USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 Single : A 5 THR OG1 : rot 27:sc= 0.516 USER MOD Single : A 7 GLN : amide:sc=-0.000718 X(o=-0.00072,f=-0.04) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.952 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0781 X(o=-0.078,f=-0.24) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.327 X(o=-0.33,f=0.047) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 89:sc= 0.695 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 160:sc= -0.204 USER MOD Single : A 62 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.34) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 90:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.822 -7.321 -5.605 1.00 22.20 N ATOM 60 CA THR A 5 8.503 -6.701 -5.602 1.00 63.30 C ATOM 61 C THR A 5 8.037 -6.420 -4.176 1.00 22.10 C ATOM 62 O THR A 5 7.308 -5.459 -3.929 1.00 1.31 O ATOM 63 CB THR A 5 7.491 -7.603 -6.311 1.00 3.24 C ATOM 64 OG1 THR A 5 8.114 -8.333 -7.352 1.00 21.10 O ATOM 65 CG2 THR A 5 6.331 -6.841 -6.914 1.00 42.10 C ATOM 0 HA THR A 5 8.573 -5.754 -6.136 1.00 63.30 H new ATOM 0 HB THR A 5 7.105 -8.268 -5.539 1.00 3.24 H new ATOM 0 HG1 THR A 5 9.066 -8.445 -7.149 1.00 21.10 H new ATOM 0 HG21 THR A 5 5.651 -7.540 -7.401 1.00 42.10 H new ATOM 0 HG22 THR A 5 5.799 -6.306 -6.127 1.00 42.10 H new ATOM 0 HG23 THR A 5 6.706 -6.128 -7.648 1.00 42.10 H new ATOM 73 N LEU A 6 8.464 -7.263 -3.242 1.00 62.40 N ATOM 74 CA LEU A 6 8.091 -7.105 -1.841 1.00 22.40 C ATOM 75 C LEU A 6 8.788 -5.895 -1.226 1.00 21.30 C ATOM 76 O LEU A 6 8.229 -5.218 -0.363 1.00 15.20 O ATOM 77 CB LEU A 6 8.446 -8.367 -1.053 1.00 51.10 C ATOM 78 CG LEU A 6 7.366 -9.450 -1.044 1.00 71.20 C ATOM 79 CD1 LEU A 6 6.122 -8.959 -0.321 1.00 42.10 C ATOM 80 CD2 LEU A 6 7.026 -9.873 -2.467 1.00 14.20 C ATOM 0 H LEU A 6 9.069 -8.063 -3.430 1.00 62.40 H new ATOM 0 HA LEU A 6 7.014 -6.945 -1.793 1.00 22.40 H new ATOM 0 HB2 LEU A 6 9.360 -8.791 -1.468 1.00 51.10 H new ATOM 0 HB3 LEU A 6 8.664 -8.084 -0.023 1.00 51.10 H new ATOM 0 HG LEU A 6 7.752 -10.317 -0.509 1.00 71.20 H new ATOM 0 HD11 LEU A 6 5.365 -9.743 -0.325 1.00 42.10 H new ATOM 0 HD12 LEU A 6 6.376 -8.705 0.708 1.00 42.10 H new ATOM 0 HD13 LEU A 6 5.732 -8.076 -0.827 1.00 42.10 H new ATOM 0 HD21 LEU A 6 6.256 -10.644 -2.443 1.00 14.20 H new ATOM 0 HD22 LEU A 6 6.659 -9.011 -3.025 1.00 14.20 H new ATOM 0 HD23 LEU A 6 7.919 -10.267 -2.953 1.00 14.20 H new ATOM 92 N GLN A 7 10.009 -5.629 -1.676 1.00 61.20 N ATOM 93 CA GLN A 7 10.781 -4.500 -1.170 1.00 65.40 C ATOM 94 C GLN A 7 10.210 -3.178 -1.674 1.00 72.10 C ATOM 95 O GLN A 7 10.228 -2.172 -0.966 1.00 52.20 O ATOM 96 CB GLN A 7 12.247 -4.629 -1.591 1.00 1.41 C ATOM 97 CG GLN A 7 13.200 -3.813 -0.732 1.00 64.40 C ATOM 98 CD GLN A 7 13.745 -4.601 0.443 1.00 53.40 C ATOM 99 OE1 GLN A 7 14.396 -5.631 0.266 1.00 75.30 O ATOM 100 NE2 GLN A 7 13.481 -4.119 1.652 1.00 71.20 N ATOM 0 H GLN A 7 10.486 -6.180 -2.390 1.00 61.20 H new ATOM 0 HA GLN A 7 10.719 -4.509 -0.082 1.00 65.40 H new ATOM 0 HB2 GLN A 7 12.538 -5.678 -1.546 1.00 1.41 H new ATOM 0 HB3 GLN A 7 12.347 -4.314 -2.630 1.00 1.41 H new ATOM 0 HG2 GLN A 7 14.030 -3.464 -1.347 1.00 64.40 H new ATOM 0 HG3 GLN A 7 12.683 -2.928 -0.362 1.00 64.40 H new ATOM 0 HE21 GLN A 7 12.937 -3.262 1.752 1.00 71.20 H new ATOM 0 HE22 GLN A 7 13.822 -4.606 2.481 1.00 71.20 H new ATOM 109 N LYS A 8 9.702 -3.189 -2.902 1.00 42.30 N ATOM 110 CA LYS A 8 9.125 -1.991 -3.501 1.00 74.10 C ATOM 111 C LYS A 8 7.803 -1.630 -2.832 1.00 22.10 C ATOM 112 O LYS A 8 7.520 -0.457 -2.587 1.00 4.33 O ATOM 113 CB LYS A 8 8.911 -2.199 -5.002 1.00 21.30 C ATOM 114 CG LYS A 8 10.157 -1.946 -5.836 1.00 44.40 C ATOM 115 CD LYS A 8 9.834 -1.902 -7.320 1.00 50.20 C ATOM 116 CE LYS A 8 10.946 -1.237 -8.113 1.00 14.20 C ATOM 117 NZ LYS A 8 10.625 0.180 -8.441 1.00 64.30 N ATOM 0 H LYS A 8 9.678 -4.014 -3.502 1.00 42.30 H new ATOM 0 HA LYS A 8 9.823 -1.168 -3.351 1.00 74.10 H new ATOM 0 HB2 LYS A 8 8.570 -3.220 -5.174 1.00 21.30 H new ATOM 0 HB3 LYS A 8 8.116 -1.536 -5.342 1.00 21.30 H new ATOM 0 HG2 LYS A 8 10.613 -1.003 -5.534 1.00 44.40 H new ATOM 0 HG3 LYS A 8 10.889 -2.730 -5.645 1.00 44.40 H new ATOM 0 HD2 LYS A 8 9.678 -2.916 -7.690 1.00 50.20 H new ATOM 0 HD3 LYS A 8 8.901 -1.360 -7.474 1.00 50.20 H new ATOM 0 HE2 LYS A 8 11.873 -1.276 -7.541 1.00 14.20 H new ATOM 0 HE3 LYS A 8 11.117 -1.793 -9.035 1.00 14.20 H new ATOM 0 HZ1 LYS A 8 11.409 0.597 -8.982 1.00 64.30 H new ATOM 0 HZ2 LYS A 8 9.754 0.216 -9.009 1.00 64.30 H new ATOM 0 HZ3 LYS A 8 10.487 0.717 -7.561 1.00 64.30 H new ATOM 131 N ALA A 9 6.997 -2.645 -2.538 1.00 2.41 N ATOM 132 CA ALA A 9 5.705 -2.434 -1.898 1.00 72.30 C ATOM 133 C ALA A 9 5.867 -1.754 -0.543 1.00 23.10 C ATOM 134 O ALA A 9 5.079 -0.883 -0.176 1.00 51.20 O ATOM 135 CB ALA A 9 4.971 -3.758 -1.742 1.00 40.20 C ATOM 0 H ALA A 9 7.216 -3.622 -2.733 1.00 2.41 H new ATOM 0 HA ALA A 9 5.115 -1.776 -2.536 1.00 72.30 H new ATOM 0 HB1 ALA A 9 4.007 -3.586 -1.262 1.00 40.20 H new ATOM 0 HB2 ALA A 9 4.813 -4.204 -2.724 1.00 40.20 H new ATOM 0 HB3 ALA A 9 5.566 -4.434 -1.128 1.00 40.20 H new ATOM 141 N ILE A 10 6.895 -2.158 0.197 1.00 55.00 N ATOM 142 CA ILE A 10 7.160 -1.587 1.511 1.00 63.20 C ATOM 143 C ILE A 10 7.583 -0.125 1.400 1.00 10.10 C ATOM 144 O ILE A 10 7.319 0.678 2.294 1.00 72.10 O ATOM 145 CB ILE A 10 8.259 -2.371 2.255 1.00 54.20 C ATOM 146 CG1 ILE A 10 7.933 -3.865 2.269 1.00 45.40 C ATOM 147 CG2 ILE A 10 8.418 -1.847 3.676 1.00 74.20 C ATOM 148 CD1 ILE A 10 9.161 -4.750 2.295 1.00 31.40 C ATOM 0 H ILE A 10 7.557 -2.878 -0.092 1.00 55.00 H new ATOM 0 HA ILE A 10 6.231 -1.653 2.077 1.00 63.20 H new ATOM 0 HB ILE A 10 9.202 -2.228 1.728 1.00 54.20 H new ATOM 0 HG12 ILE A 10 7.317 -4.086 3.140 1.00 45.40 H new ATOM 0 HG13 ILE A 10 7.338 -4.108 1.388 1.00 45.40 H new ATOM 0 HG21 ILE A 10 9.198 -2.412 4.187 1.00 74.20 H new ATOM 0 HG22 ILE A 10 8.694 -0.793 3.646 1.00 74.20 H new ATOM 0 HG23 ILE A 10 7.476 -1.961 4.213 1.00 74.20 H new ATOM 0 HD11 ILE A 10 8.855 -5.796 2.304 1.00 31.40 H new ATOM 0 HD12 ILE A 10 9.768 -4.557 1.410 1.00 31.40 H new ATOM 0 HD13 ILE A 10 9.745 -4.535 3.190 1.00 31.40 H new ATOM 160 N ASP A 11 8.239 0.213 0.295 1.00 4.15 N ATOM 161 CA ASP A 11 8.700 1.577 0.066 1.00 33.40 C ATOM 162 C ASP A 11 7.520 