PHE B 5 -1.709 -4.141 -8.560 1.00 0.00 O ATOM 998 CB PHE B 5 -2.786 -7.155 -9.060 1.00 0.00 C ATOM 999 CG PHE B 5 -4.039 -7.717 -9.701 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.185 -6.920 -9.820 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.054 -9.035 -10.173 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.341 -7.439 -10.409 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.212 -9.554 -10.763 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.355 -8.755 -10.879 1.00 0.00 C ATOM 0 H PHE B 5 -1.467 -7.754 -10.978 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.981 -5.384 -10.332 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.048 -7.947 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.018 -6.768 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.175 -5.903 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -3.172 -9.651 -10.082 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.223 -6.823 -10.501 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -5.224 -10.570 -11.128 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.249 -9.156 -11.332 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.001 -5.475 -9.043 1.00 0.00 N ATOM 1015 CA ASN B 6 0.998 -4.640 -8.274 1.00 0.00 C ATOM 1016 C ASN B 6 0.991 -3.181 -8.761 1.00 0.00 C ATOM 1017 O ASN B 6 1.099 -2.259 -7.968 1.00 0.00 O ATOM 1018 CB ASN B 6 2.385 -5.288 -8.504 1.00 0.00 C ATOM 1019 CG ASN B 6 2.648 -5.527 -10.008 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.376 -6.595 -10.519 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.162 -4.573 -10.743 1.00 0.00 N ATOM 0 H ASN B 6 0.394 -6.302 -9.490 1.00 0.00 H new ATOM 0 HA ASN B 6 0.747 -4.616 -7.214 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.163 -4.644 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.440 -6.235 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.331 -4.730 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.393 -3.673 -10.322 1.00 0.00 H new ATOM 1028 N LYS B 7 0.833 -2.975 -10.051 1.00 0.00 N ATOM 1029 CA LYS B 7 0.779 -1.584 -10.616 1.00 0.00 C ATOM 1030 C LYS B 7 -0.441 -0.852 -10.072 1.00 0.00 C ATOM 1031 O LYS B 7 -0.372 0.322 -9.748 1.00 0.00 O ATOM 1032 CB LYS B 7 0.684 -1.747 -12.140 1.00 0.00 C ATOM 1033 CG LYS B 7 0.782 -0.374 -12.828 1.00 0.00 C ATOM 1034 CD LYS B 7 2.228 0.149 -12.768 1.00 0.00 C ATOM 1035 CE LYS B 7 2.354 1.232 -11.680 1.00 0.00 C ATOM 1036 NZ LYS B 7 1.835 2.496 -12.290 1.00 0.00 N ATOM 0 H LYS B 7 0.738 -3.719 -10.743 1.00 0.00 H new ATOM 0 HA LYS B 7 1.656 -0.999 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.484 -2.397 -12.494 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.258 -2.228 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.460 -0.456 -13.866 1.00 0.00 H new ATOM 0 HG3 LYS B 7 0.111 0.334 -12.341 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.912 -0.673 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.515 0.560 -13.736 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.780 0.963 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.391 1.349 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.896 3.267 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.404 2.737 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.843 2.363 -12.573 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.547 -1.548 -9.950 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.772 -0.908 -9.399 1.00 0.00 C ATOM 1052 C GLU B 8 -2.587 -0.574 -7.934 1.00 0.00 C ATOM 1053 O GLU B 8 -3.074 0.425 -7.488 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.937 -1.879 -9.590 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.867 -1.324 -10.671 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.479 0.021 -10.228 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.469 -0.004 -9.511 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.954 1.052 -10.619 1.00 0.00 O ATOM 0 H GLU B 8 -1.649 -2.529 -10.209 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.975 0.027 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.566 -2.862 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.480 -2.006 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.313 -1.188 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.662 -2.041 -10.876 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.854 -1.365 -7.189 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.630 -1.008 -5.746 1.00 0.00 C ATOM 1067 C LEU B 9 -0.799 0.274 -5.662 1.00 0.00 C ATOM 1068 O LEU B 9 -0.904 1.016 -4.707 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.877 -2.137 -5.049 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.510 -3.514 -5.302 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.571 -4.602 -4.736 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.879 -3.568 -4.590 1.00 0.00 C ATOM 0 H LEU B 9 -1.408 -2.226 -7.505 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.594 -0.856 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.157 -2.147 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.852 -1.944 -3.976 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.653 -3.683 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.008 -5.586 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.397 -4.542 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.438 -4.447 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.340 -4.541 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.739 -3.416 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.526 -2.785 -4.986 1.00 0.00 H new ATOM 1084 N SER B 10 0.007 0.553 -6.671 1.00 0.00 N ATOM 1085 CA SER B 10 0.811 1.807 -6.661 1.00 0.00 C ATOM 1086 C SER B 10 -0.161 3.011 -6.733 1.00 0.00 C ATOM 1087 O SER B 10 -0.084 3.934 -5.946 1.00 0.00 O ATOM 1088 CB SER B 10 1.726 1.709 -7.905 1.00 0.00 C ATOM 1089 OG SER B 10 1.363 2.670 -8.892 1.00 0.00 O ATOM 0 H SER B 10 0.135 -0.037 -7.493 1.00 0.00 H new ATOM 0 HA SER B 10 1.414 1.941 -5.763 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.764 1.863 -7.609 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.661 0.707 -8.329 1.00 0.00 H new ATOM 0 HG SER B 10 2.154 2.915 -9.416 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.083 2.964 -7.680 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.089 4.066 -7.872 1.00 0.00 C ATOM 1097 C VAL B 11 -3.270 3.895 -6.894 1.00 0.00 C ATOM 1098 O VAL B 11 -3.557 4.773 -6.104 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.559 3.919 -9.342 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.400 5.132 -9.746 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.343 3.810 -10.283 1.00 0.00 C ATOM 0 H VAL B 11 -1.179 2.191 -8.339 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.669 5.052 -7.676 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.160 3.014 -9.424 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.726 5.021 -10.780 