USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 155:sc= 0.401 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.376 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 62:sc= 0.285 USER MOD Single : A 17 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.82) USER MOD Single : A 22 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.3 K(o=-3.3,f=-2.6) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0783) USER MOD Single : A 44 MET CE :methyl -127:sc= -11.7! (180deg=-17.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= 0.0961 (180deg=0.0199) USER MOD Single : A 76 THR OG1 : rot 40:sc= 0.0098 USER MOD Single : A 77 TYR OH : rot 106:sc= 0.0129 USER MOD Single : A 80 SER OG : rot 180:sc= -0.177 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 44:sc= 1.08 USER MOD Single : A 90 THR OG1 : rot 130:sc= -0.562 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0585 X(o=-0.059,f=-0.059) USER MOD Single : A 99 HIS : no HD1:sc= -2.7! K(o=-2.7!,f=-0.041) USER MOD Single : A 101 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.34) USER MOD Single : A 103 SER OG : rot -147:sc= 1.04 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 0.726 22.322 4.363 1.00 0.00 N ATOM 67 CA GLU A 8 1.574 21.137 4.370 1.00 0.00 C ATOM 68 C GLU A 8 0.832 19.933 3.798 1.00 0.00 C ATOM 69 O GLU A 8 -0.328 20.036 3.400 1.00 0.00 O ATOM 70 CB GLU A 8 2.047 20.830 5.793 1.00 0.00 C ATOM 71 CG GLU A 8 0.914 20.514 6.756 1.00 0.00 C ATOM 72 CD GLU A 8 1.373 20.466 8.200 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.689 21.537 8.759 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.414 19.356 8.772 1.00 0.00 O ATOM 0 HA GLU A 8 2.442 21.339 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.734 19.985 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.608 21.684 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.133 21.267 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.471 19.555 6.487 1.00 0.00 H new ATOM 81 N VAL A 9 1.511 18.790 3.759 1.00 0.00 N ATOM 82 CA VAL A 9 0.917 17.566 3.236 1.00 0.00 C ATOM 83 C VAL A 9 0.127 16.833 4.316 1.00 0.00 C ATOM 84 O VAL A 9 0.564 16.740 5.463 1.00 0.00 O ATOM 85 CB VAL A 9 1.991 16.619 2.669 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.974 16.215 3.757 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.343 15.393 2.043 1.00 0.00 C ATOM 0 H VAL A 9 2.473 18.687 4.083 1.00 0.00 H new ATOM 0 HA VAL A 9 0.242 17.860 2.433 1.00 0.00 H new ATOM 0 HB VAL A 9 2.543 17.147 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.726 15.546 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.462 17.105 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.440 15.704 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.116 14.735 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.765 14.861 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.682 15.704 1.234 1.00 0.00 H new ATOM 97 N ASP A 10 -1.037 16.315 3.940 1.00 0.00 N ATOM 98 CA ASP A 10 -1.887 15.589 4.876 1.00 0.00 C ATOM 99 C ASP A 10 -2.205 14.192 4.350 1.00 0.00 C ATOM 100 O ASP A 10 -2.508 14.000 3.172 1.00 0.00 O ATOM 101 CB ASP A 10 -3.184 16.361 5.125 1.00 0.00 C ATOM 102 CG ASP A 10 -3.883 15.924 6.397 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.361 16.220 7.493 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.953 15.288 6.298 1.00 0.00 O ATOM 0 H ASP A 10 -1.413 16.384 2.994 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.346 15.489 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.963 17.427 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.856 16.220 4.278 1.00 0.00 H new ATOM 109 N PRO A 11 -2.134 13.193 5.242 1.00 0.00 N ATOM 110 CA PRO A 11 -2.410 11.797 4.891 1.00 0.00 C ATOM 111 C PRO A 11 -3.885 11.555 4.592 1.00 0.00 C ATOM 112 O PRO A 11 -4.232 10.968 3.568 1.00 0.00 O ATOM 113 CB PRO A 11 -1.985 11.026 6.143 1.00 0.00 C ATOM 114 CG PRO A 11 -2.112 12.008 7.255 1.00 0.00 C ATOM 115 CD PRO A 11 -1.779 13.350 6.663 1.00 0.00 C ATOM 0 HA PRO A 11 -1.883 11.493 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.622 10.157 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.962 10.659 6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.121 12.003 7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.433 11.763 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.350 14.150 7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.724 13.594 6.789 1.00 0.00 H new ATOM 123 N ALA A 12 -4.749 12.012 5.492 1.00 0.00 N ATOM 124 CA ALA A 12 -6.188 11.848 5.322 1.00 0.00 C ATOM 125 C ALA A 12 -6.628 12.273 3.926 1.00 0.00 C ATOM 126 O ALA A 12 -7.614 11.764 3.392 1.00 0.00 O ATOM 127 CB ALA A 12 -6.938 12.644 6.380 1.00 0.00 C ATOM 0 H ALA A 12 -4.478 12.499 6.346 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.425 10.791 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.011 12.513 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.654 12.290 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.687 13.701 6.287 1.00 0.00 H new ATOM 133 N LYS A 13 -5.892 13.210 3.338 1.00 0.00 N ATOM 134 CA LYS A 13 -6.205 13.704 2.002 1.00 0.00 C ATOM 135 C LYS A 13 -5.577 12.816 0.932 1.00 0.00 C ATOM 136 O LYS A 13 -6.132 12.650 -0.154 1.00 0.00 O ATOM 137 CB LYS A 13 -5.712 15.143 1.840 1.00 0.00 C ATOM 138 CG LYS A 13 -6.296 16.105 2.861 1.00 0.00 C ATOM 139 CD LYS A 13 -7.633 16.661 2.403 1.00 0.00 C ATOM 140 CE LYS A 13 -8.787 15.776 2.849 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.085 16.506 2.831 1.00 0.00 N ATOM 0 H LYS A 13 -5.074 13.643 3.766 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.288 13.681 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.625 15.157 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.962 15.493 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.422 15.592 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.598 16.925 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.767 17.665 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.639 16.748 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.851 14.906 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.593 15.406 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.846 15.869 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.033 17.322 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.283 16.838 1.865 1.00 0.00 H new ATOM 155 N CYS A 14 -4.418 12.249 1.247 1.00 0.00 N ATOM 156 CA CYS A 14 -3.714 11.377 0.313 1.00 0.00 C ATOM 157 C CYS A 14 -4.630 10.265 -0.188 1.00 0.00 C ATOM 158 O CYS A 14 -5.532 9.822 0.523 1.00 0.00 O ATOM 159 CB CYS A 14 -2.476 10.775 0.978 1.00 0.00 C ATOM 160 SG CYS A 14 -1.133 11.955 1.246 1.00 0.00 S ATOM 0 H CYS A 14 -3.946 12.377 2.142 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.401 11.978 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.765 10.346 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.107 9.956 0.361 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.538 12.900 2.042 1.00 0.00 H new ATOM 166 N VAL A 15 -4.392 9.819 -1.417 1.00 0.00 N ATOM 167 CA VAL A 15 -5.196 8.758 -2.014 1.00 0.00 C ATOM 168 C VAL A 15 -4.312 7.684 -2.637 1.00 0.00 C ATOM 169 O VAL A 15 -3.084 7.767 -2.586 1.00 0.00 O ATOM 170 CB VAL A 15 -6.147 9.313 -3.091 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.478 9.714 -2.473 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.508 10.492 -3.810 1.00 0.00 C ATOM 0 H VAL A 15 -3.650 10.175 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.787 8.318 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.335 8.528 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.137 10.104 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.940 8.843 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.312 10.483 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.194 10.871 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.289 11.281 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.583 10.169 -4.287 1.00 0.00 H new ATOM 182 N LEU A 16 -4.944 6.675 -3.227 1.00 0.00 N ATOM 183 CA LEU A 16 -4.215 5.582 -3.862 1.00 0.00 C ATOM 184 C LEU A 16 -4.756 5.307 -5.261 1.00 0.00 C ATOM 185 O LEU A 16 -5.960 5.402 -5.500 1.00 0.00 O ATOM 186 CB LEU A 16 -4.308 4.316 -3.008 1.00 0.00 C ATOM 187 CG LEU A 16 -3.905 4.465 -1.540 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.656 3.464 -0.676 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.402 4.289 -1.380 1.00 0.00 C ATOM 0 H LEU A 16 -5.959 6.591 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.169 5.878 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.334 3.950 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.679 3.550 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.171 5.469 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.356 3.585 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.728 3.637 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.422 2.452 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.133 4.398 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.113 3.297 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.882 5.045 -1.968 1.00 0.00 H new ATOM 201 N GLN A 17 -3.860 4.963 -6.180 1.00 0.00 N ATOM 202 CA GLN A 17 -4.249 4.673 -7.555 1.00 0.00 C ATOM 203 C GLN A 17 -4.012 3.203 -7.888 1.00 0.00 C ATOM 204 O GLN A 17 -2.901 2.695 -7.746 1.00 0.00 O ATOM 205 CB GLN A 17 -3.469 5.560 -8.526 1.00 0.00 C ATOM 206 CG GLN A 17 -3.872 7.025 -8.469 1.00 0.00 C ATOM 207 CD GLN A 17 -3.401 7.808 -9.678 1.00 0.00 C ATOM 208 OE1 GLN A 17 -4.206 8.243 -10.503 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.091 7.992 -9.792 1.00 0.00 N ATOM 0 H GLN A 17 -2.860 4.878 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.314 4.884 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.405 5.476 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.616 5.190 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.957 7.097 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.460 7.476 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.460 7.614 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.716 8.511 -10.586 1.00 0.00 H new ATOM 218 N GLY A 18 -5.066 2.525 -8.333 1.00 0.00 N ATOM 219 CA GLY A 18 -4.952 1.121 -8.679 1.00 0.00 C ATOM 220 C GLY A 18 -6.286 0.401 -8.630 1.00 0.00 C ATOM 221 O GLY A 18 -6.942 0.369 -7.589 1.00 0.00 O ATOM 0 H GLY A 18 -5.996 2.924 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.530 1.030 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.256 0.637 -7.994 1.00 0.00 H new ATOM 225 N GLU A 19 -6.687 -0.176 -9.758 1.00 0.00 N ATOM 226 CA GLU A 19 -7.952 -0.896 -9.838 1.00 0.00 C ATOM 227 C GLU A 19 -7.933 -2.132 -8.943 1.00 0.00 C ATOM 228 O GLU A 19 -8.884 -2.393 -8.206 1.00 0.00 O ATOM 229 CB GLU A 19 -8.241 -1.304 -11.284 1.00 0.00 C ATOM 230 CG GLU A 19 -8.908 -0.212 -12.104 1.00 0.00 C ATOM 231 CD GLU A 19 -8.003 0.983 -12.329 1.00 0.00 C ATOM 232 OE1 GLU A 19 -6.774 0.785 -12.428 1.00 0.00 O ATOM 233 OE2 GLU A 19 -8.523 2.116 -12.406 1.00 0.00 O ATOM 0 H GLU A 19 -6.155 -0.159 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.742 -0.230 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.306 -1.588 -11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.880 -2.187 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.211 -0.620 -13.068 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.816 0.115 -11.597 1.00 0.00 H new ATOM 240 N ASP A 20 -6.844 -2.889 -9.014 1.00 0.00 N ATOM 241 CA ASP A 20 -6.699 -4.098 -8.211 1.00 0.00 C ATOM 242 C ASP A 20 -5.843 -3.831 -6.977 1.00 0.00 C ATOM 243 O ASP A 20 -4.685 -4.244 -6.911 1.00 0.00 O ATOM 244 CB ASP A 20 -6.078 -5.219 -9.045 1.00 0.00 C ATOM 245 CG ASP A 20 -4.879 -4.750 -9.844 1.00 0.00 C ATOM 246 OD1 ASP A 20 -4.236 -3.764 -9.426 1.00 0.00 O ATOM 247 OD2 ASP A 20 -4.582 -5.369 -10.887 1.00 0.00 O ATOM 0 H ASP A 20 -6.048 -2.687 -9.619 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.691 -4.408 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.776 -6.033 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.829 -5.621 -9.725 1.00 0.00 H new ATOM 252 N LEU A 21 -6.419 -3.137 -6.002 1.00 0.00 N ATOM 253 CA LEU A 21 -5.709 -2.813 -4.770 1.00 0.00 C ATOM 254 C LEU A 21 -6.119 -3.754 -3.641 1.00 0.00 C ATOM 255 O LEU A 21 -5.291 -4.162 -2.827 1.00 0.00 O ATOM 256 CB LEU A 21 -5.982 -1.363 -4.366 1.00 0.00 C ATOM 257 CG LEU A 21 -5.106 -0.303 -5.035 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.541 