2.530 -0.112 1.00 52.30 C ATOM 163 O ASP A 11 7.608 3.710 0.227 1.00 42.30 O ATOM 164 CB ASP A 11 9.607 1.630 -1.168 1.00 21.30 C ATOM 165 CG ASP A 11 11.042 1.963 -0.814 1.00 11.40 C ATOM 166 OD1 ASP A 11 11.363 3.166 -0.702 1.00 61.20 O ATOM 167 OD2 ASP A 11 11.848 1.023 -0.650 1.00 72.10 O ATOM 0 H ASP A 11 8.463 -0.439 -0.456 1.00 4.15 H new ATOM 0 HA ASP A 11 9.268 1.894 0.941 1.00 33.40 H new ATOM 0 HB2 ASP A 11 9.575 0.669 -1.681 1.00 21.30 H new ATOM 0 HB3 ASP A 11 9.225 2.376 -1.865 1.00 21.30 H new ATOM 172 N LEU A 12 6.419 2.011 -0.645 1.00 14.40 N ATOM 173 CA LEU A 12 5.225 2.817 -0.868 1.00 22.30 C ATOM 174 C LEU A 12 4.476 3.057 0.440 1.00 71.40 C ATOM 175 O LEU A 12 3.834 4.092 0.618 1.00 43.10 O ATOM 176 CB LEU A 12 4.302 2.132 -1.878 1.00 61.10 C ATOM 177 CG LEU A 12 4.604 2.446 -3.345 1.00 15.30 C ATOM 178 CD1 LEU A 12 4.366 3.919 -3.636 1.00 51.20 C ATOM 179 CD2 LEU A 12 6.033 2.056 -3.690 1.00 72.20 C ATOM 0 H LEU A 12 6.329 1.036 -0.930 1.00 14.40 H new ATOM 0 HA LEU A 12 5.539 3.781 -1.268 1.00 22.30 H new ATOM 0 HB2 LEU A 12 4.365 1.054 -1.732 1.00 61.10 H new ATOM 0 HB3 LEU A 12 3.274 2.423 -1.664 1.00 61.10 H new ATOM 0 HG LEU A 12 3.928 1.861 -3.968 1.00 15.30 H new ATOM 0 HD11 LEU A 12 4.586 4.123 -4.684 1.00 51.20 H new ATOM 0 HD12 LEU A 12 3.325 4.167 -3.429 1.00 51.20 H new ATOM 0 HD13 LEU A 12 5.016 4.524 -3.004 1.00 51.20 H new ATOM 0 HD21 LEU A 12 6.230 2.286 -4.737 1.00 72.20 H new ATOM 0 HD22 LEU A 12 6.725 2.614 -3.059 1.00 72.20 H new ATOM 0 HD23 LEU A 12 6.169 0.988 -3.522 1.00 72.20 H new ATOM 191 N VAL A 13 4.563 2.094 1.352 1.00 45.10 N ATOM 192 CA VAL A 13 3.893 2.201 2.642 1.00 61.40 C ATOM 193 C VAL A 13 4.636 3.157 3.570 1.00 74.30 C ATOM 194 O VAL A 13 4.029 3.818 4.413 1.00 71.30 O ATOM 195 CB VAL A 13 3.772 0.828 3.328 1.00 75.30 C ATOM 196 CG1 VAL A 13 2.924 0.930 4.587 1.00 51.10 C ATOM 197 CG2 VAL A 13 3.191 -0.199 2.367 1.00 12.40 C ATOM 0 H VAL A 13 5.091 1.231 1.221 1.00 45.10 H new ATOM 0 HA VAL A 13 2.894 2.591 2.448 1.00 61.40 H new ATOM 0 HB VAL A 13 4.770 0.499 3.617 1.00 75.30 H new ATOM 0 HG11 VAL A 13 2.851 -0.051 5.057 1.00 51.10 H new ATOM 0 HG12 VAL A 13 3.387 1.631 5.281 1.00 51.10 H new ATOM 0 HG13 VAL A 13 1.926 1.283 4.326 1.00 51.10 H new ATOM 0 HG21 VAL A 13 3.113 -1.163 2.869 1.00 12.40 H new ATOM 0 HG22 VAL A 13 2.201 0.124 2.044 1.00 12.40 H new ATOM 0 HG23 VAL A 13 3.843 -0.294 1.498 1.00 12.40 H new ATOM 207 N THR A 14 5.953 3.226 3.408 1.00 50.30 N ATOM 208 CA THR A 14 6.780 4.101 4.231 1.00 44.00 C ATOM 209 C THR A 14 6.634 5.556 3.795 1.00 3.41 C ATOM 210 O THR A 14 6.676 6.468 4.620 1.00 43.30 O ATOM 211 CB THR A 14 8.247 3.676 4.150 1.00 45.10 C ATOM 212 OG1 THR A 14 8.379 2.284 4.373 1.00 74.10 O ATOM 213 CG2 THR A 14 9.133 4.389 5.148 1.00 31.00 C ATOM 0 H THR A 14 6.471 2.686 2.714 1.00 50.30 H new ATOM 0 HA THR A 14 6.441 4.014 5.263 1.00 44.00 H new ATOM 0 HB THR A 14 8.571 3.946 3.145 1.00 45.10 H new ATOM 0 HG1 THR A 14 8.020 1.794 3.604 1.00 74.10 H new ATOM 0 HG21 THR A 14 10.160 4.041 5.037 1.00 31.00 H new ATOM 0 HG22 THR A 14 9.093 5.463 4.968 1.00 31.00 H new ATOM 0 HG23 THR A 14 8.786 4.177 6.159 1.00 31.00 H new ATOM 221 N LYS A 15 6.464 5.764 2.494 1.00 12.20 N ATOM 222 CA LYS A 15 6.312 7.107 1.947 1.00 74.20 C ATOM 223 C LYS A 15 4.941 7.683 2.288 1.00 15.10 C ATOM 224 O LYS A 15 4.784 8.896 2.430 1.00 64.30 O ATOM 225 CB LYS A 15 6.506 7.088 0.430 1.00 20.10 C ATOM 226 CG LYS A 15 7.212 8.322 -0.109 1.00 2.13 C ATOM 227 CD LYS A 15 7.917 8.030 -1.424 1.00 34.50 C ATOM 228 CE LYS A 15 9.052 9.009 -1.678 1.00 15.20 C ATOM 229 NZ LYS A 15 8.662 10.074 -2.643 1.00 23.00 N ATOM 0 H LYS A 15 6.428 5.019 1.798 1.00 12.20 H new ATOM 0 HA LYS A 15 7.075 7.743 2.396 1.00 74.20 H new ATOM 0 HB2 LYS A 15 7.080 6.203 0.157 1.00 20.10 H new ATOM 0 HB3 LYS A 15 5.532 6.998 -0.051 1.00 20.10 H new ATOM 0 HG2 LYS A 15 6.487 9.123 -0.253 1.00 2.13 H new ATOM 0 HG3 LYS A 15 7.937 8.677 0.623 1.00 2.13 H new ATOM 0 HD2 LYS A 15 8.309 7.013 -1.410 1.00 34.50 H new ATOM 0 HD3 LYS A 15 7.199 8.084 -2.242 1.00 34.50 H new ATOM 0 HE2 LYS A 15 9.355 9.466 -0.736 1.00 15.20 H new ATOM 0 HE3 LYS A 15 9.917 8.469 -2.063 1.00 15.20 H new ATOM 0 HZ1 LYS A 15 9.463 10.721 -2.789 1.00 23.00 H new ATOM 0 HZ2 LYS A 15 8.397 9.640 -3.550 1.00 23.00 H new ATOM 0 HZ3 LYS A 15 7.852 10.606 -2.264 1.00 23.00 H new ATOM 243 N ALA A 16 3.950 6.807 2.416 1.00 32.50 N ATOM 244 CA ALA A 16 2.592 7.229 2.740 1.00 72.20 C ATOM 245 C ALA A 16 2.468 7.614 4.210 1.00 22.10 C ATOM 246 O ALA A 16 1.875 8.640 4.545 1.00 22.30 O ATOM 247 CB ALA A 16 1.601 6.126 2.396 1.00 42.30 C ATOM 0 H ALA A 16 4.062 5.800 2.300 1.00 32.50 H new ATOM 0 HA ALA A 16 2.362 8.111 2.142 1.00 72.20 H new ATOM 0 HB1 ALA A 16 0.591 6.454 2.643 1.00 42.30 H new ATOM 0 HB2 ALA A 16 1.660 5.903 1.331 1.00 42.30 H new ATOM 0 HB3 ALA A 16 1.841 5.230 2.968 1.00 42.30 H new ATOM 253 N THR A 17 3.029 6.784 5.084 1.00 63.40 N ATOM 254 CA THR A 17 2.980 7.039 6.520 1.00 21.20 C ATOM 255 C THR A 17 3.608 8.387 6.859 1.00 5.15 C ATOM 256 O THR A 17 3.068 9.151 7.659 1.00 30.30 O ATOM 257 CB THR A 17 3.697 5.923 7.282 1.00 42.30 C ATOM 258 OG1 THR A 17 3.755 6.218 8.666 1.00 42.30 O ATOM 259 CG2 THR A 17 5.112 5.684 6.804 1.00 40.30 C ATOM 0 H THR A 17 3.522 5.930 4.824 1.00 63.40 H new ATOM 0 HA THR A 17 1.933 7.062 6.822 1.00 21.20 H new ATOM 0 HB THR A 17 3.111 5.023 7.094 1.00 42.30 H new ATOM 0 HG1 THR A 17 4.216 5.492 9.136 1.00 42.30 H new ATOM 0 HG21 THR A 17 5.562 4.880 7.387 1.00 40.30 H new ATOM 0 HG22 THR A 17 5.098 5.405 5.751 1.00 40.30 H new ATOM 0 HG23 THR A 17 5.697 6.595 6.930 1.00 40.30 H new ATOM 267 N GLU A 18 4.753 8.672 6.246 1.00 33.20 N ATOM 268 CA GLU A 18 5.454 9.928 6.484 1.00 53.30 C ATOM 269 C GLU A 18 4.664 11.108 5.924 1.00 45.10 C ATOM 270 O GLU A 18 4.710 12.212 6.468 1.00 24.10 O ATOM 271 CB GLU A 18 6.847 9.886 5.854 1.00 35.00 C ATOM 272 CG GLU A 18 6.827 9.662 4.350 1.00 42.20 C ATOM 273 CD GLU A 18 8.217 9.466 3.773 1.00 62.00 C ATOM 274 OE1 GLU A 18 8.724 8.326 3.822 1.00 63.10 O ATOM 275 OE2 GLU A 18 8.795 10.453 3.271 1.00 73.40 O ATOM 0 H GLU A 18 5.214 8.050 5.582 1.00 33.20 H new ATOM 0 HA GLU A 18 5.554 10.061 7.561 1.00 53.30 H new ATOM 0 HB2 GLU A 18 7.362 10.823 6.067 1.00 