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.272 5.203 -9.096 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.802 6.038 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.687 3.707 -11.312 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.732 4.708 -10.193 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.749 2.938 -10.010 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.935 2.756 -6.945 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.095 2.466 -6.032 1.00 0.00 C ATOM 1113 C ALA B 12 -4.666 2.498 -4.567 1.00 0.00 C ATOM 1114 O ALA B 12 -5.316 3.100 -3.743 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.576 1.042 -6.405 1.00 0.00 C ATOM 0 H ALA B 12 -3.716 2.001 -7.595 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.880 3.213 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.422 0.767 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.881 1.023 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.764 0.332 -6.251 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.573 1.855 -4.258 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.064 1.798 -2.860 1.00 0.00 C ATOM 1123 C GLY B 13 -2.641 3.165 -2.361 1.00 0.00 C ATOM 1124 O GLY B 13 -3.133 3.625 -1.349 1.00 0.00 O ATOM 0 H GLY B 13 -2.998 1.354 -4.935 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.839 1.396 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.217 1.114 -2.809 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.708 3.793 -3.037 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.204 5.123 -2.562 1.00 0.00 C ATOM 1130 C ARG B 14 -2.329 6.170 -2.460 1.00 0.00 C ATOM 1131 O ARG B 14 -2.328 6.958 -1.543 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.151 5.561 -3.567 1.00 0.00 C ATOM 1133 CG ARG B 14 0.758 6.619 -2.930 1.00 0.00 C ATOM 1134 CD ARG B 14 1.652 5.979 -1.865 1.00 0.00 C ATOM 1135 NE ARG B 14 3.050 6.394 -2.208 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.819 6.961 -1.308 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.774 6.269 -0.734 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.632 8.218 -0.986 1.00 0.00 N ATOM 0 H ARG B 14 -1.275 3.445 -3.893 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.792 5.034 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.441 4.703 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.630 5.967 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.374 7.089 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.152 7.406 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.376 6.319 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.553 4.894 -1.871 1.00 0.00 H new ATOM 0 HE ARG B 14 3.408 6.234 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.918 5.292 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.372 6.708 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.889 8.754 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.229 8.660 -0.287 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.293 6.179 -3.366 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.412 7.184 -3.248 1.00 0.00 C ATOM 1154 C GLU B 15 -5.254 6.866 -1.996 1.00 0.00 C ATOM 1155 O GLU B 15 -5.597 7.757 -1.244 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.231 7.071 -4.529 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.471 7.735 -5.683 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.334 7.735 -6.947 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.260 8.531 -7.014 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.051 6.947 -7.830 1.00 0.00 O ATOM 0 H GLU B 15 -3.353 5.548 -4.165 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.044 8.204 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.421 6.023 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.201 7.549 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.206 8.757 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.539 7.202 -5.869 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.507 5.586 -1.734 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.240 5.161 -0.478 1.00 0.00 C ATOM 1169 C ILE B 16 -5.372 5.555 0.754 1.00 0.00 C ATOM 1170 O ILE B 16 -5.883 5.870 1.814 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.425 3.622 -0.621 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.432 3.344 -1.752 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.962 3.006 0.676 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.325 1.899 -2.246 1.00 0.00 C ATOM 0 H ILE B 16 -5.233 4.815 -2.343 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.210 5.640 -0.341 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.455 3.177 -0.844 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.444 3.535 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.251 4.029 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.081 1.930 0.546 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.260 3.198 1.488 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.927 3.451 0.918 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.048 1.733 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.319 1.717 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.531 1.216 -1.422 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.058 5.573 0.578 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.092 5.984 1.660 1.00 0.00 C ATOM 1188 C VAL B 17 -3.066 7.523 1.825 1.00 0.00 C ATOM 1189 O VAL B 17 -2.914 8.030 2.924 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.700 5.521 1.140 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.554 6.158 1.932 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.566 4.009 1.214 1.00 0.00 C ATOM 0 H VAL B 17 -3.607 5.311 -0.299 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.367 5.552 2.622 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.633 5.846 0.102 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.400 5.808 1.537 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.608 7.243 1.842 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.637 5.877 2.982 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.584 3.712 0.845 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.678 3.684 2.248 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.339 3.545 0.602 1.00 0.00 H new ATOM 1202 N THR B 18 -3.119 8.248 0.720 1.00 0.00 N ATOM 1203 CA THR B 18 -2.987 9.746 0.756 1.00 0.00 C ATOM 1204 C THR B 18 -4.284 10.516 1.022 1.00 0.00 C ATOM 1205 O THR B 18 -4.189 11.684 1.376 1.00 0.00 O ATOM 1206 CB THR B 18 -2.418 10.157 -0.615 1.00 0.00 C ATOM 1207 OG1 THR B 18 -3.280 9.716 -1.656 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.024 9.554 -0.809 1.00 0.00 C ATOM 0 H THR B 18 -3.250 7.857 -0.213 1.00 0.00 H new ATOM 0 HA THR B 18 -2.344 10.003 1.598 1.00 0.00 H new ATOM 0 HB THR B 18 -2.345 11.244 -0.650 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.910 9.984 -2.523 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.631 9.851 -1.781 