1.092 -4.613 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.640 -0.532 -4.696 1.00 0.00 C ATOM 0 H LEU A 21 -7.376 -2.788 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.642 -2.938 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.025 -1.136 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.859 -1.278 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.226 -0.388 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.907 1.833 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.578 1.254 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.450 1.190 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.031 0.231 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.503 -0.474 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.335 -1.517 -5.048 1.00 0.00 H new ATOM 271 N HIS A 22 -7.403 -4.095 -3.600 1.00 0.00 N ATOM 272 CA HIS A 22 -7.924 -4.990 -2.573 1.00 0.00 C ATOM 273 C HIS A 22 -7.945 -6.432 -3.069 1.00 0.00 C ATOM 274 O HIS A 22 -8.701 -7.262 -2.563 1.00 0.00 O ATOM 275 CB HIS A 22 -9.331 -4.561 -2.157 1.00 0.00 C ATOM 276 CG HIS A 22 -9.417 -3.131 -1.720 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.390 -2.746 -0.396 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.527 -1.990 -2.440 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.482 -1.430 -0.320 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.566 -0.947 -1.547 1.00 0.00 N ATOM 0 H HIS A 22 -8.102 -3.765 -4.266 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.264 -4.931 -1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.012 -4.718 -2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.672 -5.202 -1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.575 -1.914 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.488 -0.848 0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.647 0.040 -1.791 1.00 0.00 H new ATOM 289 N ARG A 23 -7.112 -6.724 -4.063 1.00 0.00 N ATOM 290 CA ARG A 23 -7.037 -8.065 -4.629 1.00 0.00 C ATOM 291 C ARG A 23 -5.615 -8.385 -5.082 1.00 0.00 C ATOM 292 O ARG A 23 -4.945 -7.551 -5.690 1.00 0.00 O ATOM 293 CB ARG A 23 -8.002 -8.199 -5.808 1.00 0.00 C ATOM 294 CG ARG A 23 -8.354 -9.638 -6.147 1.00 0.00 C ATOM 295 CD ARG A 23 -9.741 -9.743 -6.761 1.00 0.00 C ATOM 296 NE ARG A 23 -9.785 -9.187 -8.111 1.00 0.00 N ATOM 297 CZ ARG A 23 -10.768 -9.425 -8.972 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.783 -10.205 -8.626 1.00 0.00 N ATOM 299 NH2 ARG A 23 -10.737 -8.883 -10.183 1.00 0.00 N ATOM 0 H ARG A 23 -6.479 -6.049 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.322 -8.776 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.918 -7.654 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.559 -7.726 -6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.616 -10.040 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.308 -10.247 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.047 -10.789 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.458 -9.218 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.019 -8.583 -8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.810 -10.624 -7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.536 -10.386 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.958 -8.283 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.492 -9.066 -10.843 1.00 0.00 H new ATOM 313 N ALA A 24 -5.163 -9.598 -4.782 1.00 0.00 N ATOM 314 CA ALA A 24 -3.822 -10.028 -5.159 1.00 0.00 C ATOM 315 C ALA A 24 -3.775 -11.535 -5.391 1.00 0.00 C ATOM 316 O ALA A 24 -4.689 -12.261 -5.003 1.00 0.00 O ATOM 317 CB ALA A 24 -2.818 -9.624 -4.091 1.00 0.00 C ATOM 0 H ALA A 24 -5.706 -10.300 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.558 -9.534 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.821 -9.952 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.825 -8.540 -3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.087 -10.090 -3.143 1.00 0.00 H new ATOM 323 N ARG A 25 -2.703 -11.997 -6.026 1.00 0.00 N ATOM 324 CA ARG A 25 -2.537 -13.417 -6.311 1.00 0.00 C ATOM 325 C ARG A 25 -1.237 -13.944 -5.712 1.00 0.00 C ATOM 326 O ARG A 25 -0.224 -13.245 -5.691 1.00 0.00 O ATOM 327 CB ARG A 25 -2.550 -13.661 -7.821 1.00 0.00 C ATOM 328 CG ARG A 25 -2.298 -15.110 -8.207 1.00 0.00 C ATOM 329 CD ARG A 25 -1.912 -15.237 -9.672 1.00 0.00 C ATOM 330 NE ARG A 25 -0.647 -14.568 -9.965 1.00 0.00 N ATOM 331 CZ ARG A 25 0.541 -15.135 -9.793 1.00 0.00 C ATOM 332 NH1 ARG A 25 0.627 -16.375 -9.331 1.00 0.00 N ATOM 333 NH2 ARG A 25 1.647 -14.462 -10.082 1.00 0.00 N ATOM 0 H ARG A 25 -1.937 -11.409 -6.353 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.370 -13.952 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.514 -13.350 -8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.792 -13.032 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.504 -15.521 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.194 -15.700 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.834 -16.292 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.700 -14.810 -10.293 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.678 -13.613 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.221 -16.896 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.541 -16.808 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.585 -13.508 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.559 -14.899 -9.949 1.00 0.00 H new ATOM 347 N GLU A 26 -1.274 -15.181 -5.225 1.00 0.00 N ATOM 348 CA GLU A 26 -0.098 -15.800 -4.624 1.00 0.00 C ATOM 349 C GLU A 26 1.108 -15.693 -5.552 1.00 0.00 C ATOM 350 O GLU A 26 1.015 -15.983 -6.745 1.00 0.00 O ATOM 351 CB GLU A 26 -0.378 -17.269 -4.299 1.00 0.00 C ATOM 352 CG GLU A 26 0.878 -18.084 -4.038 1.00 0.00 C ATOM 353 CD GLU A 26 1.517 -17.759 -2.701 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.708 -16.559 -2.412 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.825 -18.704 -1.945 1.00 0.00 O ATOM 0 H GLU A 26 -2.104 -15.773 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 26 0.129 -15.268 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.024 -17.322 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.927 -17.718 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.631 -19.145 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.598 -17.900 -4.835 1.00 0.00 H new ATOM 362 N LYS A 27 2.240 -15.274 -4.997 1.00 0.00 N ATOM 363 CA LYS A 27 3.466 -15.129 -5.773 1.00 0.00 C ATOM 364 C LYS A 27 3.276 -14.128 -6.908 1.00 0.00 C ATOM 365 O LYS A 27 3.779 -14.328 -8.013 1.00 0.00 O ATOM 366 CB LYS A 27 3.898 -16.483 -6.340 1.00 0.00 C ATOM 367 CG LYS A 27 4.555 -17.391 -5.314 1.00 0.00 C ATOM 368 CD LYS A 27 5.106 -18.653 -5.957 1.00 0.00 C ATOM 369 CE LYS A 27 6.188 -19.289 -5.098 1.00 0.00 C ATOM 370 NZ LYS A 27 6.709 -20.546 -5.704 1.00 0.00 N ATOM 0 H LYS A 27 2.334 -15.029 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 27 4.245 -14.755 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.026 -16.989 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.592 -16.318 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.362 -16.854 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.829 -17.660 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.297 -19.367 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.513 -18.414 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.008 -18.583 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.787 -19.502 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.444 -20.949 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.932 -21.229 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.115 -20.338 -6.639 1.00 0.00 H new ATOM 384 N GLN A 28 2.548 -13.052 -6.626 1.00 0.00 N ATOM 385 CA GLN A 28 2.294 -12.020 -7.625 1.00 0.00 C ATOM 386 C GLN A 28 2.879 -10.682 -7.186 1.00 0.00 C ATOM 387 O GLN A 28 2.986 -10.400 -5.992 1.00 0.00 O ATOM 388 CB GLN A 28 0.790 -11.878 -7.869 1.00 0.00 C ATOM 389 CG GLN A 28 0.450 -11.199 -9.186 1.00 0.00 C ATOM 390 CD GLN A 28 0.387 -9.689 -9.066 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.056 -8.968 -9.806 1.00 0.00 O ATOM 392 NE2 GLN A 28 -0.420 -9.203 -8.130 1.00 0.00 N ATOM 0 H GLN A 28 2.124 -12.872 -5.716 1.00 0.00 H new ATOM 0 HA GLN A 28 2.779 -12.320 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.332 -12.867 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.350 -11.308 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.197 -11.469 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.509 -11.571 -9.545 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.956 -9.838 -7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.504 -8.194 -8.002 1.00 0.00 H new ATOM 401 N THR A 29 3.257 -9.859 -8.159 1.00 0.00 N ATOM 402 CA THR A 29 3.832 -8.551 -7.874 1.00 0.00 C ATOM 403 C THR A 29 2.815 -7.440 -8.105 1.00 0.00 C ATOM 404 O THR A 29 2.604 -7.004 -9.236 1.00 0.00 O ATOM 405 CB THR A 29 5.075 -8.282 -8.743 1.00 0.00 C ATOM 406 OG1 THR A 29 5.986 -9.383 -8.649 1.00 0.00 O ATOM 407 CG2 THR A 29 5.773 -7.002 -8.309 1.00 0.00 C ATOM 0 H THR A 29 3.175 -10.076 -9.152 1.00 0.00 H new ATOM 0 HA THR A 29 4.126 -8.558 -6.824 1.00 0.00 H new ATOM 0 HB THR A 29 4.750 -8.167 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.773 -9.205 -9.206 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.648 -6.833 -8.937 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.087 -6.161 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.086 -7.093 -7.269 1.00 0.00 H new ATOM 415 N ALA A 30 2.186 -6.986 -7.026 1.00 0.00 N ATOM 416 CA ALA A 30 1.192 -5.923 -7.111 1.00 0.00 C ATOM 417 C ALA A 30 1.790 -4.578 -6.711 1.00 0.00 C ATOM 418 O ALA A 30 2.348 -4.436 -5.624 1.00 0.00 O ATOM 419 CB ALA A 30 -0.008 -6.251 -6.235 1.00 0.00 C ATOM 0 H ALA A 30 2.347 -7.338 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 30 0.862 -5.850 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.742 -5.449 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.458 -7.186 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.315 -6.354 -5.199 1.00 0.00 H new ATOM 425 N SER A 31 1.670 -3.595 -7.598 1.00 0.00 N ATOM 426 CA SER A 31 2.203 -2.263 -7.339 1.00 0.00 C ATOM 427 C SER A 31 1.144 -1.195 -7.595 1.00 0.00 C ATOM 428 O SER A 31 0.245 -1.380 -8.415 1.00 0.00 O ATOM 429 CB SER A 31 3.429 -2.002 -8.216 1.00 0.00 C ATOM 430 OG SER A 31 3.103 -2.101 -9.591 1.00 0.00 O ATOM 0 H SER A 31 1.208 -3.696 -8.502 1.00 0.00 H new ATOM 0 HA SER A 31 2.498 -2.214 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.827 -1.010 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.213 -2.719 -7.973 1.00 0.00 H new ATOM 0 HG SER A 31 3.739 -1.572 -10.117 1.00 0.00 H new ATOM 436 N PHE A 32 1.258 -0.077 -6.886 1.00 0.00 N ATOM 437 CA PHE A 32 0.310 1.022 -7.035 1.00 0.00 C ATOM 438 C PHE A 32 1.008 2.368 -6.866 1.00 0.00 C ATOM 439 O PHE A 32 2.173 2.433 -6.472 1.00 0.00 O ATOM 440 CB PHE A 32 -0.821 0.889 -6.013 1.00 0.00 C ATOM 441 CG PHE A 32 -0.342 0.565 -4.627 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.101 -0.710 -4.313 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.336 1.535 -3.637 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.543 -1.011 -3.039 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.105 1.239 -2.361 1.00 0.00 C ATOM 446 CZ PHE A 32 0.544 -0.036 -2.062 1.00 0.00 C ATOM 0 H PHE A 32 1.997 0.092 -6.203 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.110 0.974 -8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.386 1.821 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.508 0.110 -6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.101 -1.477 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.680 2.533 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.887 -2.008 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.106 2.004 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.888 -0.270 -1.065 1.00 0.00 H new ATOM 456 N THR A 33 0.287 3.444 -7.167 1.00 0.00 N ATOM 457 CA THR A 33 0.835 4.789 -7.051 1.00 0.00 C ATOM 458 C THR A 33 0.135 5.575 -5.949 1.00 0.00 C ATOM 459 O THR A 33 -1.090 5.703 -5.945 1.00 0.00 O ATOM 460 CB THR A 33 0.709 5.563 -8.377 1.00 0.00 C ATOM 461 OG1 THR A 33 1.414 4.874 -9.416 1.00 0.00 O ATOM 462 CG2 THR A 33 1.260 6.974 -8.234 1.00 0.00 C ATOM 0 H THR A 33 -0.679 3.409 -7.493 1.00 0.00 H new ATOM 0 HA THR A 33 1.890 4.680 -6.801 1.00 0.00 H new ATOM 0 HB THR A 33 -0.348 5.626 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.327 5.372 -10.256 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.160 7.501 -9.