35.00 H new ATOM 0 HB3 GLU A 18 7.426 9.091 6.324 1.00 35.00 H new ATOM 0 HG2 GLU A 18 6.217 8.787 4.124 1.00 42.20 H new ATOM 0 HG3 GLU A 18 6.353 10.515 3.865 1.00 42.20 H new ATOM 282 N GLU A 19 3.943 10.867 4.834 1.00 41.50 N ATOM 283 CA GLU A 19 3.145 11.910 4.201 1.00 41.30 C ATOM 284 C GLU A 19 1.868 12.176 4.992 1.00 43.50 C ATOM 285 O GLU A 19 1.435 13.321 5.123 1.00 3.25 O ATOM 286 CB GLU A 19 2.798 11.513 2.765 1.00 41.50 C ATOM 287 CG GLU A 19 3.926 11.754 1.776 1.00 22.00 C ATOM 288 CD GLU A 19 4.075 13.217 1.405 1.00 54.10 C ATOM 289 OE1 GLU A 19 4.569 13.996 2.248 1.00 65.00 O ATOM 290 OE2 GLU A 19 3.698 13.584 0.273 1.00 1.44 O ATOM 0 H GLU A 19 3.895 9.959 4.371 1.00 41.50 H new ATOM 0 HA GLU A 19 3.736 12.826 4.185 1.00 41.30 H new ATOM 0 HB2 GLU A 19 2.528 10.457 2.744 1.00 41.50 H new ATOM 0 HB3 GLU A 19 1.920 12.073 2.445 1.00 41.50 H new ATOM 0 HG2 GLU A 19 4.862 11.394 2.204 1.00 22.00 H new ATOM 0 HG3 GLU A 19 3.743 11.171 0.873 1.00 22.00 H new ATOM 297 N ASP A 20 1.271 11.112 5.519 1.00 73.30 N ATOM 298 CA ASP A 20 0.042 11.231 6.298 1.00 1.52 C ATOM 299 C ASP A 20 0.213 12.231 7.439 1.00 53.30 C ATOM 300 O ASP A 20 -0.634 13.101 7.648 1.00 33.40 O ATOM 301 CB ASP A 20 -0.365 9.868 6.859 1.00 22.40 C ATOM 302 CG ASP A 20 -1.866 9.653 6.826 1.00 41.50 C ATOM 303 OD1 ASP A 20 -2.439 9.640 5.716 1.00 1.22 O ATOM 304 OD2 ASP A 20 -2.468 9.499 7.910 1.00 52.10 O ATOM 0 H ASP A 20 1.618 10.158 5.421 1.00 73.30 H new ATOM 0 HA ASP A 20 -0.743 11.594 5.635 1.00 1.52 H new ATOM 0 HB2 ASP A 20 0.125 9.081 6.285 1.00 22.40 H new ATOM 0 HB3 ASP A 20 -0.011 9.781 7.886 1.00 22.40 H new ATOM 309 N LYS A 21 1.314 12.103 8.171 1.00 14.50 N ATOM 310 CA LYS A 21 1.597 12.995 9.290 1.00 15.20 C ATOM 311 C LYS A 21 2.057 14.367 8.799 1.00 40.10 C ATOM 312 O LYS A 21 2.039 15.341 9.551 1.00 52.40 O ATOM 313 CB LYS A 21 2.663 12.383 10.200 1.00 25.20 C ATOM 314 CG LYS A 21 3.999 12.160 9.509 1.00 73.20 C ATOM 315 CD LYS A 21 4.821 11.095 10.217 1.00 32.00 C ATOM 316 CE LYS A 21 5.452 11.634 11.491 1.00 42.00 C ATOM 317 NZ LYS A 21 6.862 12.062 11.273 1.00 3.24 N ATOM 0 H LYS A 21 2.025 11.390 8.010 1.00 14.50 H new ATOM 0 HA LYS A 21 0.675 13.126 9.856 1.00 15.20 H new ATOM 0 HB2 LYS A 21 2.813 13.036 11.060 1.00 25.20 H new ATOM 0 HB3 LYS A 21 2.298 11.430 10.583 1.00 25.20 H new ATOM 0 HG2 LYS A 21 3.829 11.862 8.474 1.00 73.20 H new ATOM 0 HG3 LYS A 21 4.558 13.096 9.484 1.00 73.20 H new ATOM 0 HD2 LYS A 21 4.185 10.243 10.457 1.00 32.00 H new ATOM 0 HD3 LYS A 21 5.602 10.732 9.548 1.00 32.00 H new ATOM 0 HE2 LYS A 21 4.868 12.479 11.856 1.00 42.00 H new ATOM 0 HE3 LYS A 21 5.421 10.867 12.265 1.00 42.00 H new ATOM 0 HZ1 LYS A 21 7.257 12.423 12.165 1.00 3.24 H new ATOM 0 HZ2 LYS A 21 7.425 11.250 10.949 1.00 3.24 H new ATOM 0 HZ3 LYS A 21 6.890 12.812 10.553 1.00 3.24 H new ATOM 331 N ALA A 22 2.471 14.438 7.536 1.00 3.33 N ATOM 332 CA ALA A 22 2.936 15.693 6.955 1.00 52.20 C ATOM 333 C ALA A 22 1.813 16.415 6.213 1.00 44.40 C ATOM 334 O ALA A 22 2.068 17.218 5.316 1.00 41.00 O ATOM 335 CB ALA A 22 4.108 15.436 6.020 1.00 0.44 C ATOM 0 H ALA A 22 2.494 13.643 6.897 1.00 3.33 H new ATOM 0 HA ALA A 22 3.265 16.338 7.770 1.00 52.20 H new ATOM 0 HB1 ALA A 22 4.446 16.380 5.593 1.00 0.44 H new ATOM 0 HB2 ALA A 22 4.924 14.977 6.578 1.00 0.44 H new ATOM 0 HB3 ALA A 22 3.794 14.767 5.219 1.00 0.44 H new ATOM 341 N LYS A 23 0.571 16.127 6.592 1.00 74.30 N ATOM 342 CA LYS A 23 -0.586 16.754 5.961 1.00 71.30 C ATOM 343 C LYS A 23 -0.588 16.516 4.453 1.00 64.50 C ATOM 344 O LYS A 23 -0.830 17.435 3.670 1.00 71.10 O ATOM 345 CB LYS A 23 -0.598 18.255 6.254 1.00 73.10 C ATOM 346 CG LYS A 23 -1.103 18.600 7.646 1.00 14.30 C ATOM 347 CD LYS A 23 -2.617 18.739 7.671 1.00 75.10 C ATOM 348 CE LYS A 23 -3.220 18.051 8.886 1.00 62.40 C ATOM 349 NZ LYS A 23 -4.539 18.636 9.257 1.00 11.10 N ATOM 0 H LYS A 23 0.340 15.464 7.332 1.00 74.30 H new ATOM 0 HA LYS A 23 -1.485 16.300 6.378 1.00 71.30 H new ATOM 0 HB2 LYS A 23 0.412 18.648 6.135 1.00 73.10 H new ATOM 0 HB3 LYS A 23 -1.224 18.756 5.515 1.00 73.10 H new ATOM 0 HG2 LYS A 23 -0.796 17.825 8.348 1.00 14.30 H new ATOM 0 HG3 LYS A 23 -0.646 19.531 7.980 1.00 14.30 H new ATOM 0 HD2 LYS A 23 -2.886 19.795 7.679 1.00 75.10 H new ATOM 0 HD3 LYS A 23 -3.038 18.309 6.762 1.00 75.10 H new ATOM 0 HE2 LYS A 23 -3.340 16.988 8.679 1.00 62.40 H new ATOM 0 HE3 LYS A 23 -2.535 18.137 9.729 1.00 62.40 H new ATOM 0 HZ1 LYS A 23 -4.917 18.140 10.089 1.00 11.10 H new ATOM 0 HZ2 LYS A 23 -4.421 19.645 9.479 1.00 11.10 H new ATOM 0 HZ3 LYS A 23 -5.201 18.532 8.462 1.00 11.10 H new ATOM 363 N ASN A 24 -0.316 15.278 4.054 1.00 53.30 N ATOM 364 CA ASN A 24 -0.288 14.920 2.640 1.00 44.30 C ATOM 365 C ASN A 24 -1.248 13.768 2.352 1.00 62.50 C ATOM 366 O ASN A 24 -0.897 12.809 1.665 1.00 23.30 O ATOM 367 CB ASN A 24 1.132 14.538 2.215 1.00 30.40 C ATOM 368 CG ASN A 24 1.975 15.749 1.866 1.00 13.20 C ATOM 369 OD1 ASN A 24 2.805 16.191 2.662 1.00 23.10 O ATOM 370 ND2 ASN A 24 1.766 16.292 0.673 1.00 3.32 N ATOM 0 H ASN A 24 -0.112 14.506 4.689 1.00 53.30 H new ATOM 0 HA ASN A 24 -0.608 15.788 2.064 1.00 44.30 H new ATOM 0 HB2 ASN A 24 1.613 13.984 3.021 1.00 30.40 H new ATOM 0 HB3 ASN A 24 1.084 13.871 1.354 1.00 30.40 H new ATOM 0 HD21 ASN A 24 2.304 17.109 0.383 1.00 3.32 H new ATOM 0 HD22 ASN A 24 1.068 15.892 0.046 1.00 3.32 H new ATOM 377 N TYR A 25 -2.463 13.871 2.886 1.00 4.12 N ATOM 378 CA TYR A 25 -3.477 12.839 2.691 1.00 62.40 C ATOM 379 C TYR A 25 -3.654 12.513 1.210 1.00 21.30 C ATOM 380 O TYR A 25 -3.837 11.353 0.838 1.00 1.10 O ATOM 381 CB TYR A 25 -4.813 13.292 3.285 1.00 14.20 C ATOM 382 CG TYR A 25 -4.841 13.279 4.797 1.00 52.40 C ATOM 383 CD1 TYR A 25 -4.273 14.315 5.529 1.00 34.30 C ATOM 384 CD2 TYR A 25 -5.435 12.233 5.491 1.00 3.13 C ATOM 385 CE1 TYR A 25 -4.297 14.306 6.911 1.00 62.10 C ATOM 386 CE2 TYR A 25 -5.463 12.218 6.872 1.00 31.40 C ATOM 387 CZ TYR A 25 -4.893 13.256 7.578 1.00 51.00 C ATOM 388 OH TYR A 25 -4.919 13.245 8.954 1.00 24.10 O ATOM 0 H TYR A 25 -2.769 14.659 3.457 1.00 4.12 H new ATOM 0 HA TYR A 25 -3.141 11.937 3.203 1.00 62.40 H new ATOM 0 HB2 TYR A 25 -5.033 14.301 2.935 1.00 14.20 H new ATOM 0 HB3 TYR A 25 -5.606 12.644 2.910 1.00 14.20 H new ATOM 0 HD1 TYR A 25 -3.806 15.139 