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.359 9.914 -0.024 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.088 8.467 -0.760 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.481 9.954 0.865 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.679 10.819 1.144 1.00 0.00 C ATOM 1218 C LEU B 19 -6.724 11.170 2.659 1.00 0.00 C ATOM 1219 O LEU B 19 -6.527 10.312 3.507 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.911 10.083 0.628 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.203 8.843 1.445 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.606 8.993 1.985 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.114 7.608 0.553 1.00 0.00 C ATOM 0 H LEU B 19 -5.666 8.994 0.574 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.633 11.777 0.626 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.773 10.750 0.658 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.759 9.805 -0.415 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.486 8.727 2.257 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.861 8.118 2.583 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.663 9.887 2.606 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.307 9.082 1.156 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.325 6.717 1.144 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.842 7.689 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.112 7.535 0.131 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.886 12.455 2.933 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.843 12.984 4.329 1.00 0.00 C ATOM 1237 C PRO B 20 -8.196 12.943 5.060 1.00 0.00 C ATOM 1238 O PRO B 20 -8.226 12.915 6.279 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.419 14.436 4.121 1.00 0.00 C ATOM 1240 CG PRO B 20 -6.862 14.803 2.731 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.138 13.528 1.970 1.00 0.00 C ATOM 0 HA PRO B 20 -6.181 12.385 4.955 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -6.881 15.087 4.863 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.340 14.546 4.228 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -7.757 15.424 2.769 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -6.091 15.386 2.228 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.165 13.499 1.606 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.488 13.439 1.099 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.307 12.967 4.346 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.650 12.956 5.028 1.00 0.00 C ATOM 1251 C ASN B 21 -10.860 11.669 5.837 1.00 0.00 C ATOM 1252 O ASN B 21 -11.516 11.692 6.865 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.682 13.065 3.908 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.906 14.529 3.498 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.043 15.372 3.666 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.041 14.864 2.955 1.00 0.00 N ATOM 0 H ASN B 21 -9.341 12.994 3.327 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.735 13.777 5.740 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.347 12.490 3.045 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.625 12.628 4.236 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.205 15.830 2.672 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.766 14.160 2.813 1.00 0.00 H new ATOM 1263 N LEU B 22 -10.305 10.555 5.392 1.00 0.00 N ATOM 1264 CA LEU B 22 -10.469 9.283 6.158 1.00 0.00 C ATOM 1265 C LEU B 22 -9.313 9.105 7.153 1.00 0.00 C ATOM 1266 O LEU B 22 -8.255 9.700 7.015 1.00 0.00 O ATOM 1267 CB LEU B 22 -10.608 8.163 5.102 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.541 7.060 5.203 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.138 5.763 4.652 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.310 7.430 4.367 1.00 0.00 C ATOM 0 H LEU B 22 -9.752 10.480 4.538 1.00 0.00 H new ATOM 0 HA LEU B 22 -11.358 9.270 6.789 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -11.594 7.708 5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -10.560 8.609 4.108 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.240 6.941 6.244 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.397 4.966 4.714 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.016 5.489 5.237 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.427 5.909 3.611 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -7.564 6.640 4.449 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.601 7.548 3.323 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.889 8.366 4.734 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.543 8.317 8.174 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.491 8.116 9.242 1.00 0.00 C ATOM 1284 C ASN B 23 -7.528 6.956 8.920 1.00 0.00 C ATOM 1285 O ASN B 23 -7.785 6.142 8.047 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.256 7.891 10.569 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.229 6.702 10.483 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.970 5.727 9.814 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.353 6.744 11.149 1.00 0.00 N ATOM 0 H ASN B 23 -10.410 7.801 8.322 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.845 8.991 9.308 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.542 7.716 11.373 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.810 8.794 10.825 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -12.003 5.959 11.102 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.580 7.561 11.715 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.401 6.911 9.621 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.362 5.850 9.383 1.00 0.00 C ATOM 1298 C ASP B 24 -5.874 4.389 9.542 1.00 0.00 C ATOM 1299 O ASP B 24 -5.431 3.552 8.780 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.170 6.160 10.325 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.550 6.023 11.804 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.057 6.984 12.358 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.313 4.960 12.360 1.00 0.00 O ATOM 0 H ASP B 24 -6.161 7.577 10.356 1.00 0.00 H new ATOM 0 HA ASP B 24 -5.059 5.890 8.337 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.345 5.484 10.099 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.813 7.172 10.136 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.778 4.089 10.488 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.266 2.682 10.615 1.00 0.00 C ATOM 1310 C PRO B 25 -8.083 2.266 9.373 1.00 0.00 C ATOM 1311 O PRO B 25 -7.985 1.132 8.932 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.117 2.693 11.885 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.540 4.113 12.046 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.424 4.960 11.496 1.00 0.00 C ATOM 0 HA PRO B 25 -6.455 1.957 10.678 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.978 2.032 11.790 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.545 2.350 12.747 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.470 