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.703 7.506 -7.463 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.312 6.927 -7.954 1.00 0.00 H new ATOM 470 N LEU A 34 0.919 6.101 -5.014 1.00 0.00 N ATOM 471 CA LEU A 34 0.374 6.876 -3.905 1.00 0.00 C ATOM 472 C LEU A 34 0.526 8.373 -4.160 1.00 0.00 C ATOM 473 O LEU A 34 1.642 8.888 -4.252 1.00 0.00 O ATOM 474 CB LEU A 34 1.074 6.496 -2.599 1.00 0.00 C ATOM 475 CG LEU A 34 0.855 7.445 -1.420 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.575 7.347 -0.913 1.00 0.00 C ATOM 477 CD2 LEU A 34 1.842 7.142 -0.302 1.00 0.00 C ATOM 0 H LEU A 34 1.934 6.005 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.688 6.646 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.738 5.501 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.145 6.427 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 34 1.027 8.465 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.711 8.030 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.264 7.614 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.776 6.327 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.672 7.827 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.702 6.116 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.860 7.266 -0.672 1.00 0.00 H new ATOM 489 N LEU A 35 -0.601 9.066 -4.272 1.00 0.00 N ATOM 490 CA LEU A 35 -0.594 10.505 -4.514 1.00 0.00 C ATOM 491 C LEU A 35 -0.558 11.278 -3.199 1.00 0.00 C ATOM 492 O LEU A 35 -1.085 10.821 -2.184 1.00 0.00 O ATOM 493 CB LEU A 35 -1.826 10.912 -5.324 1.00 0.00 C ATOM 494 CG LEU A 35 -1.995 10.224 -6.679 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.426 10.366 -7.175 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.017 10.797 -7.694 1.00 0.00 C ATOM 0 H LEU A 35 -1.532 8.655 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 35 0.304 10.749 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.713 10.711 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.789 11.989 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.779 9.163 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.527 9.870 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.107 9.907 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.671 11.423 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.152 10.295 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.201 11.865 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.003 10.642 -7.344 1.00 0.00 H new ATOM 508 N CYS A 36 0.065 12.451 -3.226 1.00 0.00 N ATOM 509 CA CYS A 36 0.169 13.288 -2.037 1.00 0.00 C ATOM 510 C CYS A 36 -0.471 14.652 -2.275 1.00 0.00 C ATOM 511 O CYS A 36 -0.102 15.370 -3.204 1.00 0.00 O ATOM 512 CB CYS A 36 1.635 13.462 -1.636 1.00 0.00 C ATOM 513 SG CYS A 36 2.496 11.910 -1.297 1.00 0.00 S ATOM 0 H CYS A 36 0.505 12.843 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.365 12.792 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.159 13.989 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.686 14.094 -0.750 1.00 0.00 H new ATOM 0 HG CYS A 36 3.729 12.160 -0.969 1.00 0.00 H new ATOM 519 N LYS A 37 -1.435 15.003 -1.430 1.00 0.00 N ATOM 520 CA LYS A 37 -2.128 16.281 -1.547 1.00 0.00 C ATOM 521 C LYS A 37 -1.945 17.117 -0.285 1.00 0.00 C ATOM 522 O LYS A 37 -1.380 16.650 0.704 1.00 0.00 O ATOM 523 CB LYS A 37 -3.618 16.053 -1.810 1.00 0.00 C ATOM 524 CG LYS A 37 -3.916 15.506 -3.195 1.00 0.00 C ATOM 525 CD LYS A 37 -3.871 13.988 -3.216 1.00 0.00 C ATOM 526 CE LYS A 37 -3.884 13.449 -4.639 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.092 13.894 -5.389 1.00 0.00 N ATOM 0 H LYS A 37 -1.754 14.420 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.696 16.825 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.008 15.361 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.150 16.996 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.900 15.846 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.192 15.902 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.973 13.643 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.725 13.590 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.988 13.783 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.852 12.360 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.107 13.439 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.947 13.627 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.066 14.927 -5.507 1.00 0.00 H new ATOM 541 N ASP A 38 -2.428 18.354 -0.325 1.00 0.00 N ATOM 542 CA ASP A 38 -2.319 19.255 0.817 1.00 0.00 C ATOM 543 C ASP A 38 -3.528 19.113 1.737 1.00 0.00 C ATOM 544 O ASP A 38 -4.460 18.365 1.443 1.00 0.00 O ATOM 545 CB ASP A 38 -2.191 20.703 0.341 1.00 0.00 C ATOM 546 CG ASP A 38 -3.533 21.319 -0.004 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.499 20.557 -0.218 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.616 22.564 -0.061 1.00 0.00 O ATOM 0 H ASP A 38 -2.899 18.756 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.424 18.986 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.711 21.297 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.542 20.739 -0.534 1.00 0.00 H new ATOM 553 N ALA A 39 -3.505 19.836 2.851 1.00 0.00 N ATOM 554 CA ALA A 39 -4.599 19.792 3.814 1.00 0.00 C ATOM 555 C ALA A 39 -5.936 20.075 3.138 1.00 0.00 C ATOM 556 O ALA A 39 -6.987 19.655 3.621 1.00 0.00 O ATOM 557 CB ALA A 39 -4.353 20.787 4.939 1.00 0.00 C ATOM 0 H ALA A 39 -2.741 20.460 3.110 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.639 18.787 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.178 20.743 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.422 20.538 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.283 21.793 4.526 1.00 0.00 H new ATOM 563 N ALA A 40 -5.889 20.791 2.019 1.00 0.00 N ATOM 564 CA ALA A 40 -7.097 21.128 1.276 1.00 0.00 C ATOM 565 C ALA A 40 -7.536 19.970 0.387 1.00 0.00 C ATOM 566 O ALA A 40 -8.710 19.855 0.037 1.00 0.00 O ATOM 567 CB ALA A 40 -6.871 22.381 0.442 1.00 0.00 C ATOM 0 H ALA A 40 -5.027 21.149 1.607 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.894 21.322 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.781 22.621 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.613 23.213 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.057 22.208 -0.262 1.00 0.00 H new ATOM 573 N GLY A 41 -6.586 19.115 0.024 1.00 0.00 N ATOM 574 CA GLY A 41 -6.895 17.977 -0.822 1.00 0.00 C ATOM 575 C GLY A 41 -6.504 18.208 -2.269 1.00 0.00 C ATOM 576 O GLY A 41 -7.054 17.580 -3.173 1.00 0.00 O ATOM 0 H GLY A 41 -5.607 19.190 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.376 17.096 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.963 17.766 -0.766 1.00 0.00 H new ATOM 580 N GLU A 42 -5.555 19.112 -2.487 1.00 0.00 N ATOM 581 CA GLU A 42 -5.094 19.425 -3.835 1.00 0.00 C ATOM 582 C GLU A 42 -3.625 19.050 -4.008 1.00 0.00 C ATOM 583 O GLU A 42 -2.889 18.912 -3.030 1.00 0.00 O ATOM 584 CB GLU A 42 -5.291 20.913 -4.132 1.00 0.00 C ATOM 585 CG GLU A 42 -4.390 21.821 -3.312 1.00 0.00 C ATOM 586 CD GLU A 42 -5.014 23.178 -3.049 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.154 23.218 -2.540 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.362 24.199 -3.351 1.00 0.00 O ATOM 0 H GLU A 42 -5.090 19.640 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.685 18.840 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.105 21.091 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.331 21.179 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.163 21.339 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.443 21.956 -3.835 1.00 0.00 H new ATOM 595 N ILE A 43 -3.206 18.887 -5.258 1.00 0.00 N ATOM 596 CA ILE A 43 -1.826 18.529 -5.560 1.00 0.00 C ATOM 597 C ILE A 43 -0.861 19.610 -5.087 1.00 0.00 C ATOM 598 O ILE A 43 -1.115 20.802 -5.260 1.00 0.00 O ATOM 599 CB ILE A 43 -1.621 18.299 -7.069 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.564 17.205 -7.574 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.173 17.932 -7.358 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.306 15.851 -6.951 1.00 0.00 C ATOM 0 H ILE A 43 -3.802 18.997 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.618 17.601 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.853 19.224 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.593 17.500 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.466 17.123 -8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.045 17.773 -8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.480 18.741 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.085 17.019 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.011 15.124 -7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.288 15.534 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.433 15.918 -5.870 1.00 0.00 H new ATOM 614 N MET A 44 0.248 19.186 -4.489 1.00 0.00 N ATOM 615 CA MET A 44 1.253 20.119 -3.993 1.00 0.00 C ATOM 616 C MET A 44 2.478 20.133 -4.902 1.00 0.00 C ATOM 617 O MET A 44 3.095 21.176 -5.112 1.00 0.00 O ATOM 618 CB MET A 44 1.666 19.747 -2.568 1.00 0.00 C ATOM 619 CG MET A 44 2.086 18.294 -2.417 1.00 0.00 C ATOM 620 SD MET A 44 2.675 17.910 -0.756 1.00 0.00 S ATOM 621 CE MET A 44 1.180 18.161 0.199 1.00 0.00 C ATOM 0 H MET A 44 0.473 18.203 -4.336 1.00 0.00 H new ATOM 0 HA MET A 44 0.815 21.117 -3.988 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.490 20.389 -2.258 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.834 19.948 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.241 17.649 -2.657 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.872 18.070 -3.138 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.384 18.849 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.405 18.581 -0.442 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.841 17.206 0.601 1.00 0.00 H new ATOM 631 N GLY A 45 2.824 18.967 -5.440 1.00 0.00 N ATOM 632 CA GLY A 45 3.974 18.868 -6.320 1.00 0.00 C ATOM 633 C GLY A 45 5.287 18.960 -5.570 1.00 0.00 C ATOM 634 O GLY A 45 6.177 19.720 -5.953 1.00 0.00 O ATOM 0 H GLY A 45 2.328 18.090 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.933 17.922 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.928 19.663 -7.064 1.00 0.00 H new ATOM 638 N ARG A 46 5.410 18.186 -4.497 1.00 0.00 N ATOM 639 CA ARG A 46 6.624 18.186 -3.689 1.00 0.00 C ATOM 640 C ARG A 46 6.722 16.911 -2.856 1.00 0.00 C ATOM 641 O ARG A 46 5.729 16.440 -2.305 1.00 0.00 O ATOM 642 CB ARG A 46 6.652 19.411 -2.772 1.00 0.00 C ATOM 643 CG ARG A 46 5.498 19.458 -1.784 1.00 0.00 C ATOM 644 CD ARG A 46 5.223 20.879 -1.316 1.00 0.00 C ATOM 645 NE ARG A 46 6.258 21.366 -0.408 1.00 0.00 N ATOM 646 CZ ARG A 46 6.351 22.630 -0.010 1.00 0.00 C ATOM 647 NH1 ARG A 46 5.476 23.529 -0.438 1.00 0.00 N ATOM 648 NH2 ARG A 46 7.322 22.996 0.818 1.00 0.00 N ATOM 0 H ARG A 46 4.684 17.551 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 46 7.480 18.226 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.592 19.420 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.633 20.313 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.602 19.047 -2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.728 18.829 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.159 21.540 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.255 20.915 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 46 6.947 20.699 -0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.729 23.251 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.550 24.499 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.997 22.307 1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.393 23.967 1.123 1.00 0.00 H new ATOM 662 N GLY A 47 7.928 16.358 -2.770 1.00 0.00 N ATOM 663 CA GLY A 47 8.135 15.143 -2.004 1.00 0.00 C ATOM 664 C GLY A 47 8.609 15.422 -0.592 1.00 0.00 C ATOM 665 O GLY A 47 8.052 16.273 0.101 1.00 0.00 O ATOM 0 H GLY A 47 8.766 16.730 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.204 14.578 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.868 14.517 -2.513 1.00 0.00 H new ATOM 669 N GLY A 48 9.640 14.701 -0.162 1.00 0.00 N ATOM 670 CA GLY A 48 10.170 14.889 1.176 1.00 0.00 C ATOM 671 C GLY A 48 9.210 14.420 2.251 1.00 0.00 C ATOM 672 O GLY A 48 9.146 15.003 3.333 1.00 0.00 O ATOM 0 H GLY A 48 10.118 13.990 -0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.110 14.346 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.395 15.944 1.329 1.00 0.00 H new ATOM 676 N ASP A 49 8.461 13.364 1.953 1.00 0.00 N ATOM 677 CA ASP A 49 7.499 12.817 2.903 1.00 0.00 C ATOM 678 C ASP A 49 7.978 11.476 3.449 1.00 0.00 C ATOM 679 O ASP A 49 8.900 10.867 2.909 1.00 0.00 O ATOM 680 CB ASP A 49 6.131 12.651 2.237 1.00 0.00 C ATOM 681 CG ASP A 49 5.694 13.899 1.495 1.00 0.00 C ATOM 682 OD1 ASP A 49 6.510 14.447 0.725 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.536 14.327 1.685 1.00 0.00 O ATOM 0 H ASP A 49 8.501 12.870 1.062 1.00 0.00 H new ATOM 0 HA ASP A 49 7.408 13.516 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.168 11.812 1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.388 12.404 2.996 1.00 0.00 H new ATOM 688 N ASN A 50 7.345 11.021 4.526 1.00 0.00 N ATOM 689 CA ASN A 50 7.707 9.753 5.148 1.00 0.00 C ATOM 690 C ASN A 50 6.611 8.712 4.941 1.00 0.00 C ATOM 691 O ASN A 50 5.615 8.691 5.665 1.00 0.00 O ATOM 692 CB ASN A 50 7.964 9.949 6.643 1.00 0.00 C ATOM 693 CG ASN A 50 9.365 10.454 6.928 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.317 9.676 6.988 1.00 0.00 O ATOM 695 ND2 ASN A 50 9.497 11.764 7.105 1.00 0.00 N ATOM 0 H ASN A 50 6.578 11.512 4.986 1.00 0.00 H new ATOM 0 HA ASN A 50 8.620 9.392 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.238 10.656 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.809 9.003 7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.416 12.162 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.680 12.371 7.046 1.00 0.00 H new ATOM 702 N VAL A 51 6.801 7.850 3.947 1.00 0.00 N ATOM 703 CA VAL A 51 5.829 6.805 3.645 1.00 0.00 C ATOM 704 C VAL A 51 6.255 5.469 4.243 1.00 0.00 C ATOM 705 O VAL A 51 7.440 5.137 4.262 1.00 0.00 O ATOM 706 CB VAL A 51 5.639 6.638 2.126 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.652 5.518 1.832 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.177 7.945 1.500 1.00 0.00 C ATOM 0 H VAL A 51 7.619 7.854 3.337 1.00 0.00 H new ATOM 0 HA VAL A 51 4.883 7.114 4.090 1.00 0.00 H new ATOM 0 HB VAL A 51 6.599 6.370 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.530 5.414 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.029 4.583 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.689 5.753 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.048 7.809 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.228 8.246 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.923 8.719 1.680 1.00 0.00 H new ATOM 718 N GLN A 52 5.281 4.707 4.730 1.00 0.00 N ATOM 719 CA GLN A 52 5.556 3.407 5.329 1.00 0.00 C ATOM 720 C GLN A 52 4.607 2.344 4.783 1.00 0.00 C ATOM 721 O GLN A 52 3.397 2.556 4.712 1.00 0.00 O ATOM 722 CB GLN A 52 5.430 3.486 6.852 1.00 0.00 C ATOM 723 CG GLN A 52 6.628 4.133 7.528 1.00 0.00 C ATOM 724 CD GLN A 52 7.850 3.235 7.535 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.749 2.029 7.312 1.00 0.00 O ATOM 726 NE2 GLN A 52 9.013 3.821 7.791 1.00 0.00 N ATOM 0 H GLN A 52 4.295 4.968 4.721 1.00 0.00 H new ATOM 0 HA GLN A 52 6.577 3.125 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.532 4.050 7.105 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.298 2.480 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.870 5.065 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.366 4.391 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.050 4.824 7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.870 3.268 7.808 1.00 0.00 H new ATOM 735 N VAL A 53 5.166 1.201 4.398 1.00 0.00 N ATOM 736 CA VAL A 53 4.370 0.105 3.859 1.00 0.00 C ATOM 737 C VAL A 53 4.743 -1.220 4.514 1.00 0.00 C ATOM 738 O VAL A 53 5.841 -1.737 4.309 1.00 0.00 O ATOM 739 CB VAL A 53 4.547 -0.020 2.334 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.806 -1.241 1.809 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.070 1.244 1.636 1.00 0.00 C ATOM 0 H VAL A 53 6.167 1.010 4.449 1.00 0.00 H new ATOM 0 HA VAL A 53 3.327 0.334 4.079 1.00 0.00 H new ATOM 0 HB VAL A 53 5.608 -0.147 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.942 -1.313 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.200 -2.139 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.744 -1.147 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.203 1.137 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.015 1.406 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.650 2.096 1.990 1.00 0.00 H new ATOM 751 N ALA A 54 3.822 -1.764 5.303 1.00 0.00 N ATOM 752 CA ALA A 54 4.054 -3.030 5.986 1.00 0.00 C ATOM 753 C ALA A 54 2.853 -3.959 5.842 1.00 0.00 C ATOM 754 O ALA A 54 1.793 -3.714 6.418 1.00 0.00 O ATOM 755 CB ALA A 54 4.363 -2.788 7.456 1.00 0.00 C ATOM 0 H ALA A 54 2.909 -1.348 5.485 1.00 0.00 H new ATOM 0 HA ALA A 54 4.913 -3.514 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.534 -3.742 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.255 -2.168 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.521 -2.280 7.926 1.00 0.00 H new ATOM 761 N VAL A 55 3.027 -5.027 5.070 1.00 0.00 N ATOM 762 CA VAL A 55 1.957 -5.994 4.850 1.00 0.00 C ATOM 763 C VAL A 55 2.072 -7.169 5.814 1.00 0.00 C ATOM 764 O VAL A 55 3.162 -7.694 6.043 1.00 0.00 O ATOM 765 CB VAL A 55 1.970 -6.526 3.405 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.707 -7.325 3.119 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.121 -5.380 2.416 1.00 0.00 C ATOM 0 H VAL A 55 3.898 -5.245 4.586 1.00 0.00 H new ATOM 0 HA VAL A 55 1.017 -5.472 5.028 1.00 0.00 H new ATOM 0 HB VAL A 55 2.826 -7.190 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.734 -7.693 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.647 -8.169 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.166 -6.686 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.128 -5.775 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.287 -4.688 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.057 -4.855 2.608 1.00 0.00 H new ATOM 777 N VAL A 56 0.940 -7.578 6.378 1.00 0.00 N ATOM 778 CA VAL A 56 0.913 -8.693 7.317 1.00 0.00 C ATOM 779 C VAL A 56 -0.344 -9.536 7.133 1.00 0.00 C ATOM 780 O VAL A 56 -1.464 -9.025 7.091 1.00 0.00 O ATOM 781 CB VAL A 56 0.979 -8.201 8.775 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.008 -9.379 9.736 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.191 -7.305 8.980 1.00 0.00 C ATOM 0 H VAL A 56 0.029 -7.154 6.201 1.00 0.00 H new ATOM 0 HA VAL A 56 1.791 -9.304 7.108 1.00 0.00 H new ATOM 0 HB VAL A 56 0.083 -7.616 8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.055 -9.011 10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.106 -9.977 9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.884 -9.994 9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.222 -6.966 10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.099 -7.864 8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.122 -6.442 8.318 1.00 0.00 H new ATOM 793 N PRO A 57 -0.158 -10.859 7.022 1.00 0.00 N ATOM 794 CA PRO A 57 -1.266 -11.802 6.842 1.00 0.00 C ATOM 795 C PRO A 57 -2.128 -11.930 8.093 1.00 0.00 C ATOM 796 O PRO A 57 -1.628 -12.239 9.175 1.00 0.00 O ATOM 797 CB PRO A 57 -0.560 -13.126 6.541 1.00 0.00 C ATOM 798 CG PRO A 57 0.782 -12.992 7.174 1.00 0.00 C ATOM 799 CD PRO A 57 1.148 -11.537 7.063 1.00 0.00 C ATOM 0 HA PRO A 57 -1.951 -11.481 6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.110 -13.971 6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.476 -13.295 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.755 -13.309 8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.516 -13.619 6.668 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.746 -11.207 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.733 -11.337 6.165 1.00 0.00 H new ATOM 807 N LYS A 58 -3.426 -11.690 7.939 1.00 0.00 N ATOM 808 CA LYS A 58 -4.358 -11.780 9.056 1.00 0.00 C ATOM 809 C LYS A 58 -4.224 -13.121 9.771 1.00 0.00 C ATOM 810 O LYS A 58 -4.521 -13.234 10.960 1.00 0.00 O ATOM 811 CB LYS A 58 -5.795 -11.594 8.564 1.00 0.00 C ATOM 812 CG LYS A 58 -6.079 -10.201 8.027 1.00 0.00 C ATOM 813 CD LYS A 58 -6.345 -9.214 9.151 1.00 0.00 C ATOM 814 CE LYS A 58 -7.747 -9.380 9.717 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.772 -8.715 8.866 1.00 0.00 N ATOM 0 H LYS A 58 -3.856 -11.432 7.051 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.116 -10.986 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.000 -12.325 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.481 -11.805 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.231 -9.859 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.941 -10.236 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.612 -9.358 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.219 -8.197 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.980 -10.441 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.784 -8.962 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.714 -8.851 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.565 -7.698 8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.755 -9.131 7.913 1.00 0.00 H new ATOM 829 N ASP A 59 -3.775 -14.134 9.038 1.00 0.00 N ATOM 830 CA ASP A 59 -3.600 -15.467 9.603 1.00 0.00 C ATOM 831 C ASP A 59 -2.386 -15.511 10.525 1.00 0.00 C ATOM 832 O ASP A 59 -2.521 -15.654 11.741 1.00 0.00 O ATOM 833 CB ASP A 59 -3.444 -16.501 8.486 1.00 0.00 C ATOM 834 CG ASP A 59 -4.779 -17.001 7.970 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.489 -17.690 8.732 1.00 0.00 O ATOM 836 OD2 ASP A 59 -5.114 -16.702 6.805 1.00 0.00 O ATOM 0 H ASP A 59 -3.526 -14.058 8.052 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.488 -15.706 10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.881 -16.060 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.861 -17.345 8.855 1.00 0.00 H new ATOM 841 N LYS A 60 -1.199 -15.387 9.940 1.00 0.00 N ATOM 842 CA LYS A 60 0.040 -15.412 10.709 1.00 0.00 C ATOM 843 C LYS A 60 0.437 -14.005 11.145 1.00 0.00 C ATOM 844 O LYS A 60 0.351 -13.055 10.368 1.00 0.00 O ATOM 845 CB LYS A 60 1.165 -16.038 9.882 1.00 0.00 C ATOM 846 CG LYS A 60 0.767 -17.335 9.198 1.00 0.00 C ATOM 847 CD LYS A 60 1.033 -18.538 10.087 1.00 0.00 C ATOM 848 CE LYS A 60 0.553 -19.827 9.439 1.00 0.00 C ATOM 849 NZ LYS A 60 0.967 -21.027 10.217 1.00 0.00 N ATOM 0 H LYS A 60 -1.069 -15.268 8.935 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.126 -16.017 11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.490 -15.323 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.020 -16.227 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.291 -17.300 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.321 -17.441 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.101 -18.609 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.531 -18.402 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.533 -19.807 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.952 -19.895 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.620 -21.885 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.005 -21.060 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.565 -20.975 11.175 1.00 0.00 H new ATOM 863 N LYS A 61 0.876 -13.880 12.393 1.00 0.00 N ATOM 864 CA LYS A 61 1.290 -12.590 12.933 1.00 0.00 C ATOM 865 C LYS A 61 2.789 -12.377 12.744 1.00 0.00 C ATOM 866 O LYS A 61 3.259 -11.242 12.669 1.00 0.00 O ATOM 867 CB LYS A 61 0.934 -12.498 14.419 1.00 0.00 C ATOM 868 CG LYS A 61 -0.560 -12.434 14.684 1.00 0.00 C ATOM 869 CD LYS A 61 -0.892 -12.844 16.109 1.00 0.00 C ATOM 870 CE LYS A 61 -0.786 -14.350 16.294 1.00 0.00 C ATOM 871 NZ LYS A 61 -1.564 -14.820 17.474 1.00 0.00 N ATOM 0 H LYS A 61 0.954 -14.657 13.050 1.00 0.00 H new ATOM 0 HA LYS A 61 0.758 -11.809 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.350 -13.362 14.938 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.408 -11.613 14.843 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.919 -11.421 14.503 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.083 -13.087 13.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.215 -12.343 16.800 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.901 -12.516 16.358 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.148 -14.852 15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.261 -14.628 16.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.466 -15.851 17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.202 -14.360 18.