5.010 1.00 34.30 H new ATOM 0 HD2 TYR A 25 -5.882 11.418 4.942 1.00 3.13 H new ATOM 0 HE1 TYR A 25 -3.851 15.118 7.466 1.00 62.10 H new ATOM 0 HE2 TYR A 25 -5.929 11.397 7.396 1.00 31.40 H new ATOM 0 HH TYR A 25 -5.376 12.436 9.266 1.00 24.10 H new ATOM 398 N GLU A 26 -3.595 13.541 0.371 1.00 43.30 N ATOM 399 CA GLU A 26 -3.747 13.362 -1.068 1.00 11.10 C ATOM 400 C GLU A 26 -2.645 12.463 -1.622 1.00 75.30 C ATOM 401 O GLU A 26 -2.911 11.547 -2.400 1.00 61.40 O ATOM 402 CB GLU A 26 -3.723 14.720 -1.777 1.00 74.30 C ATOM 403 CG GLU A 26 -5.101 15.221 -2.177 1.00 54.10 C ATOM 404 CD GLU A 26 -5.137 16.723 -2.381 1.00 60.30 C ATOM 405 OE1 GLU A 26 -5.173 17.458 -1.372 1.00 13.10 O ATOM 406 OE2 GLU A 26 -5.131 17.163 -3.550 1.00 22.10 O ATOM 0 H GLU A 26 -3.443 14.507 0.662 1.00 43.30 H new ATOM 0 HA GLU A 26 -4.708 12.882 -1.252 1.00 11.10 H new ATOM 0 HB2 GLU A 26 -3.254 15.454 -1.122 1.00 74.30 H new ATOM 0 HB3 GLU A 26 -3.100 14.644 -2.668 1.00 74.30 H new ATOM 0 HG2 GLU A 26 -5.411 14.725 -3.097 1.00 54.10 H new ATOM 0 HG3 GLU A 26 -5.822 14.945 -1.407 1.00 54.10 H new ATOM 413 N GLU A 27 -1.410 12.733 -1.217 1.00 61.30 N ATOM 414 CA GLU A 27 -0.267 11.949 -1.671 1.00 51.10 C ATOM 415 C GLU A 27 -0.293 10.549 -1.066 1.00 62.30 C ATOM 416 O GLU A 27 0.039 9.568 -1.732 1.00 51.20 O ATOM 417 CB GLU A 27 1.040 12.653 -1.304 1.00 70.10 C ATOM 418 CG GLU A 27 2.197 12.307 -2.227 1.00 52.10 C ATOM 419 CD GLU A 27 2.532 13.429 -3.190 1.00 21.00 C ATOM 420 OE1 GLU A 27 1.879 13.516 -4.251 1.00 64.00 O ATOM 421 OE2 GLU A 27 3.447 14.222 -2.883 1.00 10.20 O ATOM 0 H GLU A 27 -1.174 13.489 -0.575 1.00 61.30 H new ATOM 0 HA GLU A 27 -0.329 11.857 -2.755 1.00 51.10 H new ATOM 0 HB2 GLU A 27 0.880 13.731 -1.324 1.00 70.10 H new ATOM 0 HB3 GLU A 27 1.310 12.389 -0.282 1.00 70.10 H new ATOM 0 HG2 GLU A 27 3.077 12.073 -1.628 1.00 52.10 H new ATOM 0 HG3 GLU A 27 1.949 11.409 -2.793 1.00 52.10 H new ATOM 428 N ALA A 28 -0.687 10.465 0.200 1.00 0.25 N ATOM 429 CA ALA A 28 -0.755 9.185 0.896 1.00 65.50 C ATOM 430 C ALA A 28 -1.703 8.225 0.187 1.00 3.22 C ATOM 431 O ALA A 28 -1.492 7.012 0.189 1.00 62.10 O ATOM 432 CB ALA A 28 -1.192 9.392 2.338 1.00 70.30 C ATOM 0 H ALA A 28 -0.964 11.268 0.765 1.00 0.25 H new ATOM 0 HA ALA A 28 0.241 8.742 0.889 1.00 65.50 H new ATOM 0 HB1 ALA A 28 -1.239 8.429 2.846 1.00 70.30 H new ATOM 0 HB2 ALA A 28 -0.475 10.036 2.847 1.00 70.30 H new ATOM 0 HB3 ALA A 28 -2.176 9.860 2.356 1.00 70.30 H new ATOM 438 N LEU A 29 -2.749 8.777 -0.420 1.00 1.52 N ATOM 439 CA LEU A 29 -3.732 7.972 -1.135 1.00 34.30 C ATOM 440 C LEU A 29 -3.095 7.269 -2.330 1.00 51.40 C ATOM 441 O LEU A 29 -3.274 6.067 -2.523 1.00 72.10 O ATOM 442 CB LEU A 29 -4.894 8.848 -1.606 1.00 14.20 C ATOM 443 CG LEU A 29 -6.111 8.083 -2.129 1.00 35.50 C ATOM 444 CD1 LEU A 29 -7.055 7.739 -0.987 1.00 4.42 C ATOM 445 CD2 LEU A 29 -6.832 8.896 -3.194 1.00 42.40 C ATOM 0 H LEU A 29 -2.937 9.779 -0.431 1.00 1.52 H new ATOM 0 HA LEU A 29 -4.111 7.214 -0.449 1.00 34.30 H new ATOM 0 HB2 LEU A 29 -5.211 9.481 -0.777 1.00 14.20 H new ATOM 0 HB3 LEU A 29 -4.534 9.510 -2.394 1.00 14.20 H new ATOM 0 HG LEU A 29 -5.767 7.153 -2.581 1.00 35.50 H new ATOM 0 HD11 LEU A 29 -7.915 7.195 -1.377 1.00 4.42 H new ATOM 0 HD12 LEU A 29 -6.533 7.119 -0.258 1.00 4.42 H new ATOM 0 HD13 LEU A 29 -7.394 8.657 -0.506 1.00 4.42 H new ATOM 0 HD21 LEU A 29 -7.695 8.338 -3.556 1.00 42.40 H new ATOM 0 HD22 LEU A 29 -7.165 9.842 -2.766 1.00 42.40 H new ATOM 0 HD23 LEU A 29 -6.153 9.092 -4.024 1.00 42.40 H new ATOM 457 N ARG A 30 -2.352 8.027 -3.129 1.00 64.00 N ATOM 458 CA ARG A 30 -1.689 7.477 -4.306 1.00 53.40 C ATOM 459 C ARG A 30 -0.550 6.544 -3.907 1.00 53.20 C ATOM 460 O ARG A 30 -0.283 5.551 -4.584 1.00 74.30 O ATOM 461 CB ARG A 30 -1.152 8.606 -5.188 1.00 61.30 C ATOM 462 CG ARG A 30 -2.152 9.097 -6.222 1.00 52.10 C ATOM 463 CD ARG A 30 -3.039 10.197 -5.661 1.00 11.20 C ATOM 464 NE ARG A 30 -4.421 10.070 -6.114 1.00 70.50 N ATOM 465 CZ ARG A 30 -5.407 10.878 -5.728 1.00 42.30 C ATOM 466 NH1 ARG A 30 -5.166 11.872 -4.882 1.00 24.20 N ATOM 467 NH2 ARG A 30 -6.635 10.692 -6.189 1.00 33.40 N ATOM 0 H ARG A 30 -2.194 9.024 -2.983 1.00 64.00 H new ATOM 0 HA ARG A 30 -2.424 6.902 -4.869 1.00 53.40 H new ATOM 0 HB2 ARG A 30 -0.857 9.442 -4.554 1.00 61.30 H new ATOM 0 HB3 ARG A 30 -0.253 8.261 -5.699 1.00 61.30 H new ATOM 0 HG2 ARG A 30 -1.619 9.469 -7.097 1.00 52.10 H new ATOM 0 HG3 ARG A 30 -2.771 8.264 -6.556 1.00 52.10 H new ATOM 0 HD2 ARG A 30 -3.010 10.166 -4.572 1.00 11.20 H new ATOM 0 HD3 ARG A 30 -2.647 11.168 -5.962 1.00 11.20 H new ATOM 0 HE ARG A 30 -4.645 9.317 -6.765 1.00 70.50 H new ATOM 0 HH11 ARG A 30 -4.222 12.020 -4.524 1.00 24.20 H new ATOM 0 HH12 ARG A 30 -5.925 12.488 -4.590 1.00 24.20 H new ATOM 0 HH21 ARG A 30 -6.826 9.930 -6.840 1.00 33.40 H new ATOM 0 HH22 ARG A 30 -7.390 11.311 -5.893 1.00 33.40 H new ATOM 481 N LEU A 31 0.117 6.868 -2.804 1.00 44.00 N ATOM 482 CA LEU A 31 1.228 6.058 -2.317 1.00 31.40 C ATOM 483 C LEU A 31 0.729 4.729 -1.756 1.00 62.20 C ATOM 484 O LEU A 31 1.338 3.683 -1.978 1.00 41.50 O ATOM 485 CB LEU A 31 2.009 6.820 -1.243 1.00 72.30 C ATOM 486 CG LEU A 31 3.226 7.593 -1.753 1.00 51.10 C ATOM 487 CD1 LEU A 31 4.321 6.634 -2.195 1.00 71.20 C ATOM 488 CD2 LEU A 31 2.831 8.516 -2.896 1.00 54.20 C ATOM 0 H LEU A 31 -0.092 7.685 -2.231 1.00 44.00 H new ATOM 0 HA LEU A 31 1.890 5.849 -3.158 1.00 31.40 H new ATOM 0 HB2 LEU A 31 1.333 7.520 -0.752 1.00 72.30 H new ATOM 0 HB3 LEU A 31 2.340 6.111 -0.484 1.00 72.30 H new ATOM 0 HG LEU A 31 3.613 8.203 -0.937 1.00 51.10 H new ATOM 0 HD11 LEU A 31 5.179 7.202 -2.555 1.00 71.20 H new ATOM 0 HD12 LEU A 31 4.624 6.014 -1.351 1.00 71.20 H new ATOM 0 HD13 LEU A 31 3.946 5.997 -2.996 1.00 71.20 H new ATOM 0 HD21 LEU A 31 3.709 9.058 -3.246 1.00 54.20 H new ATOM 0 HD22 LEU A 31 2.419 7.926 -3.714 1.00 54.20 H new ATOM 0 HD23 LEU A 31 2.081 9.227 -2.547 1.00 54.20 H new ATOM 500 N TYR A 32 -0.381 4.779 -1.027 1.00 30.10 N ATOM 501 CA TYR A 32 -0.959 3.579 -0.434 1.00 22.10 C ATOM 502 C TYR A 32 -1.516 2.654 -1.512 1.00 70.30 C ATOM 503 O TYR A 32 -1.262 1.450 -1.502 1.00 53.00 O ATOM 504 CB TYR A 32 -2.065 3.956 0.556 1.00 42.20 C ATOM 505 CG TYR A 32 -1.620 3.929 2.001 1.00 55.30 C ATOM 506 CD1 TYR A 32 -1.193 2.747 