4.303 11.511 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.722 4.346 13.095 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.803 5.878 11.046 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.723 5.254 12.278 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.868 3.171 8.790 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.656 2.809 7.567 1.00 0.00 C ATOM 1324 C GLN B 26 -8.713 2.546 6.385 1.00 0.00 C ATOM 1325 O GLN B 26 -8.790 1.492 5.790 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.589 3.995 7.303 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.729 3.958 8.325 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.565 5.238 8.251 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.330 6.108 7.432 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.535 5.395 9.103 1.00 0.00 N ATOM 0 H GLN B 26 -8.988 4.131 9.114 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.232 1.894 7.704 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.040 4.933 7.383 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.988 3.944 6.290 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.364 3.092 8.138 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.320 3.842 9.329 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.733 4.667 9.790 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.097 6.246 9.084 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.797 3.463 6.068 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.821 3.203 4.936 1.00 0.00 C ATOM 1341 C LYS B 27 -6.010 1.936 5.212 1.00 0.00 C ATOM 1342 O LYS B 27 -5.707 1.194 4.301 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.858 4.401 4.794 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.363 4.959 6.140 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.618 6.282 5.905 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.602 7.466 5.962 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.964 8.487 6.847 1.00 0.00 N ATOM 0 H LYS B 27 -7.688 4.362 6.537 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.386 3.071 4.013 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.997 4.096 4.199 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.360 5.196 4.244 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.207 5.119 6.811 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.703 4.239 6.623 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.841 6.409 6.659 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.120 6.260 4.935 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.784 7.871 4.966 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.567 7.153 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.586 9.317 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.810 8.080 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.051 8.776 6.442 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.668 1.686 6.462 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.891 0.448 6.818 1.00 0.00 C ATOM 1363 C LYS B 28 -5.668 -0.792 6.352 1.00 0.00 C ATOM 1364 O LYS B 28 -5.212 -1.512 5.492 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.770 0.455 8.355 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.329 0.728 8.766 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.590 -0.607 8.931 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.108 -0.433 8.578 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.368 -1.431 9.408 1.00 0.00 N ATOM 0 H LYS B 28 -5.895 2.290 7.252 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.910 0.427 6.343 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.427 1.217 8.776 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.096 -0.504 8.757 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.833 1.341 8.013 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.305 1.289 9.700 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.689 -0.962 9.957 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.039 -1.363 8.287 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.937 -0.606 7.515 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.772 0.581 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.654 -1.249 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.670 -1.349 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.572 -2.390 9.062 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.861 -1.014 6.884 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.695 -2.190 6.437 1.00 0.00 C ATOM 1385 C ALA B 29 -7.978 -2.088 4.922 1.00 0.00 C ATOM 1386 O ALA B 29 -8.096 -3.091 4.241 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.003 -2.093 7.233 1.00 0.00 C ATOM 0 H ALA B 29 -7.289 -0.433 7.605 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.190 -3.140 6.610 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.659 -2.919 6.958 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.784 -2.143 8.300 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.497 -1.148 7.008 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.062 -0.874 4.404 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.312 -0.653 2.940 1.00 0.00 C ATOM 1395 C PHE B 30 -7.153 -1.189 2.106 1.00 0.00 C ATOM 1396 O PHE B 30 -7.346 -1.978 1.206 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.392 0.871 2.778 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.723 1.254 2.228 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.966 1.090 0.872 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.711 1.768 3.071 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.205 1.437 0.348 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.953 2.117 2.546 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.201 1.953 1.186 1.00 0.00 C ATOM 0 H PHE B 30 -7.965 -0.016 4.948 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.215 -1.164 2.607 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.233 1.357 3.741 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.601 1.217 2.113 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.196 0.694 0.227 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.513 1.894 4.125 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.400 1.309 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.722 2.514 3.192 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.163 2.224 0.777 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.947 -0.771 2.413 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.755 -1.268 1.664 1.00 0.00 C ATOM 1415 C ILE B 31 -4.611 -2.770 1.909 1.00 0.00 C ATOM 1416 O ILE B 31 -4.286 -3.512 1.012 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.561 -0.506 2.256 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.472 0.882 1.589 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.245 -1.296 2.055 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.024 1.306 1.441 1.00 0.00 C ATOM 0 H ILE B 31 -5.739 -0.103 3.155 