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.567 -14.577 17.347 1.00 0.00 H new ATOM 885 N ASP A 62 3.532 -13.476 12.667 1.00 0.00 N ATOM 886 CA ASP A 62 4.977 -13.409 12.484 1.00 0.00 C ATOM 887 C ASP A 62 5.337 -13.379 11.002 1.00 0.00 C ATOM 888 O ASP A 62 5.851 -12.381 10.498 1.00 0.00 O ATOM 889 CB ASP A 62 5.654 -14.602 13.162 1.00 0.00 C ATOM 890 CG ASP A 62 5.404 -14.636 14.657 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.902 -13.734 15.363 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.711 -15.565 15.120 1.00 0.00 O ATOM 0 H ASP A 62 3.158 -14.423 12.728 1.00 0.00 H new ATOM 0 HA ASP A 62 5.334 -12.488 12.945 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.289 -15.526 12.714 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.727 -14.561 12.977 1.00 0.00 H new ATOM 897 N SER A 63 5.063 -14.480 10.309 1.00 0.00 N ATOM 898 CA SER A 63 5.362 -14.582 8.886 1.00 0.00 C ATOM 899 C SER A 63 5.222 -13.225 8.203 1.00 0.00 C ATOM 900 O SER A 63 4.131 -12.809 7.810 1.00 0.00 O ATOM 901 CB SER A 63 4.434 -15.600 8.220 1.00 0.00 C ATOM 902 OG SER A 63 4.700 -16.912 8.683 1.00 0.00 O ATOM 0 H SER A 63 4.634 -15.314 10.711 1.00 0.00 H new ATOM 0 HA SER A 63 6.393 -14.918 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.396 -15.341 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.562 -15.560 7.138 1.00 0.00 H new ATOM 0 HG SER A 63 4.093 -17.543 8.244 1.00 0.00 H new ATOM 908 N PRO A 64 6.351 -12.517 8.058 1.00 0.00 N ATOM 909 CA PRO A 64 6.381 -11.196 7.422 1.00 0.00 C ATOM 910 C PRO A 64 6.119 -11.269 5.922 1.00 0.00 C ATOM 911 O PRO A 64 6.066 -12.354 5.342 1.00 0.00 O ATOM 912 CB PRO A 64 7.806 -10.705 7.692 1.00 0.00 C ATOM 913 CG PRO A 64 8.609 -11.948 7.866 1.00 0.00 C ATOM 914 CD PRO A 64 7.686 -12.951 8.503 1.00 0.00 C ATOM 0 HA PRO A 64 5.606 -10.537 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.181 -10.104 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.847 -10.079 8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.978 -12.311 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.480 -11.765 8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.908 -13.967 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.770 -12.941 9.590 1.00 0.00 H new ATOM 922 N VAL A 65 5.954 -10.107 5.297 1.00 0.00 N ATOM 923 CA VAL A 65 5.698 -10.039 3.863 1.00 0.00 C ATOM 924 C VAL A 65 6.746 -9.185 3.158 1.00 0.00 C ATOM 925 O VAL A 65 7.115 -8.114 3.639 1.00 0.00 O ATOM 926 CB VAL A 65 4.300 -9.464 3.569 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.145 -9.170 2.085 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.219 -10.421 4.048 1.00 0.00 C ATOM 0 H VAL A 65 5.993 -9.200 5.762 1.00 0.00 H new ATOM 0 HA VAL A 65 5.750 -11.059 3.483 1.00 0.00 H new ATOM 0 HB VAL A 65 4.190 -8.526 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.151 -8.764 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.898 -8.444 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.275 -10.091 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.238 -9.999 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.324 -11.376 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.319 -10.575 5.122 1.00 0.00 H new ATOM 938 N ARG A 66 7.222 -9.667 2.014 1.00 0.00 N ATOM 939 CA ARG A 66 8.228 -8.948 1.242 1.00 0.00 C ATOM 940 C ARG A 66 7.609 -7.755 0.520 1.00 0.00 C ATOM 941 O ARG A 66 6.652 -7.903 -0.241 1.00 0.00 O ATOM 942 CB ARG A 66 8.888 -9.884 0.228 1.00 0.00 C ATOM 943 CG ARG A 66 10.053 -10.677 0.800 1.00 0.00 C ATOM 944 CD ARG A 66 11.327 -9.849 0.833 1.00 0.00 C ATOM 945 NE ARG A 66 11.832 -9.566 -0.508 1.00 0.00 N ATOM 946 CZ ARG A 66 12.652 -8.559 -0.788 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.059 -7.744 0.176 1.00 0.00 N ATOM 948 NH2 ARG A 66 13.067 -8.367 -2.033 1.00 0.00 N ATOM 0 H ARG A 66 6.927 -10.552 1.602 1.00 0.00 H new ATOM 0 HA ARG A 66 8.986 -8.579 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.139 -10.578 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.240 -9.297 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.808 -11.010 1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.215 -11.572 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.136 -8.911 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.090 -10.380 1.403 1.00 0.00 H new ATOM 0 HE ARG A 66 11.539 -10.175 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.742 -7.890 1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.689 -6.971 -0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.757 -8.993 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.697 -7.594 -2.247 1.00 0.00 H new ATOM 962 N THR A 67 8.162 -6.571 0.764 1.00 0.00 N ATOM 963 CA THR A 67 7.664 -5.351 0.139 1.00 0.00 C ATOM 964 C THR A 67 8.803 -4.539 -0.466 1.00 0.00 C ATOM 965 O THR A 67 9.976 -4.830 -0.235 1.00 0.00 O ATOM 966 CB THR A 67 6.903 -4.473 1.150 1.00 0.00 C ATOM 967 OG1 THR A 67 7.702 -4.266 2.319 1.00 0.00 O ATOM 968 CG2 THR A 67 5.582 -5.118 1.540 1.00 0.00 C ATOM 0 H THR A 67 8.955 -6.431 1.390 1.00 0.00 H new ATOM 0 HA THR A 67 6.980 -5.657 -0.652 1.00 0.00 H new ATOM 0 HB THR A 67 6.695 -3.512 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.211 -3.705 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.062 -4.480 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.964 -5.246 0.652 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.772 -6.091 1.994 1.00 0.00 H new ATOM 976 N MET A 68 8.449 -3.519 -1.241 1.00 0.00 N ATOM 977 CA MET A 68 9.444 -2.663 -1.878 1.00 0.00 C ATOM 978 C MET A 68 8.903 -1.249 -2.066 1.00 0.00 C ATOM 979 O MET A 68 7.833 -1.054 -2.641 1.00 0.00 O ATOM 980 CB MET A 68 9.859 -3.246 -3.230 1.00 0.00 C ATOM 981 CG MET A 68 11.288 -2.910 -3.624 1.00 0.00 C ATOM 982 SD MET A 68 11.959 -4.053 -4.847 1.00 0.00 S ATOM 983 CE MET A 68 13.137 -4.962 -3.849 1.00 0.00 C ATOM 0 H MET A 68 7.482 -3.265 -1.443 1.00 0.00 H new ATOM 0 HA MET A 68 10.317 -2.616 -1.227 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.744 -4.330 -3.200 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.182 -2.875 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.322 -1.896 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.919 -2.924 -2.735 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.636 -5.710 -4.466 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.878 -4.273 -3.443 1.00 0.00 H new ATOM 0 HE3 MET A 68 12.615 -5.457 -3.030 1.00 0.00 H new ATOM 993 N VAL A 69 9.651 -0.265 -1.575 1.00 0.00 N ATOM 994 CA VAL A 69 9.247 1.131 -1.690 1.00 0.00 C ATOM 995 C VAL A 69 10.285 1.942 -2.458 1.00 0.00 C ATOM 996 O VAL A 69 11.409 2.127 -1.994 1.00 0.00 O ATOM 997 CB VAL A 69 9.036 1.770 -0.304 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.324 1.732 0.504 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.528 3.197 -0.447 1.00 0.00 C ATOM 0 H VAL A 69 10.539 -0.409 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 69 8.304 1.144 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 69 8.283 1.193 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.155 2.188 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.640 0.697 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.101 2.284 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.385 3.633 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.256 3.788 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.579 3.193 -0.983 1.00 0.00 H new ATOM 1009 N GLN A 70 9.898 2.424 -3.635 1.00 0.00 N ATOM 1010 CA GLN A 70 10.796 3.215 -4.468 1.00 0.00 C ATOM 1011 C GLN A 70 10.449 4.698 -4.386 1.00 0.00 C ATOM 1012 O GLN A 70 9.657 5.205 -5.180 1.00 0.00 O ATOM 1013 CB GLN A 70 10.727 2.743 -5.921 1.00 0.00 C ATOM 1014 CG GLN A 70 12.023 2.948 -6.689 1.00 0.00 C ATOM 1015 CD GLN A 70 11.875 2.657 -8.170 1.00 0.00 C ATOM 1016 OE1 GLN A 70 11.118 1.771 -8.568 1.00 0.00 O ATOM 1017 NE2 GLN A 70 12.600 3.404 -8.995 1.00 0.00 N ATOM 0 H GLN A 70 8.970 2.281 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 70 11.811 3.077 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.467 1.685 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.924 3.277 -6.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.361 3.976 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.795 2.302 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.214 4.127 -8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.542 3.254 -10.002 1.00 0.00 H new ATOM 1026 N ASP A 71 11.047 5.388 -3.420 1.00 0.00 N ATOM 1027 CA ASP A 71 10.801 6.814 -3.235 1.00 0.00 C ATOM 1028 C ASP A 71 11.110 7.589 -4.512 1.00 0.00 C ATOM 1029 O ASP A 71 12.097 7.314 -5.193 1.00 0.00 O ATOM 1030 CB ASP A 71 11.646 7.352 -2.079 1.00 0.00 C ATOM 1031 CG ASP A 71 13.003 6.683 -1.993 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.854 6.952 -2.868 1.00 0.00 O ATOM 1033 OD2 ASP A 71 13.216 5.891 -1.052 1.00 0.00 O ATOM 0 H ASP A 71 11.705 4.983 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 71 9.746 6.948 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.781 8.427 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.111 7.203 -1.141 1.00 0.00 H new ATOM 1038 N ASN A 72 10.259 8.559 -4.830 1.00 0.00 N ATOM 1039 CA ASN A 72 10.441 9.373 -6.026 1.00 0.00 C ATOM 1040 C ASN A 72 10.493 10.856 -5.672 1.00 0.00 C ATOM 1041 O ASN A 72 11.076 11.659 -6.400 1.00 0.00 O ATOM 1042 CB ASN A 72 9.308 9.114 -7.022 1.00 0.00 C ATOM 1043 CG ASN A 72 9.450 7.778 -7.725 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.340 7.593 -8.555 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.570 6.840 -7.396 1.00 0.00 N ATOM 0 H ASN A 72 9.437 8.800 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 72 11.390 9.094 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.353 9.146 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.291 9.912 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.615 5.921 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.849 7.038 -6.702 1.00 0.00 H new ATOM 1052 N LYS A 73 9.879 11.212 -4.549 1.00 0.00 N ATOM 1053 CA LYS A 73 9.855 12.598 -4.096 1.00 0.00 C ATOM 1054 C LYS A 73 9.443 13.534 -5.227 1.00 0.00 C ATOM 1055 O LYS A 73 9.910 14.670 -5.306 1.00 0.00 O ATOM 1056 CB LYS A 73 11.230 13.003 -3.559 1.00 0.00 C ATOM 1057 CG LYS A 73 11.615 12.293 -2.274 1.00 0.00 C ATOM 1058 CD LYS A 73 12.333 10.983 -2.554 1.00 0.00 C ATOM 1059 CE LYS A 73 13.765 11.219 -3.012 1.00 0.00 C ATOM 1060 NZ LYS A 73 14.346 10.010 -3.659 1.00 0.00 N ATOM 0 H LYS A 73 9.391 10.560 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 73 9.120 12.680 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.983 12.794 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.241 14.079 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.258 12.941 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.720 12.099 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.334 10.368 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.792 10.427 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.789 12.053 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.378 11.503 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.382 10.036 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.982 9.156 -3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.080 9.993 -4.664 1.00 0.00 H new ATOM 1074 N ASP A 74 8.565 13.050 -6.099 1.00 0.00 N ATOM 1075 CA ASP A 74 8.088 13.844 -7.224 1.00 0.00 C ATOM 1076 C ASP A 74 6.580 14.058 -7.138 1.00 0.00 C ATOM 1077 O ASP A 74 5.973 14.643 -8.034 1.00 0.00 O ATOM 1078 CB ASP A 74 8.444 13.161 -8.546 1.00 0.00 C ATOM 1079 CG ASP A 74 9.936 13.155 -8.810 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.616 14.119 -8.399 1.00 0.00 O ATOM 1081 OD2 ASP A 74 10.425 12.186 -9.429 1.00 0.00 O ATOM 0 H ASP A 74 8.169 12.111 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 74 8.578 14.817 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.076 12.135 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.935 13.671 -9.364 1.00 0.00 H new ATOM 1086 N GLY A 75 5.980 13.578 -6.053 1.00 0.00 N ATOM 1087 CA GLY A 75 4.548 13.725 -5.870 1.00 0.00 C ATOM 1088 C GLY A 75 3.824 12.393 -5.867 1.00 0.00 C ATOM 1089 O GLY A 75 2.695 12.292 -5.385 1.00 0.00 O ATOM 0 H GLY A 75 6.460 13.090 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.356 14.241 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.146 14.352 -6.666 1.00 0.00 H new ATOM 1093 N THR A 