2.593 1.00 23.20 C ATOM 507 CD2 TYR A 32 -1.627 5.085 2.771 1.00 25.10 C ATOM 508 CE1 TYR A 32 -0.787 2.719 3.914 1.00 32.10 C ATOM 509 CE2 TYR A 32 -1.221 5.064 4.092 1.00 0.23 C ATOM 510 CZ TYR A 32 -0.802 3.879 4.658 1.00 64.10 C ATOM 511 OH TYR A 32 -0.398 3.854 5.973 1.00 31.20 O ATOM 0 H TYR A 32 -0.898 5.637 -0.833 1.00 30.10 H new ATOM 0 HA TYR A 32 -0.169 3.050 0.100 1.00 22.10 H new ATOM 0 HB2 TYR A 32 -2.431 4.954 0.316 1.00 42.20 H new ATOM 0 HB3 TYR A 32 -2.903 3.270 0.430 1.00 42.20 H new ATOM 0 HD1 TYR A 32 -1.178 1.836 2.012 1.00 23.20 H new ATOM 0 HD2 TYR A 32 -1.955 6.015 2.331 1.00 25.10 H new ATOM 0 HE1 TYR A 32 -0.459 1.792 4.361 1.00 32.10 H new ATOM 0 HE2 TYR A 32 -1.232 5.971 4.678 1.00 0.23 H new ATOM 0 HH TYR A 32 -0.468 4.754 6.354 1.00 31.20 H new ATOM 521 N GLN A 33 -2.279 3.225 -2.438 1.00 21.00 N ATOM 522 CA GLN A 33 -2.873 2.451 -3.522 1.00 24.50 C ATOM 523 C GLN A 33 -1.798 1.760 -4.354 1.00 3.14 C ATOM 524 O GLN A 33 -1.967 0.616 -4.779 1.00 21.40 O ATOM 525 CB GLN A 33 -3.722 3.356 -4.416 1.00 60.20 C ATOM 526 CG GLN A 33 -5.176 3.450 -3.982 1.00 10.00 C ATOM 527 CD GLN A 33 -6.139 3.387 -5.150 1.00 64.30 C ATOM 528 OE1 GLN A 33 -6.337 2.331 -5.751 1.00 24.20 O ATOM 529 NE2 GLN A 33 -6.746 4.522 -5.480 1.00 33.10 N ATOM 0 H GLN A 33 -2.501 4.220 -2.460 1.00 21.00 H new ATOM 0 HA GLN A 33 -3.510 1.685 -3.079 1.00 24.50 H new ATOM 0 HB2 GLN A 33 -3.288 4.356 -4.423 1.00 60.20 H new ATOM 0 HB3 GLN A 33 -3.680 2.984 -5.440 1.00 60.20 H new ATOM 0 HG2 GLN A 33 -5.398 2.638 -3.289 1.00 10.00 H new ATOM 0 HG3 GLN A 33 -5.330 4.383 -3.439 1.00 10.00 H new ATOM 0 HE21 GLN A 33 -6.553 5.375 -4.955 1.00 33.10 H new ATOM 0 HE22 GLN A 33 -7.405 4.540 -6.258 1.00 33.10 H new ATOM 538 N HIS A 34 -0.692 2.460 -4.583 1.00 55.20 N ATOM 539 CA HIS A 34 0.410 1.913 -5.366 1.00 72.10 C ATOM 540 C HIS A 34 1.058 0.735 -4.646 1.00 25.30 C ATOM 541 O HIS A 34 1.542 -0.203 -5.280 1.00 50.10 O ATOM 542 CB HIS A 34 1.456 2.997 -5.639 1.00 60.30 C ATOM 543 CG HIS A 34 1.247 3.715 -6.936 1.00 40.20 C ATOM 544 ND1 HIS A 34 2.091 3.575 -8.019 1.00 43.50 N ATOM 545 CD2 HIS A 34 0.281 4.582 -7.324 1.00 23.00 C ATOM 546 CE1 HIS A 34 1.654 4.326 -9.015 1.00 40.10 C ATOM 547 NE2 HIS A 34 0.558 4.946 -8.619 1.00 15.30 N ATOM 0 H HIS A 34 -0.535 3.407 -4.238 1.00 55.20 H new ATOM 0 HA HIS A 34 0.007 1.558 -6.315 1.00 72.10 H new ATOM 0 HB2 HIS A 34 1.438 3.721 -4.825 1.00 60.30 H new ATOM 0 HB3 HIS A 34 2.447 2.543 -5.640 1.00 60.30 H new ATOM 0 HD2 HIS A 34 -0.551 4.923 -6.727 1.00 23.00 H new ATOM 0 HE1 HIS A 34 2.115 4.417 -9.987 1.00 40.10 H new ATOM 0 HE2 HIS A 34 0.006 5.591 -9.184 1.00 15.30 H new ATOM 556 N ALA A 35 1.065 0.790 -3.318 1.00 70.10 N ATOM 557 CA ALA A 35 1.654 -0.273 -2.513 1.00 11.30 C ATOM 558 C ALA A 35 0.804 -1.538 -2.561 1.00 32.50 C ATOM 559 O ALA A 35 1.330 -2.650 -2.602 1.00 15.40 O ATOM 560 CB ALA A 35 1.829 0.192 -1.074 1.00 60.10 C ATOM 0 H ALA A 35 0.670 1.559 -2.777 1.00 70.10 H new ATOM 0 HA ALA A 35 2.632 -0.510 -2.931 1.00 11.30 H new ATOM 0 HB1 ALA A 35 2.270 -0.611 -0.483 1.00 60.10 H new ATOM 0 HB2 ALA A 35 2.485 1.062 -1.050 1.00 60.10 H new ATOM 0 HB3 ALA A 35 0.858 0.458 -0.657 1.00 60.10 H new ATOM 566 N VAL A 36 -0.513 -1.361 -2.554 1.00 2.32 N ATOM 567 CA VAL A 36 -1.436 -2.488 -2.596 1.00 52.10 C ATOM 568 C VAL A 36 -1.392 -3.188 -3.950 1.00 4.30 C ATOM 569 O VAL A 36 -1.584 -4.401 -4.038 1.00 74.10 O ATOM 570 CB VAL A 36 -2.882 -2.041 -2.308 1.00 30.20 C ATOM 571 CG1 VAL A 36 -3.794 -3.248 -2.155 1.00 74.20 C ATOM 572 CG2 VAL A 36 -2.933 -1.165 -1.066 1.00 52.30 C ATOM 0 H VAL A 36 -0.965 -0.447 -2.520 1.00 2.32 H new ATOM 0 HA VAL A 36 -1.117 -3.185 -1.821 1.00 52.10 H new ATOM 0 HB VAL A 36 -3.236 -1.452 -3.154 1.00 30.20 H new ATOM 0 HG11 VAL A 36 -4.811 -2.912 -1.952 1.00 74.20 H new ATOM 0 HG12 VAL A 36 -3.782 -3.832 -3.075 1.00 74.20 H new ATOM 0 HG13 VAL A 36 -3.444 -3.866 -1.328 1.00 74.20 H new ATOM 0 HG21 VAL A 36 -3.962 -0.859 -0.879 1.00 52.30 H new ATOM 0 HG22 VAL A 36 -2.559 -1.726 -0.209 1.00 52.30 H new ATOM 0 HG23 VAL A 36 -2.314 -0.281 -1.219 1.00 52.30 H new ATOM 582 N GLU A 37 -1.141 -2.417 -5.002 1.00 53.40 N ATOM 583 CA GLU A 37 -1.075 -2.965 -6.352 1.00 73.00 C ATOM 584 C GLU A 37 0.163 -3.839 -6.526 1.00 3.13 C ATOM 585 O GLU A 37 0.132 -4.843 -7.239 1.00 41.30 O ATOM 586 CB GLU A 37 -1.065 -1.835 -7.384 1.00 41.00 C ATOM 587 CG GLU A 37 -2.447 -1.476 -7.904 1.00 11.50 C ATOM 588 CD GLU A 37 -2.502 -1.408 -9.419 1.00 62.10 C ATOM 589 OE1 GLU A 37 -2.236 -0.321 -9.974 1.00 61.00 O ATOM 590 OE2 GLU A 37 -2.809 -2.442 -10.040 1.00 31.10 O ATOM 0 H GLU A 37 -0.980 -1.411 -4.946 1.00 53.40 H new ATOM 0 HA GLU A 37 -1.959 -3.584 -6.509 1.00 73.00 H new ATOM 0 HB2 GLU A 37 -0.612 -0.950 -6.937 1.00 41.00 H new ATOM 0 HB3 GLU A 37 -0.434 -2.126 -8.224 1.00 41.00 H new ATOM 0 HG2 GLU A 37 -3.167 -2.214 -7.551 1.00 11.50 H new ATOM 0 HG3 GLU A 37 -2.748 -0.514 -7.490 1.00 11.50 H new ATOM 597 N TYR A 38 1.252 -3.453 -5.869 1.00 14.30 N ATOM 598 CA TYR A 38 2.500 -4.201 -5.951 1.00 11.00 C ATOM 599 C TYR A 38 2.407 -5.506 -5.167 1.00 21.00 C ATOM 600 O TYR A 38 3.044 -6.500 -5.518 1.00 34.30 O ATOM 601 CB TYR A 38 3.661 -3.357 -5.422 1.00 74.40 C ATOM 602 CG TYR A 38 4.240 -2.410 -6.449 1.00 34.10 C ATOM 603 CD1 TYR A 38 4.820 -2.892 -7.616 1.00 23.50 C ATOM 604 CD2 TYR A 38 4.207 -1.036 -6.252 1.00 23.20 C ATOM 605 CE1 TYR A 38 5.350 -2.030 -8.557 1.00 5.40 C ATOM 606 CE2 TYR A 38 4.734 -0.168 -7.188 1.00 22.30 C ATOM 607 CZ TYR A 38 5.304 -0.669 -8.339 1.00 25.10 C ATOM 608 OH TYR A 38 5.831 0.191 -9.274 1.00 14.40 O ATOM 0 H TYR A 38 1.295 -2.626 -5.274 1.00 14.30 H new ATOM 0 HA TYR A 38 2.681 -4.441 -6.999 1.00 11.00 H new ATOM 0 HB2 TYR A 38 3.318 -2.781 -4.562 1.00 74.40 H new ATOM 0 HB3 TYR A 38 4.449 -4.021 -5.067 1.00 74.40 H new ATOM 0 HD1 TYR A 38 4.857 -3.957 -7.790 1.00 23.50 H new ATOM 0 HD2 TYR A 38 3.762 -0.639 -5.352 1.00 23.20 H new ATOM 0 HE1 TYR A 38 5.798 -2.420 -9.459 1.00 5.40 H new ATOM 0 HE2 TYR A 38 4.700 0.898 -7.019 1.00 22.30 H new ATOM 0 HH TYR A 38 5.717 1.115 -8.969 1.00 14.40 H new ATOM 618 N PHE A 39 1.612 -5.496 -4.102 1.00 15.20 N ATOM 619 CA PHE A 39 1.438 -6.679 -3.266 1.00 5.02 C ATOM 620 C PHE A 39 0.590 -7.729 -3.977 1.00 71.40 C ATOM 