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.831 -1.111 0.588 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.708 -0.385 3.329 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.951 0.853 0.610 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.013 1.615 2.187 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.415 -0.735 2.483 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.322 -2.264 2.550 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.070 -1.447 0.990 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -1.979 2.287 0.969 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.557 1.355 2.425 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.494 0.581 0.823 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.843 -3.207 3.130 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.724 -4.658 3.451 1.00 0.00 C ATOM 1434 C PHE B 32 -5.760 -5.452 2.613 1.00 0.00 C ATOM 1435 O PHE B 32 -5.443 -6.519 2.112 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.922 -4.764 4.981 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.619 -4.395 5.710 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.938 -3.155 5.461 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.059 -5.303 6.650 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.759 -2.874 6.122 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.872 -4.981 7.296 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.230 -3.782 7.030 1.00 0.00 C ATOM 0 H PHE B 32 -5.110 -2.613 3.915 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.758 -5.091 3.193 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.726 -4.100 5.298 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.222 -5.777 5.247 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.347 -2.444 4.758 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.554 -6.239 6.861 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.245 -1.943 5.932 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.447 -5.670 8.011 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.305 -3.550 7.536 1.00 0.00 H new ATOM 1452 N SER B 33 -6.961 -4.906 2.371 1.00 0.00 N ATOM 1453 CA SER B 33 -7.940 -5.628 1.471 1.00 0.00 C ATOM 1454 C SER B 33 -7.498 -5.432 -0.004 1.00 0.00 C ATOM 1455 O SER B 33 -7.609 -6.336 -0.808 1.00 0.00 O ATOM 1456 CB SER B 33 -9.329 -5.026 1.748 1.00 0.00 C ATOM 1457 OG SER B 33 -9.379 -3.671 1.335 1.00 0.00 O ATOM 0 H SER B 33 -7.288 -4.018 2.751 1.00 0.00 H new ATOM 0 HA SER B 33 -7.971 -6.701 1.660 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.091 -5.600 1.221 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.556 -5.096 2.812 1.00 0.00 H new ATOM 0 HG SER B 33 -8.518 -3.241 1.520 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.935 -4.269 -0.329 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.393 -3.996 -1.718 1.00 0.00 C ATOM 1465 C LEU B 34 -5.229 -4.967 -1.998 1.00 0.00 C ATOM 1466 O LEU B 34 -5.068 -5.449 -3.105 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.915 -2.518 -1.659 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.041 -2.127 -2.852 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.916 -1.767 -4.064 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.192 -0.909 -2.471 1.00 0.00 C ATOM 0 H LEU B 34 -6.829 -3.490 0.321 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.121 -4.141 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.784 -1.862 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.355 -2.359 -0.737 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.402 -2.970 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.278 -1.491 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.527 -2.626 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.563 -0.928 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.566 -0.623 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.846 -0.078 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.560 -1.158 -1.619 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.435 -5.258 -0.983 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.290 -6.198 -1.132 1.00 0.00 C ATOM 1484 C TRP B 35 -3.780 -7.637 -1.411 1.00 0.00 C ATOM 1485 O TRP B 35 -3.303 -8.287 -2.322 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.557 -6.167 0.209 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.344 -6.998 0.058 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -1.132 -8.186 0.651 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.192 -6.748 -0.785 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.081 -8.672 0.237 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.708 -7.813 -0.638 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.154 -5.698 -1.644 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.915 -7.837 -1.316 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.368 -5.720 -2.330 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.243 -6.782 -2.163 1.00 0.00 C ATOM 0 H TRP B 35 -4.544 -4.871 -0.046 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.654 -5.905 -1.967 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.293 -5.145 0.481 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.193 -6.554 1.005 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.805 -8.676 1.339 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.473 -9.564 0.541 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.523 -4.867 -1.776 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.595 -8.666 -1.189 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.627 -4.908 -2.993 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.184 -6.791 -2.693 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.715 -8.128 -0.614 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.236 -9.524 -0.804 1.00 0.00 C ATOM 1508 C ASP B 36 -6.127 -9.607 -2.039 1.00 0.00 C ATOM 1509 O ASP B 36 -6.103 -10.596 -2.751 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.058 -9.855 0.456 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.164 -9.922 1.709 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.066 -10.457 1.623 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.604 -9.442 2.740 1.00 0.00 O ATOM 0 H ASP B 36 -5.137 -7.616 0.161 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.415 -10.227 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.830 -9.098 0.598 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.568 -10.809 0.320 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.926 -8.586 -2.286 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.833 -8.618 -3.456 1.00 0.00 C ATOM 1520 C ASP B 37 -7.709 -7.341 -4.307 1.00 0.00 C ATOM 1521 O ASP B 37 -8.624 -6.528 -4.337 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.247 -8.768 -2.865 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.425 -10.175 -2.283 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.724 -11.079 -3.048 