76 4.473 11.367 -6.409 1.00 0.00 N ATOM 1094 CA THR A 76 3.883 10.036 -6.470 1.00 0.00 C ATOM 1095 C THR A 76 4.894 8.968 -6.068 1.00 0.00 C ATOM 1096 O THR A 76 6.019 8.945 -6.568 1.00 0.00 O ATOM 1097 CB THR A 76 3.354 9.721 -7.882 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.313 10.122 -8.866 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.032 10.430 -8.135 1.00 0.00 C ATOM 0 H THR A 76 5.408 11.433 -6.812 1.00 0.00 H new ATOM 0 HA THR A 76 3.050 10.026 -5.767 1.00 0.00 H new ATOM 0 HB THR A 76 3.191 8.646 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.215 9.904 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.678 10.193 -9.138 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.296 10.099 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.174 11.507 -8.046 1.00 0.00 H new ATOM 1107 N TYR A 77 4.486 8.084 -5.164 1.00 0.00 N ATOM 1108 CA TYR A 77 5.357 7.014 -4.694 1.00 0.00 C ATOM 1109 C TYR A 77 5.019 5.695 -5.382 1.00 0.00 C ATOM 1110 O TYR A 77 3.881 5.469 -5.792 1.00 0.00 O ATOM 1111 CB TYR A 77 5.235 6.857 -3.178 1.00 0.00 C ATOM 1112 CG TYR A 77 6.054 7.860 -2.397 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.583 9.149 -2.177 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.297 7.520 -1.880 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.328 10.070 -1.465 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.048 8.433 -1.166 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.560 9.707 -0.961 1.00 0.00 C ATOM 1118 OH TYR A 77 8.305 10.620 -0.251 1.00 0.00 O ATOM 0 H TYR A 77 3.557 8.088 -4.742 1.00 0.00 H new ATOM 0 HA TYR A 77 6.384 7.280 -4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.187 6.956 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.547 5.850 -2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.618 9.436 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.683 6.524 -2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.948 11.068 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.012 8.151 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 77 8.272 10.398 0.703 1.00 0.00 H new ATOM 1128 N TYR A 78 6.017 4.826 -5.504 1.00 0.00 N ATOM 1129 CA TYR A 78 5.828 3.530 -6.143 1.00 0.00 C ATOM 1130 C TYR A 78 6.040 2.394 -5.146 1.00 0.00 C ATOM 1131 O TYR A 78 7.166 2.125 -4.727 1.00 0.00 O ATOM 1132 CB TYR A 78 6.789 3.374 -7.323 1.00 0.00 C ATOM 1133 CG TYR A 78 6.330 2.363 -8.349 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.121 2.521 -9.015 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.104 1.250 -8.652 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.697 1.600 -9.953 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.688 0.324 -9.589 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.484 0.504 -10.237 1.00 0.00 C ATOM 1139 OH TYR A 78 5.066 -0.417 -11.171 1.00 0.00 O ATOM 0 H TYR A 78 6.965 4.996 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 78 4.803 3.481 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.914 4.341 -7.809 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.768 3.078 -6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.502 3.379 -8.796 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.047 1.106 -8.146 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.754 1.738 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.302 -0.536 -9.813 1.00 0.00 H new ATOM 0 HH TYR A 78 5.736 -1.127 -11.253 1.00 0.00 H new ATOM 1149 N ILE A 79 4.951 1.733 -4.772 1.00 0.00 N ATOM 1150 CA ILE A 79 5.017 0.626 -3.826 1.00 0.00 C ATOM 1151 C ILE A 79 4.751 -0.706 -4.520 1.00 0.00 C ATOM 1152 O ILE A 79 3.924 -0.792 -5.427 1.00 0.00 O ATOM 1153 CB ILE A 79 4.005 0.805 -2.679 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.271 2.115 -1.936 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.075 -0.376 -1.722 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.062 2.647 -1.197 1.00 0.00 C ATOM 0 H ILE A 79 4.012 1.944 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 79 6.026 0.623 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 79 3.001 0.846 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.083 1.962 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.610 2.866 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.354 -0.235 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.843 -1.295 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.079 -0.445 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.324 3.578 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.255 2.833 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.735 1.914 -0.459 1.00 0.00 H new ATOM 1168 N SER A 80 5.458 -1.745 -4.085 1.00 0.00 N ATOM 1169 CA SER A 80 5.301 -3.073 -4.665 1.00 0.00 C ATOM 1170 C SER A 80 5.412 -4.151 -3.592 1.00 0.00 C ATOM 1171 O SER A 80 6.345 -4.149 -2.788 1.00 0.00 O ATOM 1172 CB SER A 80 6.354 -3.307 -5.750 1.00 0.00 C ATOM 1173 OG SER A 80 6.278 -2.314 -6.758 1.00 0.00 O ATOM 0 H SER A 80 6.145 -1.692 -3.333 1.00 0.00 H new ATOM 0 HA SER A 80 4.309 -3.132 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.348 -3.301 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.210 -4.292 -6.194 1.00 0.00 H new ATOM 0 HG SER A 80 6.962 -2.485 -7.438 1.00 0.00 H new ATOM 1179 N TYR A 81 4.454 -5.071 -3.585 1.00 0.00 N ATOM 1180 CA TYR A 81 4.441 -6.155 -2.609 1.00 0.00 C ATOM 1181 C TYR A 81 4.196 -7.498 -3.290 1.00 0.00 C ATOM 1182 O TYR A 81 3.558 -7.568 -4.341 1.00 0.00 O ATOM 1183 CB TYR A 81 3.367 -5.903 -1.550 1.00 0.00 C ATOM 1184 CG TYR A 81 1.957 -5.959 -2.093 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.310 -7.175 -2.276 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.272 -4.796 -2.424 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.022 -7.231 -2.773 1.00 0.00 C ATOM 1188 CE2 TYR A 81 -0.017 -4.843 -2.919 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.637 -6.062 -3.092 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.920 -6.113 -3.587 1.00 0.00 O ATOM 0 H TYR A 81 3.676 -5.088 -4.244 1.00 0.00 H new ATOM 0 HA TYR A 81 5.417 -6.187 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.471 -6.642 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.535 -4.925 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.823 -8.092 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.755 -3.839 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.466 -8.185 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.536 -3.930 -3.169 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.241 -5.203 -3.759 1.00 0.00 H new ATOM 1200 N THR A 82 4.708 -8.564 -2.682 1.00 0.00 N ATOM 1201 CA THR A 82 4.546 -9.906 -3.228 1.00 0.00 C ATOM 1202 C THR A 82 4.217 -10.910 -2.129 1.00 0.00 C ATOM 1203 O THR A 82 5.073 -11.297 -1.332 1.00 0.00 O ATOM 1204 CB THR A 82 5.815 -10.368 -3.967 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.214 -9.378 -4.922 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.577 -11.694 -4.674 1.00 0.00 C ATOM 0 H THR A 82 5.238 -8.524 -1.812 1.00 0.00 H new ATOM 0 HA THR A 82 3.718 -9.862 -3.936 1.00 0.00 H new ATOM 0 HB THR A 82 6.608 -10.503 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.023 -9.679 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.487 -12.000 -5.189 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.302 -12.453 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.771 -11.580 -5.399 1.00 0.00 H new ATOM 1214 N PRO A 83 2.949 -11.344 -2.083 1.00 0.00 N ATOM 1215 CA PRO A 83 2.479 -12.310 -1.086 1.00 0.00 C ATOM 1216 C PRO A 83 3.051 -13.705 -1.316 1.00 0.00 C ATOM 1217 O PRO A 83 2.745 -14.356 -2.316 1.00 0.00 O ATOM 1218 CB PRO A 83 0.961 -12.315 -1.285 1.00 0.00 C ATOM 1219 CG PRO A 83 0.763 -11.890 -2.699 1.00 0.00 C ATOM 1220 CD PRO A 83 1.876 -10.925 -3.000 1.00 0.00 C ATOM 0 HA PRO A 83 2.790 -12.038 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.542 -13.305 -1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.469 -11.631 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.796 -12.746 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.210 -11.417 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.191 -10.987 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.573 -9.894 -2.819 1.00 0.00 H new ATOM 1228 N LYS A 84 3.882 -14.160 -0.385 1.00 0.00 N ATOM 1229 CA LYS A 84 4.496 -15.478 -0.484 1.00 0.00 C ATOM 1230 C LYS A 84 3.466 -16.578 -0.245 1.00 0.00 C ATOM 1231 O LYS A 84 3.628 -17.704 -0.714 1.00 0.00 O ATOM 1232 CB LYS A 84 5.640 -15.608 0.524 1.00 0.00 C ATOM 1233 CG LYS A 84 6.941 -14.982 0.053 1.00 0.00 C ATOM 1234 CD LYS A 84 8.110 -15.396 0.931 1.00 0.00 C ATOM 1235 CE LYS A 84 8.036 -14.742 2.303 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.362 -14.719 2.979 1.00 0.00 N ATOM 0 H LYS A 84 4.146 -13.634 0.448 1.00 0.00 H new ATOM 0 HA LYS A 84 4.894 -15.590 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.341 -15.141 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.810 -16.664 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.136 -15.279 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.847 -13.896 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.116 -16.480 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.046 -15.121 0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.663 -13.723 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.321 -15.281 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.269 -14.266 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.707 -15.693 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.038 -14.183 2.399 1.00 0.00 H new ATOM 1250 N GLU A 85 2.408 -16.242 0.485 1.00 0.00 N ATOM 1251 CA GLU A 85 1.352 -17.202 0.785 1.00 0.00 C ATOM 1252 C GLU A 85 -0.025 -16.587 0.549 1.00 0.00 C ATOM 1253 O GLU A 85 -0.234 -15.386 0.719 1.00 0.00 O ATOM 1254 CB GLU A 85 1.466 -17.684 2.232 1.00 0.00 C ATOM 1255 CG GLU A 85 2.537 -18.741 2.439 1.00 0.00 C ATOM 1256 CD GLU A 85 2.280 -19.601 3.661 1.00 0.00 C ATOM 1257 OE1 GLU A 85 2.424 -19.087 4.790 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.934 -20.789 3.489 1.00 0.00 O ATOM 0 H GLU A 85 2.259 -15.313 0.879 1.00 0.00 H new ATOM 0 HA GLU A 85 1.470 -18.054 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.681 -16.830 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.504 -18.087 2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.589 -19.378 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.507 -18.255 2.539 1.00 0.00 H new ATOM 1265 N PRO A 86 -0.988 -17.430 0.146 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.361 -16.993 -0.122 1.00 0.00 C ATOM 1267 C PRO A 86 -3.103 -16.598 1.150 1.00 0.00 C ATOM 1268 O PRO A 86 -2.641 -16.867 2.258 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.008 -18.227 -0.757 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.217 -19.378 -0.239 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.810 -18.875 -0.077 1.00 0.00 C ATOM 0 HA PRO A 86 -2.390 -16.106 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.058 -18.311 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.970 -18.178 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.617 -19.730 0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.253 -20.219 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.307 -19.352 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.208 -19.074 -0.963 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.257 -15.959 0.983 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.044 -15.537 2.127 1.00 0.00 C ATOM 1281 C GLY A 87 -5.219 -14.033 2.188 1.00 0.00 C ATOM 1282 O GLY A 87 -4.732 -13.308 1.320 1.00 0.00 O ATOM 0 H GLY A 87 -4.661 -15.726 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.024 -16.012 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.562 -15.881 3.042 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.919 -13.561 3.215 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.158 -12.133 3.386 1.00 0.00 C ATOM 1288 C VAL A 88 -4.988 -11.461 4.095 1.00 0.00 C ATOM 1289 O VAL A 88 -4.438 -11.999 5.056 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.448 -11.872 4.186 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.410 -12.610 5.515 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.648 -10.379 4.401 1.00 0.00 C ATOM 0 H VAL A 88 -6.331 -14.147 3.