621 O PHE A 39 0.829 -8.929 -3.842 1.00 52.50 O ATOM 622 CB PHE A 39 0.790 -6.297 -1.936 1.00 52.10 C ATOM 623 CG PHE A 39 1.781 -5.913 -0.874 1.00 43.40 C ATOM 624 CD1 PHE A 39 2.685 -6.841 -0.384 1.00 4.21 C ATOM 625 CD2 PHE A 39 1.808 -4.622 -0.368 1.00 32.50 C ATOM 626 CE1 PHE A 39 3.598 -6.490 0.593 1.00 63.30 C ATOM 627 CE2 PHE A 39 2.719 -4.266 0.608 1.00 70.40 C ATOM 628 CZ PHE A 39 3.616 -5.201 1.089 1.00 32.40 C ATOM 0 H PHE A 39 1.078 -4.682 -3.797 1.00 15.20 H new ATOM 0 HA PHE A 39 2.423 -7.105 -3.073 1.00 5.02 H new ATOM 0 HB2 PHE A 39 0.105 -5.465 -2.100 1.00 52.10 H new ATOM 0 HB3 PHE A 39 0.193 -7.136 -1.578 1.00 52.10 H new ATOM 0 HD1 PHE A 39 2.677 -7.850 -0.769 1.00 4.21 H new ATOM 0 HD2 PHE A 39 1.110 -3.887 -0.741 1.00 32.50 H new ATOM 0 HE1 PHE A 39 4.297 -7.223 0.968 1.00 63.30 H new ATOM 0 HE2 PHE A 39 2.730 -3.258 0.995 1.00 70.40 H new ATOM 0 HZ PHE A 39 4.330 -4.924 1.851 1.00 32.40 H new ATOM 638 N LEU A 40 -0.402 -7.269 -4.733 1.00 61.00 N ATOM 639 CA LEU A 40 -1.285 -8.171 -5.464 1.00 53.20 C ATOM 640 C LEU A 40 -0.533 -8.882 -6.583 1.00 63.10 C ATOM 641 O LEU A 40 -0.749 -10.060 -6.835 1.00 52.10 O ATOM 642 CB LEU A 40 -2.474 -7.396 -6.040 1.00 2.12 C ATOM 643 CG LEU A 40 -3.781 -7.542 -5.258 1.00 20.10 C ATOM 644 CD1 LEU A 40 -4.593 -6.258 -5.333 1.00 24.10 C ATOM 645 CD2 LEU A 40 -4.589 -8.717 -5.786 1.00 32.10 C ATOM 0 H LEU A 40 -0.614 -6.279 -4.855 1.00 61.00 H new ATOM 0 HA LEU A 40 -1.654 -8.924 -4.767 1.00 53.20 H new ATOM 0 HB2 LEU A 40 -2.212 -6.339 -6.086 1.00 2.12 H new ATOM 0 HB3 LEU A 40 -2.642 -7.727 -7.065 1.00 2.12 H new ATOM 0 HG LEU A 40 -3.538 -7.734 -4.213 1.00 20.10 H new ATOM 0 HD11 LEU A 40 -5.519 -6.380 -4.771 1.00 24.10 H new ATOM 0 HD12 LEU A 40 -4.016 -5.437 -4.907 1.00 24.10 H new ATOM 0 HD13 LEU A 40 -4.827 -6.036 -6.374 1.00 24.10 H new ATOM 0 HD21 LEU A 40 -5.515 -8.806 -5.218 1.00 32.10 H new ATOM 0 HD22 LEU A 40 -4.822 -8.554 -6.838 1.00 32.10 H new ATOM 0 HD23 LEU A 40 -4.009 -9.634 -5.680 1.00 32.10 H new ATOM 657 N HIS A 41 0.351 -8.151 -7.254 1.00 43.50 N ATOM 658 CA HIS A 41 1.135 -8.712 -8.349 1.00 54.10 C ATOM 659 C HIS A 41 2.190 -9.682 -7.824 1.00 53.10 C ATOM 660 O HIS A 41 2.549 -10.640 -8.498 1.00 44.40 O ATOM 661 CB HIS A 41 1.807 -7.594 -9.149 1.00 61.40 C ATOM 662 CG HIS A 41 2.367 -8.051 -10.460 1.00 21.40 C ATOM 663 ND1 HIS A 41 1.975 -7.522 -11.670 1.00 61.00 N ATOM 664 CD2 HIS A 41 3.299 -8.992 -10.740 1.00 54.30 C ATOM 665 CE1 HIS A 41 2.638 -8.118 -12.640 1.00 64.10 C ATOM 666 NE2 HIS A 41 3.447 -9.014 -12.110 1.00 44.10 N ATOM 0 H HIS A 41 0.543 -7.168 -7.059 1.00 43.50 H new ATOM 0 HA HIS A 41 0.457 -9.260 -9.003 1.00 54.10 H new ATOM 0 HB2 HIS A 41 1.082 -6.801 -9.330 1.00 61.40 H new ATOM 0 HB3 HIS A 41 2.609 -7.162 -8.551 1.00 61.40 H new ATOM 0 HD2 HIS A 41 3.826 -9.608 -10.026 1.00 54.30 H new ATOM 0 HE1 HIS A 41 2.536 -7.908 -13.694 1.00 64.10 H new ATOM 0 HE2 HIS A 41 4.079 -9.624 -12.629 1.00 44.10 H new ATOM 675 N ALA A 42 2.686 -9.416 -6.620 1.00 70.20 N ATOM 676 CA ALA A 42 3.701 -10.260 -6.007 1.00 74.10 C ATOM 677 C ALA A 42 3.156 -11.660 -5.732 1.00 31.10 C ATOM 678 O ALA A 42 3.868 -12.650 -5.877 1.00 53.30 O ATOM 679 CB ALA A 42 4.211 -9.631 -4.721 1.00 74.50 C ATOM 0 H ALA A 42 2.400 -8.620 -6.050 1.00 70.20 H new ATOM 0 HA ALA A 42 4.532 -10.349 -6.707 1.00 74.10 H new ATOM 0 HB1 ALA A 42 4.969 -10.276 -4.276 1.00 74.50 H new ATOM 0 HB2 ALA A 42 4.647 -8.656 -4.941 1.00 74.50 H new ATOM 0 HB3 ALA A 42 3.383 -9.509 -4.022 1.00 74.50 H new ATOM 685 N ILE A 43 1.891 -11.730 -5.332 1.00 45.00 N ATOM 686 CA ILE A 43 1.252 -13.000 -5.034 1.00 30.40 C ATOM 687 C ILE A 43 0.901 -13.760 -6.313 1.00 33.30 C ATOM 688 O ILE A 43 1.122 -14.960 -6.417 1.00 35.10 O ATOM 689 CB ILE A 43 -0.027 -12.810 -4.198 1.00 40.40 C ATOM 690 CG1 ILE A 43 0.254 -11.910 -2.995 1.00 51.20 C ATOM 691 CG2 ILE A 43 -0.571 -14.150 -3.741 1.00 23.20 C ATOM 692 CD1 ILE A 43 -0.992 -11.290 -2.396 1.00 1.40 C ATOM 0 H ILE A 43 1.288 -10.917 -5.207 1.00 45.00 H new ATOM 0 HA ILE A 43 1.971 -13.580 -4.456 1.00 30.40 H new ATOM 0 HB ILE A 43 -0.780 -12.330 -4.824 1.00 40.40 H new ATOM 0 HG12 ILE A 43 0.765 -12.492 -2.228 1.00 51.20 H new ATOM 0 HG13 ILE A 43 0.935 -11.115 -3.298 1.00 51.20 H new ATOM 0 HG21 ILE A 43 -1.475 -13.994 -3.152 1.00 23.20 H new ATOM 0 HG22 ILE A 43 -0.806 -14.763 -4.611 1.00 23.20 H new ATOM 0 HG23 ILE A 43 0.177 -14.657 -3.131 1.00 23.20 H new ATOM 0 HD11 ILE A 43 -0.715 -10.665 -1.547 1.00 1.40 H new ATOM 0 HD12 ILE A 43 -1.493 -10.680 -3.148 1.00 1.40 H new ATOM 0 HD13 ILE A 43 -1.666 -12.079 -2.061 1.00 1.40 H new ATOM 704 N LYS A 44 0.349 -13.040 -7.284 1.00 23.30 N ATOM 705 CA LYS A 44 -0.036 -13.640 -8.557 1.00 4.04 C ATOM 706 C LYS A 44 1.174 -14.240 -9.265 1.00 20.40 C ATOM 707 O LYS A 44 1.153 -15.390 -9.678 1.00 3.24 O ATOM 708 CB LYS A 44 -0.704 -12.590 -9.455 1.00 2.33 C ATOM 709 CG LYS A 44 -1.935 -13.110 -10.170 1.00 4.33 C ATOM 710 CD LYS A 44 -2.152 -12.400 -11.500 1.00 20.10 C ATOM 711 CE LYS A 44 -3.527 -11.750 -11.570 1.00 21.40 C ATOM 712 NZ LYS A 44 -4.169 -11.950 -12.900 1.00 43.30 N ATOM 0 H LYS A 44 0.158 -12.040 -7.214 1.00 23.30 H new ATOM 0 HA LYS A 44 -0.746 -14.442 -8.355 1.00 4.04 H new ATOM 0 HB2 LYS A 44 -0.981 -11.727 -8.849 1.00 2.33 H new ATOM 0 HB3 LYS A 44 0.017 -12.242 -10.194 1.00 2.33 H new ATOM 0 HG2 LYS A 44 -1.832 -14.181 -10.341 1.00 4.33 H new ATOM 0 HG3 LYS A 44 -2.811 -12.972 -9.536 1.00 4.33 H new ATOM 0 HD2 LYS A 44 -1.382 -11.640 -11.638 1.00 20.10 H new ATOM 0 HD3 LYS A 44 -2.044 -13.114 -12.316 1.00 20.10 H new ATOM 0 HE2 LYS A 44 -4.166 -12.168 -10.792 1.00 21.40 H new ATOM 0 HE3 LYS A 44 -3.435 -10.683 -11.368 1.00 21.40 H new ATOM 0 HZ1 LYS A 44 -5.103 -11.493 -12.907 1.00 43.30 H new ATOM 0 HZ2 LYS A 44 -3.572 -11.529 -13.640 1.00 43.30 H new ATOM 0 HZ3 LYS A 44 -4.281 -12.968 -13.082 1.00 43.30 H new ATOM 726 N TYR A 45 2.229 -13.440 -9.403 1.00 5.21 N ATOM 727 CA TYR A 45 3.448 -13.890 -10.060 1.00 61.10 C ATOM 728 C TYR A 45 4.283 -14.760 -9.129 1.00 75.10 C ATOM 729 O TYR A 45 4.490 -15.950 -9.391 1.00 32.50 O ATOM 730 CB TYR A 45 4.272 -12.690 -10.530 1.00 73.10 C ATOM 731 CG TYR A 45 4.006 -12.300 -11.970 1.00 15.10 C ATOM 732 CD1 TYR A 45 2.718 -12.010 -12.400 1.00 1.21 C ATOM 