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.260 -10.325 -1.083 1.00 0.00 O ATOM 0 H ASP B 37 -6.979 -7.739 -1.720 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.588 -9.438 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.406 -8.021 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.994 -8.588 -3.638 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.596 -7.217 -5.027 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.409 -6.053 -5.939 1.00 0.00 C ATOM 1532 C PRO B 38 -7.381 -6.120 -7.140 1.00 0.00 C ATOM 1533 O PRO B 38 -7.439 -5.193 -7.920 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.969 -6.166 -6.397 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.643 -7.616 -6.249 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.423 -8.108 -5.060 1.00 0.00 C ATOM 0 HA PRO B 38 -6.616 -5.103 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.854 -5.837 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.309 -5.547 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.915 -8.169 -7.148 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.573 -7.760 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.715 -9.152 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.841 -8.039 -4.141 1.00 0.00 H new ATOM 1544 N SER B 39 -8.181 -7.179 -7.274 1.00 0.00 N ATOM 1545 CA SER B 39 -9.189 -7.232 -8.391 1.00 0.00 C ATOM 1546 C SER B 39 -10.142 -6.037 -8.212 1.00 0.00 C ATOM 1547 O SER B 39 -10.554 -5.404 -9.166 1.00 0.00 O ATOM 1548 CB SER B 39 -9.947 -8.554 -8.207 1.00 0.00 C ATOM 1549 OG SER B 39 -10.227 -9.114 -9.484 1.00 0.00 O ATOM 0 H SER B 39 -8.172 -7.994 -6.661 1.00 0.00 H new ATOM 0 HA SER B 39 -8.739 -7.182 -9.383 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.352 -9.249 -7.614 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.874 -8.382 -7.661 1.00 0.00 H new ATOM 0 HG SER B 39 -10.710 -9.960 -9.372 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.434 -5.709 -6.961 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.301 -4.528 -6.635 1.00 0.00 C ATOM 1557 C GLN B 40 -10.415 -3.288 -6.364 1.00 0.00 C ATOM 1558 O GLN B 40 -10.859 -2.370 -5.720 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.054 -4.870 -5.330 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.460 -6.345 -5.261 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.763 -6.496 -4.465 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.688 -7.139 -4.916 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.875 -5.929 -3.292 1.00 0.00 N ATOM 0 H GLN B 40 -10.099 -6.223 -6.146 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.982 -4.315 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.422 -4.629 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.945 -4.247 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.592 -6.742 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.668 -6.927 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.099 -5.388 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.739 -6.028 -2.758 1.00 0.00 H new ATOM 1572 N SER B 41 -9.162 -3.268 -6.813 1.00 0.00 N ATOM 1573 CA SER B 41 -8.257 -2.093 -6.529 1.00 0.00 C ATOM 1574 C SER B 41 -8.846 -0.773 -7.048 1.00 0.00 C ATOM 1575 O SER B 41 -8.813 0.226 -6.353 1.00 0.00 O ATOM 1576 CB SER B 41 -6.935 -2.397 -7.219 1.00 0.00 C ATOM 1577 OG SER B 41 -7.141 -2.608 -8.614 1.00 0.00 O ATOM 0 H SER B 41 -8.735 -4.015 -7.361 1.00 0.00 H new ATOM 0 HA SER B 41 -8.132 -1.963 -5.454 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.240 -1.571 -7.068 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.480 -3.282 -6.774 1.00 0.00 H new ATOM 0 HG SER B 41 -7.318 -3.558 -8.779 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.419 -0.772 -8.244 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.052 0.482 -8.777 1.00 0.00 C ATOM 1585 C ALA B 42 -11.233 0.849 -7.863 1.00 0.00 C ATOM 1586 O ALA B 42 -11.395 1.991 -7.471 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.537 0.142 -10.191 1.00 0.00 C ATOM 0 H ALA B 42 -9.472 -1.581 -8.863 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.366 1.328 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.009 1.019 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.688 -0.162 -10.804 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.259 -0.673 -10.142 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.025 -0.147 -7.485 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.165 0.080 -6.552 1.00 0.00 C ATOM 1595 C ASN B 43 -12.647 0.480 -5.156 1.00 0.00 C ATOM 1596 O ASN B 43 -13.279 1.257 -4.482 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.918 -1.258 -6.484 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.235 -1.070 -5.721 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.207 -0.593 -6.271 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.301 -1.413 -4.463 1.00 0.00 N ATOM 0 H ASN B 43 -11.917 -1.113 -7.795 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.811 0.888 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.119 -1.625 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.303 -2.008 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.168 -1.280 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.485 -1.814 -4.000 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.498 -0.043 -4.731 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.930 0.307 -3.383 1.00 0.00 C ATOM 1609 C LEU B 44 -10.525 1.773 -3.364 1.00 0.00 C ATOM 1610 O LEU B 44 -10.885 2.512 -2.477 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.706 -0.600 -3.223 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.092 -1.814 -2.385 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.395 -3.069 -2.930 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.676 -1.540 -0.936 1.00 0.00 C ATOM 0 H LEU B 44 -10.934 -0.700 -5.271 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.645 0.163 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.343 -0.918 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.894 -0.054 -2.743 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.167 -1.987 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.676 -3.932 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.700 -3.235 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.314 -2.932 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.941 -2.395 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.599 -1.379 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.192 -0.652 -0.571 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.814 2.179 -4.374 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.391 3.606 -4.518 1.00 0.00 C ATOM 1628 C LEU B 45 -10.636 4.507 -4.461 1.00 0.00 C ATOM 1629 O LEU B 45 -10.672 5.486 -3.731 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.718 3.666 -5.903 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.505 5.116 -6.347 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.909 