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.266 -11.708 2.388 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.294 -12.250 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.329 -12.414 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.317 -13.681 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.556 -12.265 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.564 -10.213 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.800 -9.974 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.723 -9.879 3.435 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.612 -10.280 3.615 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.505 -9.534 4.201 1.00 0.00 C ATOM 1304 C TYR A 89 -3.944 -8.126 4.592 1.00 0.00 C ATOM 1305 O TYR A 89 -5.039 -7.684 4.241 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.334 -9.462 3.220 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.561 -10.756 3.104 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.105 -11.858 2.458 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.284 -10.875 3.640 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.402 -13.043 2.350 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.427 -12.055 3.536 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.136 -13.136 2.891 1.00 0.00 C ATOM 1313 OH TYR A 89 0.568 -14.313 2.785 1.00 0.00 O ATOM 0 H TYR A 89 -5.058 -9.819 2.822 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.183 -10.058 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.712 -9.185 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.655 -8.670 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.095 -11.788 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.160 -10.031 4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.841 -13.891 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.418 -12.130 3.958 1.00 0.00 H new ATOM 0 HH TYR A 89 0.474 -14.670 1.877 1.00 0.00 H new ATOM 1323 N THR A 90 -3.081 -7.425 5.320 1.00 0.00 N ATOM 1324 CA THR A 90 -3.377 -6.067 5.759 1.00 0.00 C ATOM 1325 C THR A 90 -2.232 -5.118 5.424 1.00 0.00 C ATOM 1326 O THR A 90 -1.219 -5.081 6.123 1.00 0.00 O ATOM 1327 CB THR A 90 -3.647 -6.013 7.275 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.534 -7.072 7.652 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.250 -4.674 7.670 1.00 0.00 C ATOM 0 H THR A 90 -2.171 -7.775 5.618 1.00 0.00 H new ATOM 0 HA THR A 90 -4.274 -5.751 5.226 1.00 0.00 H new ATOM 0 HB THR A 90 -2.697 -6.133 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.158 -7.557 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.432 -4.660 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.559 -3.872 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.192 -4.529 7.141 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.399 -4.351 4.352 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.379 -3.401 3.925 1.00 0.00 C ATOM 1339 C VAL A 91 -1.395 -2.150 4.797 1.00 0.00 C ATOM 1340 O VAL A 91 -2.331 -1.352 4.737 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.575 -2.990 2.454 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.406 -2.142 1.976 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.746 -4.221 1.576 1.00 0.00 C ATOM 0 H VAL A 91 -3.231 -4.369 3.763 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.416 -3.902 4.029 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.482 -2.390 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.562 -1.861 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.335 -1.243 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.518 -2.714 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.883 -3.912 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.858 -4.849 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.619 -4.785 1.906 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.355 -1.986 5.605 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.249 -0.831 6.490 1.00 0.00 C ATOM 1355 C TRP A 92 0.421 0.340 5.778 1.00 0.00 C ATOM 1356 O TRP A 92 1.637 0.350 5.588 1.00 0.00 O ATOM 1357 CB TRP A 92 0.539 -1.197 7.748 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.281 -1.919 8.774 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.163 -2.937 8.549 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.297 -1.676 10.185 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.726 -3.341 9.736 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.211 -2.584 10.754 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.373 -0.781 11.023 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.471 -2.620 12.121 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.114 -0.818 12.380 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.800 -1.732 12.918 1.00 0.00 C ATOM 0 H TRP A 92 0.427 -2.638 5.666 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.257 -0.530 6.776 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.388 -1.820 7.468 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.944 -0.288 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.385 -3.362 7.581 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.416 -4.085 9.841 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.081 -0.073 10.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.177 -3.323 12.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.625 -0.130 13.037 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.979 -1.737 13.983 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.381 1.326 5.387 1.00 0.00 N ATOM 1378 CA VAL A 93 0.135 2.502 4.698 1.00 0.00 C ATOM 1379 C VAL A 93 -0.123 3.770 5.505 1.00 0.00 C ATOM 1380 O VAL A 93 -1.258 4.239 5.598 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.499 2.658 3.303 1.00 0.00 C ATOM 1382 CG1 VAL A 93 0.041 3.899 2.607 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.249 1.415 2.463 1.00 0.00 C ATOM 0 H VAL A 93 -1.390 1.333 5.536 1.00 0.00 H new ATOM 0 HA VAL A 93 1.210 2.357 4.587 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.576 2.777 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.418 3.993 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.194 4.781 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.122 3.813 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.704 1.542 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.824 1.263 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.688 0.548 2.956 1.00 0.00 H new ATOM 1393 N CYS A 94 0.937 4.319 6.088 1.00 0.00 N ATOM 1394 CA CYS A 94 0.826 5.533 6.888 1.00 0.00 C ATOM 1395 C CYS A 94 1.923 6.528 6.522 1.00 0.00 C ATOM 1396 O CYS A 94 3.073 6.146 6.303 1.00 0.00 O ATOM 1397 CB CYS A 94 0.904 5.195 8.378 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.403 4.086 8.953 1.00 0.00 S ATOM 0 H CYS A 94 1.883 3.943 6.022 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.140 5.991 6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.871 4.737 8.586 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.859 6.120 8.952 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.251 3.858 10.224 1.00 0.00 H new ATOM 1404 N ILE A 95 1.559 7.804 6.457 1.00 0.00 N ATOM 1405 CA ILE A 95 2.511 8.854 6.117 1.00 0.00 C ATOM 1406 C ILE A 95 2.768 9.770 7.309 1.00 0.00 C ATOM 1407 O ILE A 95 1.850 10.405 7.828 1.00 0.00 O ATOM 1408 CB ILE A 95 2.016 9.701 4.930 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.932 8.845 3.664 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.935 10.893 4.710 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.175 9.508 2.535 1.00 0.00 C ATOM 0 H ILE A 95 0.611 8.136 6.635 1.00 0.00 H new ATOM 0 HA ILE A 95 3.440 8.358 5.836 1.00 0.00 H new ATOM 0 HB ILE A 95 1.018 10.074 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.941 8.611 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.450 7.898 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.572 11.482 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.948 11.512 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.944 10.540 4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.156 8.844 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.154 9.717 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.669 10.441 2.265 1.00 0.00 H new ATOM 1423 N LYS A 96 4.024 9.836 7.737 1.00 0.00 N ATOM 1424 CA LYS A 96 4.406 10.677 8.865 1.00 0.00 C ATOM 1425 C LYS A 96 3.665 10.257 10.131 1.00 0.00 C ATOM 1426 O LYS A 96 3.072 11.088 10.818 1.00 0.00 O ATOM 1427 CB LYS A 96 4.113 12.146 8.554 1.00 0.00 C ATOM 1428 CG LYS A 96 5.062 12.752 7.535 1.00 0.00 C ATOM 1429 CD LYS A 96 4.882 14.257 7.431 1.00 0.00 C ATOM 1430 CE LYS A 96 5.743 14.847 6.324 1.00 0.00 C ATOM 1431 NZ LYS A 96 7.126 15.138 6.793 1.00 0.00 N ATOM 0 H LYS A 96 4.796 9.316 7.319 1.00 0.00 H new ATOM 0 HA LYS A 96 5.476 10.554 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.091 12.234 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.168 12.722 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.091 12.526 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.890 12.296 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.834 14.487 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.142 14.722 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.783 14.152 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.284 15.765 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.681 15.539 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.090 15.821 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.574 14.258 7.120 1.00 0.00 H new ATOM 1445 N GLU A 97 3.705 8.963 10.434 1.00 0.00 N ATOM 1446 CA GLU A 97 3.038 8.435 11.618 1.00 0.00 C ATOM 1447 C GLU A 97 1.539 8.717 11.569 1.00 0.00 C ATOM 1448 O GLU A 97 0.932 9.077 12.577 1.00 0.00 O ATOM 1449 CB GLU A 97 3.641 9.044 12.885 1.00 0.00 C ATOM 1450 CG GLU A 97 5.111 8.710 13.081 1.00 0.00 C ATOM 1451 CD GLU A 97 5.846 9.764 13.886 1.00 0.00 C ATOM 1452 OE1 GLU A 97 6.367 10.721 13.276 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.901 9.631 15.126 1.00 0.00 O ATOM 0 H GLU A 97 4.192 8.262 9.876 1.00 0.00 H new ATOM 0 HA GLU A 97 3.187 7.355 11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.525 10.127 12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.079 8.693 13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.197 7.747 13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.589 8.603 12.107 1.00 0.00 H new ATOM 1460 N GLN A 98 0.950 8.552 10.389 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.477 8.790 10.208 1.00 0.00 C ATOM 1462 C GLN A 98 -1.047 7.885 9.120 1.00 0.00 C ATOM 1463 O GLN A 98 -0.458 7.740 8.048 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.730 10.256 9.852 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.327 11.227 10.951 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.594 12.672 10.579 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.729 13.145 10.655 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.452 13.383 10.175 1.00 0.00 N ATOM 0 H GLN A 98 1.439 8.255 9.545 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.980 8.559 11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.181 10.501 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.789 10.390 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.872 10.984 11.863 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.733 11.102 11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.375 12.951 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.333 14.361 9.913 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.195 7.278 9.403 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.844 6.386 8.448 1.00 0.00 C ATOM 1479 C HIS A 99 -3.653 7.181 7.427 1.00 0.00 C ATOM 1480 O HIS A 99 -4.637 7.835 7.773 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.753 5.397 9.178 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.503 6.005 10.323 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -5.000 5.266 11.376 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.839 7.292 10.578 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -5.610 6.070 12.227 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.527 7.305 11.766 1.00 0.00 N ATOM 0 H HIS A 99 -2.695 7.387 10.285 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.068 5.832 7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.467 4.980 8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.150 4.568 9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.609 8.148 9.962 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.094 5.769 13.144 