733 CD2 TYR A 45 5.043 -12.220 -12.890 1.00 0.10 C ATOM 734 CE1 TYR A 45 2.470 -11.650 -13.710 1.00 41.50 C ATOM 735 CE2 TYR A 45 4.804 -11.860 -14.200 1.00 51.30 C ATOM 736 CZ TYR A 45 3.517 -11.580 -14.610 1.00 65.30 C ATOM 737 OH TYR A 45 3.275 -11.220 -15.920 1.00 51.40 O ATOM 0 H TYR A 45 2.262 -12.477 -9.068 1.00 5.21 H new ATOM 0 HA TYR A 45 3.162 -14.488 -10.925 1.00 61.10 H new ATOM 0 HB2 TYR A 45 4.058 -11.837 -9.886 1.00 73.10 H new ATOM 0 HB3 TYR A 45 5.331 -12.919 -10.414 1.00 73.10 H new ATOM 0 HD1 TYR A 45 1.898 -12.067 -11.700 1.00 1.21 H new ATOM 0 HD2 TYR A 45 6.052 -12.443 -12.575 1.00 0.10 H new ATOM 0 HE1 TYR A 45 1.463 -11.424 -14.030 1.00 41.50 H new ATOM 0 HE2 TYR A 45 5.622 -11.798 -14.902 1.00 51.30 H new ATOM 0 HH TYR A 45 4.118 -11.218 -16.420 1.00 51.40 H new ATOM 747 N GLU A 46 4.760 -14.170 -8.041 1.00 75.10 N ATOM 748 CA GLU A 46 5.573 -14.890 -7.069 1.00 62.30 C ATOM 749 C GLU A 46 4.704 -15.490 -5.971 1.00 31.10 C ATOM 750 O GLU A 46 4.479 -14.870 -4.932 1.00 44.10 O ATOM 751 CB GLU A 46 6.618 -13.950 -6.455 1.00 10.20 C ATOM 752 CG GLU A 46 7.866 -13.790 -7.308 1.00 14.20 C ATOM 753 CD GLU A 46 9.036 -14.610 -6.789 1.00 63.40 C ATOM 754 OE1 GLU A 46 9.737 -14.120 -5.876 1.00 35.00 O ATOM 755 OE2 GLU A 46 9.252 -15.730 -7.296 1.00 2.31 O ATOM 0 H GLU A 46 4.597 -13.190 -7.809 1.00 75.10 H new ATOM 0 HA GLU A 46 6.082 -15.703 -7.587 1.00 62.30 H new ATOM 0 HB2 GLU A 46 6.166 -12.970 -6.299 1.00 10.20 H new ATOM 0 HB3 GLU A 46 6.904 -14.329 -5.474 1.00 10.20 H new ATOM 0 HG2 GLU A 46 7.643 -14.089 -8.332 1.00 14.20 H new ATOM 0 HG3 GLU A 46 8.149 -12.738 -7.338 1.00 14.20 H new ATOM 762 N ALA A 47 4.218 -16.700 -6.205 1.00 62.10 N ATOM 763 CA ALA A 47 3.374 -17.390 -5.234 1.00 75.30 C ATOM 764 C ALA A 47 4.216 -18.110 -4.188 1.00 51.30 C ATOM 765 O ALA A 47 5.336 -18.540 -4.466 1.00 33.40 O ATOM 766 CB ALA A 47 2.449 -18.370 -5.938 1.00 4.33 C ATOM 0 H ALA A 47 4.393 -17.227 -7.060 1.00 62.10 H new ATOM 0 HA ALA A 47 2.768 -16.643 -4.722 1.00 75.30 H new ATOM 0 HB1 ALA A 47 1.826 -18.876 -5.201 1.00 4.33 H new ATOM 0 HB2 ALA A 47 1.814 -17.830 -6.640 1.00 4.33 H new ATOM 0 HB3 ALA A 47 3.043 -19.107 -6.479 1.00 4.33 H new ATOM 772 N HIS A 48 3.670 -18.240 -2.984 1.00 61.10 N ATOM 773 CA HIS A 48 4.371 -18.910 -1.895 1.00 21.20 C ATOM 774 C HIS A 48 3.413 -19.790 -1.090 1.00 72.10 C ATOM 775 O HIS A 48 2.275 -20.020 -1.497 1.00 5.12 O ATOM 776 CB HIS A 48 5.039 -17.880 -0.981 1.00 11.50 C ATOM 777 CG HIS A 48 6.532 -17.870 -1.083 1.00 11.40 C ATOM 778 ND1 HIS A 48 7.341 -18.750 -0.389 1.00 22.30 N ATOM 779 CD2 HIS A 48 7.366 -17.090 -1.807 1.00 11.00 C ATOM 780 CE1 HIS A 48 8.606 -18.500 -0.679 1.00 73.00 C ATOM 781 NE2 HIS A 48 8.649 -17.500 -1.537 1.00 32.40 N ATOM 0 H HIS A 48 2.744 -17.890 -2.737 1.00 61.10 H new ATOM 0 HA HIS A 48 5.141 -19.550 -2.327 1.00 21.20 H new ATOM 0 HB2 HIS A 48 4.659 -16.888 -1.226 1.00 11.50 H new ATOM 0 HB3 HIS A 48 4.755 -18.084 0.051 1.00 11.50 H new ATOM 0 HD2 HIS A 48 7.077 -16.292 -2.475 1.00 11.00 H new ATOM 0 HE1 HIS A 48 9.461 -19.026 -0.280 1.00 73.00 H new ATOM 0 HE2 HIS A 48 9.497 -17.096 -1.935 1.00 32.40 H new ATOM 790 N SER A 49 3.884 -20.280 0.054 1.00 4.42 N ATOM 791 CA SER A 49 3.070 -21.130 0.915 1.00 42.30 C ATOM 792 C SER A 49 1.849 -20.370 1.429 1.00 12.10 C ATOM 793 O SER A 49 1.724 -19.160 1.226 1.00 3.44 O ATOM 794 CB SER A 49 3.900 -21.640 2.092 1.00 52.30 C ATOM 795 OG SER A 49 4.668 -22.770 1.721 1.00 74.20 O ATOM 0 H SER A 49 4.825 -20.102 0.405 1.00 4.42 H new ATOM 0 HA SER A 49 2.726 -21.981 0.327 1.00 42.30 H new ATOM 0 HB2 SER A 49 4.560 -20.848 2.446 1.00 52.30 H new ATOM 0 HB3 SER A 49 3.241 -21.900 2.920 1.00 52.30 H new ATOM 0 HG SER A 49 5.192 -23.077 2.491 1.00 74.20 H new ATOM 801 N ASP A 50 0.952 -21.090 2.097 1.00 25.30 N ATOM 802 CA ASP A 50 -0.259 -20.490 2.641 1.00 22.40 C ATOM 803 C ASP A 50 0.082 -19.390 3.645 1.00 32.10 C ATOM 804 O ASP A 50 -0.588 -18.360 3.705 1.00 34.20 O ATOM 805 CB ASP A 50 -1.128 -21.550 3.310 1.00 5.34 C ATOM 806 CG ASP A 50 -2.606 -21.340 3.045 1.00 73.30 C ATOM 807 OD1 ASP A 50 -3.078 -21.750 1.962 1.00 53.10 O ATOM 808 OD2 ASP A 50 -3.292 -20.780 3.920 1.00 23.00 O ATOM 0 H ASP A 50 1.043 -22.090 2.274 1.00 25.30 H new ATOM 0 HA ASP A 50 -0.814 -20.047 1.814 1.00 22.40 H new ATOM 0 HB2 ASP A 50 -0.834 -22.536 2.951 1.00 5.34 H new ATOM 0 HB3 ASP A 50 -0.949 -21.536 4.385 1.00 5.34 H new ATOM 813 N LYS A 51 1.129 -19.620 4.431 1.00 50.20 N ATOM 814 CA LYS A 51 1.559 -18.650 5.433 1.00 25.40 C ATOM 815 C LYS A 51 1.948 -17.330 4.782 1.00 20.10 C ATOM 816 O LYS A 51 1.497 -16.260 5.200 1.00 64.30 O ATOM 817 CB LYS A 51 2.739 -19.210 6.233 1.00 75.30 C ATOM 818 CG LYS A 51 2.701 -18.840 7.708 1.00 54.20 C ATOM 819 CD LYS A 51 4.097 -18.600 8.260 1.00 33.40 C ATOM 820 CE LYS A 51 4.117 -17.460 9.257 1.00 11.30 C ATOM 821 NZ LYS A 51 5.241 -17.580 10.226 1.00 42.40 N ATOM 0 H LYS A 51 1.695 -20.468 4.394 1.00 50.20 H new ATOM 0 HA LYS A 51 0.724 -18.464 6.109 1.00 25.40 H new ATOM 0 HB2 LYS A 51 2.749 -20.296 6.139 1.00 75.30 H new ATOM 0 HB3 LYS A 51 3.669 -18.844 5.798 1.00 75.30 H new ATOM 0 HG2 LYS A 51 2.096 -17.943 7.843 1.00 54.20 H new ATOM 0 HG3 LYS A 51 2.218 -19.638 8.272 1.00 54.20 H new ATOM 0 HD2 LYS A 51 4.460 -19.509 8.739 1.00 33.40 H new ATOM 0 HD3 LYS A 51 4.779 -18.378 7.440 1.00 33.40 H new ATOM 0 HE2 LYS A 51 4.200 -16.514 8.723 1.00 11.30 H new ATOM 0 HE3 LYS A 51 3.172 -17.438 9.800 1.00 11.30 H new ATOM 0 HZ1 LYS A 51 5.215 -16.779 10.889 1.00 42.40 H new ATOM 0 HZ2 LYS A 51 5.149 -18.470 10.756 1.00 42.40 H new ATOM 0 HZ3 LYS A 51 6.145 -17.575 9.712 1.00 42.40 H new ATOM 835 N ALA A 52 2.789 -17.400 3.754 1.00 51.10 N ATOM 836 CA ALA A 52 3.240 -16.210 3.045 1.00 2.40 C ATOM 837 C ALA A 52 2.135 -15.650 2.160 1.00 44.10 C ATOM 838 O ALA A 52 1.990 -14.430 2.034 1.00 33.40 O ATOM 839 CB ALA A 52 4.474 -16.530 2.214 1.00 54.50 C ATOM 0 H ALA A 52 3.173 -18.274 3.393 1.00 51.10 H new ATOM 0 HA ALA A 52 3.499 -15.451 3.783 1.00 2.40 H new ATOM 0 HB1 ALA A 52 4.802 -15.633 1.689 1.00 54.50 H new ATOM 0 HB2 ALA A 52 5.273 -16.880 2.868 1.00 54.50 H new ATOM 0 HB3 ALA A 52 4.233 -17.307 1.489 1.00 54.50 H new ATOM 845 N LYS A 53 1.359 -16.540 1.550 1.00 25.40 N ATOM 846 CA LYS A 53 