5.929 -5.201 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.552 5.137 -7.543 1.00 0.00 C ATOM 0 H LEU B 45 -9.498 1.569 -5.128 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.717 3.945 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.760 3.148 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.336 3.145 -6.634 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.462 5.554 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.760 6.959 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.589 5.911 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.951 5.499 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.395 6.166 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.597 4.697 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.984 4.562 -8.362 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.663 4.145 -5.199 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.937 4.927 -5.182 1.00 0.00 C ATOM 1647 C ALA B 46 -13.577 4.826 -3.791 1.00 0.00 C ATOM 1648 O ALA B 46 -14.010 5.813 -3.235 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.815 4.246 -6.225 1.00 0.00 C ATOM 0 H ALA B 46 -11.669 3.333 -5.817 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.793 5.986 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.776 4.757 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.324 4.289 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.973 3.205 -5.944 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.599 3.628 -3.226 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.167 3.408 -1.857 1.00 0.00 C ATOM 1657 C GLU B 47 -13.391 4.247 -0.825 1.00 0.00 C ATOM 1658 O GLU B 47 -13.958 4.726 0.136 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.987 1.906 -1.580 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.048 1.435 -0.574 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.424 1.406 -1.256 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.650 0.516 -2.062 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.223 2.283 -0.970 1.00 0.00 O ATOM 0 H GLU B 47 -13.239 2.784 -3.671 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.213 3.706 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.076 1.342 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.989 1.716 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.795 0.443 -0.200 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.071 2.104 0.286 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.101 4.439 -1.045 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.260 5.273 -0.119 1.00 0.00 C ATOM 1672 C ALA B 48 -11.772 6.716 -0.164 1.00 0.00 C ATOM 1673 O ALA B 48 -11.980 7.337 0.862 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.823 5.180 -0.670 1.00 0.00 C ATOM 0 H ALA B 48 -11.593 4.046 -1.838 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.300 4.935 0.917 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.154 5.767 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.500 4.139 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.798 5.568 -1.688 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.020 7.227 -1.360 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.572 8.616 -1.512 1.00 0.00 C ATOM 1682 C LYS B 49 -14.000 8.660 -0.931 1.00 0.00 C ATOM 1683 O LYS B 49 -14.359 9.580 -0.223 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.598 8.894 -3.027 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.176 8.824 -3.606 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.202 9.186 -5.097 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.992 8.559 -5.816 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.788 9.323 -5.356 1.00 0.00 N ATOM 0 H LYS B 49 -11.861 6.734 -2.239 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.974 9.360 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.238 8.166 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.027 9.878 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.521 9.509 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.769 7.822 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.128 8.830 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.184 10.269 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.899 7.501 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -10.105 8.626 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.966 9.056 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.965 10.343 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.596 9.101 -4.358 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.800 7.644 -1.223 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.212 7.566 -0.695 1.00 0.00 C ATOM 1704 C LYS B 50 -16.211 7.504 0.843 1.00 0.00 C ATOM 1705 O LYS B 50 -16.992 8.183 1.488 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.785 6.264 -1.277 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.965 6.397 -2.793 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.241 5.011 -3.385 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.310 5.097 -4.914 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.141 3.690 -5.393 1.00 0.00 N ATOM 0 H LYS B 50 -14.528 6.857 -1.812 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.800 8.439 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.117 5.432 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.743 6.038 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.790 7.073 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.070 6.827 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.456 4.316 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.179 4.619 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.262 5.513 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.526 5.744 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.178 3.670 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.223 3.322 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.905 3.098 -5.009 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.328 6.708 1.428 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.253 6.615 2.926 1.00 0.00 C ATOM 1726 C LEU B 51 -14.802 7.964 3.504 1.00 0.00 C ATOM 1727 O LEU B 51 -15.349 8.427 4.493 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.235 5.499 3.236 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.000 5.384 4.759 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.336 5.405 5.525 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.281 4.067 5.056 1.00 0.00 C ATOM 0 H LEU B 51 -14.660 6.122 0.928 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.219 6.383 3.374 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.599 4.549 2.846 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.292 5.710 2.732 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.397 6.233 5.082 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.143 5.323 6.595 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.858 