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.912 8.134 12.219 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.231 7.119 6.168 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.917 7.832 5.097 1.00 0.00 C ATOM 1497 C VAL A 100 -5.296 7.238 4.836 1.00 0.00 C ATOM 1498 O VAL A 100 -5.694 6.265 5.476 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.101 7.802 3.791 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.676 8.271 4.040 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.113 6.405 3.188 1.00 0.00 C ATOM 0 H VAL A 100 -2.418 6.583 5.865 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.027 8.866 5.425 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.563 8.485 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.115 8.243 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.691 9.291 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.199 7.616 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.532 6.402 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.676 5.700 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.140 6.111 2.971 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.020 7.829 3.890 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.355 7.357 3.545 1.00 0.00 C ATOM 1513 C GLN A 101 -7.324 5.890 3.129 1.00 0.00 C ATOM 1514 O GLN A 101 -6.270 5.353 2.791 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.943 8.206 2.416 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.333 7.766 1.984 1.00 0.00 C ATOM 1517 CD GLN A 101 -10.087 8.856 1.247 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.146 10.000 1.699 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.668 8.505 0.106 1.00 0.00 N ATOM 0 H GLN A 101 -5.704 8.635 3.350 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.986 7.452 4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.984 9.246 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.274 8.165 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.249 6.889 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.904 7.464 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.593 7.545 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.190 9.195 -0.434 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.487 5.246 3.158 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.570 3.847 2.783 1.00 0.00 C ATOM 1530 C GLY A 102 -7.332 3.066 3.176 1.00 0.00 C ATOM 1531 O GLY A 102 -6.765 2.337 2.363 1.00 0.00 O ATOM 0 H GLY A 102 -9.373 5.669 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.444 3.399 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.717 3.771 1.706 1.00 0.00 H new ATOM 1535 N SER A 103 -6.910 3.221 4.427 1.00 0.00 N ATOM 1536 CA SER A 103 -5.727 2.529 4.925 1.00 0.00 C ATOM 1537 C SER A 103 -5.670 2.579 6.449 1.00 0.00 C ATOM 1538 O SER A 103 -5.943 3.605 7.073 1.00 0.00 O ATOM 1539 CB SER A 103 -4.460 3.151 4.336 1.00 0.00 C ATOM 1540 OG SER A 103 -3.376 3.061 5.245 1.00 0.00 O ATOM 0 H SER A 103 -7.369 3.819 5.114 1.00 0.00 H new ATOM 0 HA SER A 103 -5.789 1.486 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.201 2.645 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.645 4.196 4.089 1.00 0.00 H new ATOM 0 HG SER A 103 -2.797 3.845 5.142 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.306 1.444 7.064 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.979 0.217 6.333 1.00 0.00 C ATOM 1548 C PRO A 104 -6.205 -0.414 5.681 1.00 0.00 C ATOM 1549 O PRO A 104 -7.336 0.000 5.934 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.417 -0.704 7.418 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.030 -0.215 8.685 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.186 1.272 8.522 1.00 0.00 C ATOM 0 HA PRO A 104 -4.286 0.404 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.678 -1.745 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.329 -0.651 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.994 -0.692 8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.397 -0.450 9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.068 1.643 9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.328 1.812 8.921 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.973 -1.418 4.842 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.059 -2.106 4.154 1.00 0.00 C ATOM 1562 C PHE A 105 -6.771 -3.600 4.040 1.00 0.00 C ATOM 1563 O PHE A 105 -5.705 -4.071 4.439 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.268 -1.507 2.761 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.020 -1.482 1.926 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.641 -2.594 1.191 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.227 -0.348 1.876 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.493 -2.574 0.420 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.079 -0.322 1.107 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.711 -1.437 0.379 1.00 0.00 C ATOM 0 H PHE A 105 -5.043 -1.773 4.622 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.969 -1.974 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.034 -2.081 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.647 -0.490 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.249 -3.486 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.509 0.526 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.209 -3.447 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.470 0.569 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.813 -1.419 -0.221 1.00 0.00 H new ATOM 1580 N THR A 106 -7.729 -4.341 3.492 1.00 0.00 N ATOM 1581 CA THR A 106 -7.580 -5.781 3.327 1.00 0.00 C ATOM 1582 C THR A 106 -7.245 -6.137 1.883 1.00 0.00 C ATOM 1583 O THR A 106 -7.528 -5.370 0.962 1.00 0.00 O ATOM 1584 CB THR A 106 -8.860 -6.530 3.744 1.00 0.00 C ATOM 1585 OG1 THR A 106 -10.012 -5.731 3.453 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.831 -6.864 5.228 1.00 0.00 C ATOM 0 H THR A 106 -8.616 -3.967 3.155 1.00 0.00 H new ATOM 0 HA THR A 106 -6.760 -6.090 3.975 1.00 0.00 H new ATOM 0 HB THR A 106 -8.911 -7.460 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.821 -6.215 3.719 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.745 -7.393 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.969 -7.496 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.759 -5.943 5.807 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.642 -7.306 1.690 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.270 -7.764 0.357 1.00 0.00 C ATOM 1596 C VAL A 107 -6.341 -9.284 0.259 1.00 0.00 C ATOM 1597 O VAL A 107 -5.643 -9.998 0.981 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.850 -7.302 -0.020 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.361 -8.034 -1.260 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.819 -5.796 -0.233 1.00 0.00 C ATOM 0 H VAL A 107 -6.401 -7.953 2.441 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.984 -7.324 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.178 -7.544 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.356 -7.694 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.343 -9.106 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.032 -7.827 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.808 -5.487 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.504 -5.528 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.123 -5.292 0.685 1.00 0.00 H new ATOM 1610 N THR A 108 -7.188 -9.775 -0.640 1.00 0.00 N ATOM 1611 CA THR A 108 -7.351 -11.210 -0.833 1.00 0.00 C ATOM 1612 C THR A 108 -6.280 -11.765 -1.766 1.00 0.00 C ATOM 1613 O THR A 108 -6.185 -11.364 -2.926 1.00 0.00 O ATOM 1614 CB THR A 108 -8.740 -11.546 -1.408 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.763 -11.044 -0.541 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.906 -13.048 -1.580 1.00 0.00 C ATOM 0 H THR A 108 -7.772 -9.199 -1.246 1.00 0.00 H new ATOM 0 HA THR A 108 -7.250 -11.674 0.148 1.00 0.00 H new ATOM 0 HB THR A 108 -8.828 -11.073 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.643 -11.260 -0.914 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.894 -13.261 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.144 -13.422 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.799 -13.539 -0.613 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.476 -12.690 -1.252 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.412 -13.301 -2.040 1.00 0.00 C ATOM 1626 C VAL A 109 -4.835 -14.667 -2.568 1.00 0.00 C ATOM 1627 O VAL A 109 -4.941 -15.631 -1.810 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.121 -13.459 -1.214 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.023 -14.090 -2.056 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.675 -12.114 -0.661 1.00 0.00 C ATOM 0 H VAL A 109 -5.541 -13.033 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.217 -12.634 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.326 -14.121 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.119 -14.194 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.346 -15.073 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.816 -13.456 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.762 -12.244 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.486 -11.426 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.457 -11.706 -0.021 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.075 -14.743 -3.873 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.487 -15.992 -4.503 1.00 0.00 C ATOM 1642 C ARG A 110 -4.411 -17.062 -4.345 1.00 0.00 C ATOM 1643 O ARG A 110 -3.376 -16.827 -3.721 1.00 0.00 O ATOM 1644 CB ARG A 110 -5.783 -15.766 -5.986 1.00 0.00 C ATOM 1645 CG ARG A 110 -6.998 -14.887 -6.238 1.00 0.00 C ATOM 1646 CD ARG A 110 -7.684 -15.248 -7.547 1.00 0.00 C ATOM 1647 NE ARG A 110 -8.600 -16.375 -7.392 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.514 -16.709 -8.296 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -9.633 -16.006 -9.414 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.311 -17.748 -8.083 1.00 0.00 N ATOM 0 H ARG A 110 -4.991 -13.955 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.394 -16.338 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.912 -15.310 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.937 -16.731 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.704 -14.995 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.693 -13.841 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.233 -14.383 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.931 -15.493 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.534 -16.936 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.022 -15.207 -9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.336 -16.265 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.222 -18.291 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.013 -18.004 -8.778 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.664 -18.236 -4.913 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.717 -19.342 -4.834 1.00 0.00 C ATOM 1666 C ARG A 111 -3.016 -19.555 -6.173 1.00 0.00 C ATOM 1667 O ARG A 111 -3.603 -19.342 -7.234 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.435 -20.626 -4.413 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.554 -20.790 -2.906 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.027 -22.187 -2.535 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.483 -22.270 -2.459 1.00 0.00 N ATOM 1672 CZ ARG A 111 -7.187 -21.879 -1.402 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -6.572 -21.380 -0.339 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.510 -21.986 -1.409 1.00 0.00 N ATOM 0 H ARG A 111 -5.516 -18.446 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.965 -19.091 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.433 -20.635 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.900 -21.483 -4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.588 -20.596 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.252 -20.051 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.661 -22.901 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.597 -22.472 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.987 -22.649 -3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.556 -21.295 -0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.115 -21.081 0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.986 -22.368 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.050 -21.686 -0.598 1.00 0.00 H new