6.340 5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -15.954 4.567 5.202 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.112 3.979 6.129 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.894 3.233 4.716 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.324 4.050 4.535 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.837 8.611 2.874 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.384 9.953 3.357 1.00 0.00 C ATOM 1745 C ASN B 52 -14.576 10.927 3.300 1.00 0.00 C ATOM 1746 O ASN B 52 -14.735 11.771 4.160 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.210 10.352 2.412 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.538 11.442 1.343 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.310 12.354 1.547 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.912 11.417 0.207 1.00 0.00 N ATOM 0 H ASN B 52 -13.349 8.263 2.049 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.038 9.962 4.391 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.381 10.708 3.024 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.864 9.457 1.896 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.076 12.151 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.255 10.664 0.003 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.405 10.796 2.269 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.590 11.691 2.100 1.00 0.00 C ATOM 1759 C ASP B 53 -17.600 11.498 3.245 1.00 0.00 C ATOM 1760 O ASP B 53 -18.244 12.443 3.668 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.227 11.282 0.765 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.263 12.330 0.341 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.870 13.317 -0.256 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.432 12.122 0.616 1.00 0.00 O ATOM 0 H ASP B 53 -15.298 10.095 1.536 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.295 12.740 2.114 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.458 11.187 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.702 10.306 0.862 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.743 10.276 3.738 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.715 9.999 4.851 1.00 0.00 C ATOM 1771 C ALA B 54 -18.317 10.756 6.134 1.00 0.00 C ATOM 1772 O ALA B 54 -19.169 11.210 6.876 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.635 8.484 5.067 1.00 0.00 C ATOM 0 H ALA B 54 -17.224 9.461 3.412 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.724 10.330 4.606 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.317 8.194 5.867 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.915 7.970 4.147 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.616 8.209 5.341 1.00 0.00 H new ATOM 1779 N GLN B 55 -17.031 10.896 6.381 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.543 11.626 7.597 1.00 0.00 C ATOM 1781 C GLN B 55 -16.376 13.126 7.301 1.00 0.00 C ATOM 1782 O GLN B 55 -16.637 13.960 8.150 1.00 0.00 O ATOM 1783 CB GLN B 55 -15.194 10.970 7.905 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.430 9.583 8.509 1.00 0.00 C ATOM 1785 CD GLN B 55 -14.132 8.784 8.466 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.693 8.255 9.466 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.487 8.688 7.340 1.00 0.00 N ATOM 0 H GLN B 55 -16.291 10.530 5.782 1.00 0.00 H new ATOM 0 HA GLN B 55 -17.237 11.563 8.435 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.601 10.886 6.994 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.626 11.589 8.599 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.778 9.677 9.538 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -16.210 9.061 7.955 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.858 9.133 6.500 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.611 8.167 7.297 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.925 13.464 6.106 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.715 14.898 5.727 1.00 0.00 C ATOM 1798 C ALA B 56 -16.068 15.124 4.244 1.00 0.00 C ATOM 1799 O ALA B 56 -15.863 14.242 3.439 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.221 15.112 5.945 1.00 0.00 C ATOM 0 H ALA B 56 -15.693 12.794 5.373 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.337 15.581 6.304 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.960 16.140 5.694 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.974 14.920 6.989 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.659 14.429 5.308 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.571 16.303 3.921 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.927 16.615 2.504 1.00 0.00 C ATOM 1808 C PRO B 57 -15.657 16.739 1.639 1.00 0.00 C ATOM 1809 O PRO B 57 -14.636 17.235 2.092 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.661 17.951 2.600 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.148 18.573 3.856 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.848 17.445 4.809 1.00 0.00 C ATOM 0 HA PRO B 57 -17.532 15.839 2.036 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.455 18.580 1.734 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.741 17.808 2.641 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.252 19.161 3.658 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.887 19.252 4.281 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.993 17.675 5.445 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.691 17.244 5.469 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.724 16.298 0.400 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.526 16.386 -0.513 1.00 0.00 C ATOM 1822 C LYS B 58 -14.280 17.846 -0.942 1.00 0.00 C ATOM 1823 O LYS B 58 -13.160 18.300 -0.785 1.00 0.00 O ATOM 1824 CB LYS B 58 -14.855 15.512 -1.739 1.00 0.00 C ATOM 1825 CG LYS B 58 -14.817 14.027 -1.356 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.071 13.176 -2.606 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.222 11.699 -2.212 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.634 11.333 -2.538 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.212 18.484 -1.414 1.00 0.00 O ATOM 0 H LYS B 58 -16.555 15.881 -0.020 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.621 16.042 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -15.841 15.770 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.139 15.708 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -13.849 13.776 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.571 13.815 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -15.972 13.520 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.246 13.291 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.519 11.074 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.015 11.554 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.856 10.404 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.278 12.049 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.752 11.291 -3.570 1.00 0.00 H new TER 1843 LYS B 58