0.267 -16.120 0.675 1.00 33.40 C ATOM 847 C LYS A 53 -0.822 -15.400 1.463 1.00 11.00 C ATOM 848 O LYS A 53 -1.294 -14.340 1.062 1.00 31.30 O ATOM 849 CB LYS A 53 -0.324 -17.340 -0.042 1.00 54.10 C ATOM 850 CG LYS A 53 -1.063 -16.990 -1.324 1.00 62.20 C ATOM 851 CD LYS A 53 -1.544 -18.240 -2.047 1.00 61.30 C ATOM 852 CE LYS A 53 -3.018 -18.510 -1.779 1.00 64.00 C ATOM 853 NZ LYS A 53 -3.799 -18.620 -3.040 1.00 34.20 N ATOM 0 H LYS A 53 1.464 -17.550 1.643 1.00 25.40 H new ATOM 0 HA LYS A 53 0.668 -15.425 -0.063 1.00 33.40 H new ATOM 0 HB2 LYS A 53 0.479 -18.040 -0.274 1.00 54.10 H new ATOM 0 HB3 LYS A 53 -1.008 -17.853 0.634 1.00 54.10 H new ATOM 0 HG2 LYS A 53 -1.915 -16.352 -1.092 1.00 62.20 H new ATOM 0 HG3 LYS A 53 -0.406 -16.419 -1.980 1.00 62.20 H new ATOM 0 HD2 LYS A 53 -1.384 -18.125 -3.119 1.00 61.30 H new ATOM 0 HD3 LYS A 53 -0.952 -19.097 -1.726 1.00 61.30 H new ATOM 0 HE2 LYS A 53 -3.120 -19.432 -1.207 1.00 64.00 H new ATOM 0 HE3 LYS A 53 -3.429 -17.708 -1.166 1.00 64.00 H new ATOM 0 HZ1 LYS A 53 -4.798 -18.804 -2.815 1.00 34.20 H new ATOM 0 HZ2 LYS A 53 -3.723 -17.731 -3.574 1.00 34.20 H new ATOM 0 HZ3 LYS A 53 -3.424 -19.402 -3.614 1.00 34.20 H new ATOM 867 N GLU A 54 -1.220 -15.990 2.587 1.00 3.05 N ATOM 868 CA GLU A 54 -2.255 -15.410 3.431 1.00 2.33 C ATOM 869 C GLU A 54 -1.765 -14.120 4.088 1.00 63.00 C ATOM 870 O GLU A 54 -2.526 -13.170 4.249 1.00 40.20 O ATOM 871 CB GLU A 54 -2.688 -16.410 4.505 1.00 51.40 C ATOM 872 CG GLU A 54 -4.127 -16.230 4.961 1.00 73.10 C ATOM 873 CD GLU A 54 -4.894 -17.530 5.008 1.00 4.13 C ATOM 874 OE1 GLU A 54 -4.581 -18.380 5.878 1.00 4.41 O ATOM 875 OE2 GLU A 54 -5.808 -17.720 4.177 1.00 35.30 O ATOM 0 H GLU A 54 -0.839 -16.871 2.933 1.00 3.05 H new ATOM 0 HA GLU A 54 -3.111 -15.172 2.799 1.00 2.33 H new ATOM 0 HB2 GLU A 54 -2.562 -17.422 4.119 1.00 51.40 H new ATOM 0 HB3 GLU A 54 -2.028 -16.313 5.367 1.00 51.40 H new ATOM 0 HG2 GLU A 54 -4.135 -15.773 5.951 1.00 73.10 H new ATOM 0 HG3 GLU A 54 -4.633 -15.539 4.287 1.00 73.10 H new ATOM 882 N SER A 55 -0.491 -14.100 4.465 1.00 52.20 N ATOM 883 CA SER A 55 0.101 -12.930 5.106 1.00 62.10 C ATOM 884 C SER A 55 -0.018 -11.700 4.214 1.00 75.00 C ATOM 885 O SER A 55 -0.417 -10.630 4.670 1.00 1.33 O ATOM 886 CB SER A 55 1.571 -13.200 5.437 1.00 11.00 C ATOM 887 OG SER A 55 1.702 -13.880 6.672 1.00 73.30 O ATOM 0 H SER A 55 0.152 -14.881 4.338 1.00 52.20 H new ATOM 0 HA SER A 55 -0.444 -12.735 6.030 1.00 62.10 H new ATOM 0 HB2 SER A 55 2.022 -13.794 4.642 1.00 11.00 H new ATOM 0 HB3 SER A 55 2.116 -12.257 5.479 1.00 11.00 H new ATOM 0 HG SER A 55 1.668 -14.847 6.518 1.00 73.30 H new ATOM 893 N ILE A 56 0.333 -11.860 2.943 1.00 3.12 N ATOM 894 CA ILE A 56 0.267 -10.760 1.987 1.00 13.00 C ATOM 895 C ILE A 56 -1.179 -10.410 1.655 1.00 72.10 C ATOM 896 O ILE A 56 -1.524 -9.241 1.508 1.00 54.10 O ATOM 897 CB ILE A 56 1.014 -11.110 0.683 1.00 61.10 C ATOM 898 CG1 ILE A 56 2.425 -11.610 0.991 1.00 55.40 C ATOM 899 CG2 ILE A 56 1.067 -9.896 -0.233 1.00 13.40 C ATOM 900 CD1 ILE A 56 2.886 -12.720 0.072 1.00 24.20 C ATOM 0 H ILE A 56 0.666 -12.740 2.550 1.00 3.12 H new ATOM 0 HA ILE A 56 0.747 -9.900 2.454 1.00 13.00 H new ATOM 0 HB ILE A 56 0.472 -11.907 0.175 1.00 61.10 H new ATOM 0 HG12 ILE A 56 3.122 -10.775 0.917 1.00 55.40 H new ATOM 0 HG13 ILE A 56 2.460 -11.964 2.021 1.00 55.40 H new ATOM 0 HG21 ILE A 56 1.596 -10.155 -1.150 1.00 13.40 H new ATOM 0 HG22 ILE A 56 0.053 -9.579 -0.477 1.00 13.40 H new ATOM 0 HG23 ILE A 56 1.590 -9.083 0.271 1.00 13.40 H new ATOM 0 HD11 ILE A 56 3.895 -13.026 0.348 1.00 24.20 H new ATOM 0 HD12 ILE A 56 2.211 -13.571 0.163 1.00 24.20 H new ATOM 0 HD13 ILE A 56 2.884 -12.364 -0.958 1.00 24.20 H new ATOM 912 N ARG A 57 -2.021 -11.430 1.536 1.00 22.40 N ATOM 913 CA ARG A 57 -3.430 -11.230 1.218 1.00 43.20 C ATOM 914 C ARG A 57 -4.129 -10.430 2.316 1.00 51.30 C ATOM 915 O ARG A 57 -4.946 -9.560 2.038 1.00 51.30 O ATOM 916 CB ARG A 57 -4.129 -12.570 1.023 1.00 31.30 C ATOM 917 CG ARG A 57 -5.405 -12.480 0.202 1.00 70.20 C ATOM 918 CD ARG A 57 -5.138 -12.740 -1.273 1.00 0.12 C ATOM 919 NE ARG A 57 -6.359 -12.660 -2.071 1.00 24.20 N ATOM 920 CZ ARG A 57 -6.935 -11.520 -2.439 1.00 75.10 C ATOM 921 NH1 ARG A 57 -6.405 -10.360 -2.079 1.00 52.40 N ATOM 922 NH2 ARG A 57 -8.044 -11.540 -3.166 1.00 45.30 N ATOM 0 H ARG A 57 -1.751 -12.406 1.655 1.00 22.40 H new ATOM 0 HA ARG A 57 -3.488 -10.664 0.289 1.00 43.20 H new ATOM 0 HB2 ARG A 57 -3.441 -13.261 0.535 1.00 31.30 H new ATOM 0 HB3 ARG A 57 -4.365 -12.992 2.000 1.00 31.30 H new ATOM 0 HG2 ARG A 57 -6.130 -13.203 0.575 1.00 70.20 H new ATOM 0 HG3 ARG A 57 -5.849 -11.492 0.324 1.00 70.20 H new ATOM 0 HD2 ARG A 57 -4.414 -12.015 -1.644 1.00 0.12 H new ATOM 0 HD3 ARG A 57 -4.691 -13.727 -1.392 1.00 0.12 H new ATOM 0 HE ARG A 57 -6.797 -13.533 -2.364 1.00 24.20 H new ATOM 0 HH11 ARG A 57 -5.553 -10.341 -1.518 1.00 52.40 H new ATOM 0 HH12 ARG A 57 -6.849 -9.487 -2.363 1.00 52.40 H new ATOM 0 HH21 ARG A 57 -8.456 -12.431 -3.443 1.00 45.30 H new ATOM 0 HH22 ARG A 57 -8.485 -10.664 -3.448 1.00 45.30 H new ATOM 936 N ALA A 58 -3.805 -10.750 3.566 1.00 23.30 N ATOM 937 CA ALA A 58 -4.404 -10.060 4.707 1.00 12.20 C ATOM 938 C ALA A 58 -3.964 -8.609 4.769 1.00 34.10 C ATOM 939 O ALA A 58 -4.702 -7.748 5.247 1.00 31.20 O ATOM 940 CB ALA A 58 -4.044 -10.780 5.999 1.00 62.20 C ATOM 0 H ALA A 58 -3.135 -11.478 3.815 1.00 23.30 H new ATOM 0 HA ALA A 58 -5.487 -10.073 4.581 1.00 12.20 H new ATOM 0 HB1 ALA A 58 -4.495 -10.259 6.844 1.00 62.20 H new ATOM 0 HB2 ALA A 58 -4.419 -11.803 5.962 1.00 62.20 H new ATOM 0 HB3 ALA A 58 -2.961 -10.795 6.118 1.00 62.20 H new ATOM 946 N LYS A 59 -2.757 -8.339 4.284 1.00 24.10 N ATOM 947 CA LYS A 59 -2.218 -6.983 4.288 1.00 41.40 C ATOM 948 C LYS A 59 -2.974 -6.091 3.307 1.00 14.30 C ATOM 949 O LYS A 59 -3.166 -4.901 3.557 1.00 34.40 O ATOM 950 CB LYS A 59 -0.730 -7.002 3.933 1.00 35.20 C ATOM 951 CG LYS A 59 0.182 -7.102 5.145 1.00 44.40 C ATOM 952 CD LYS A 59 1.439 -7.898 4.832 1.00 63.10 C ATOM 953 CE LYS A 59 1.859 -8.761 6.011 1.00 45.10 C ATOM 954 NZ LYS A 59 3.308 -9.100 5.963 1.00 2.10 N ATOM 0 H LYS A 59 -2.134 -9.040 3.883 1.00 24.10 H new ATOM 0 HA LYS A 59 -2.341 -6.575 5.291 1.00 41.40 H new ATOM 0 HB2 LYS A 59 -0.534 -7.845 3.270 1.00 35.20 H new ATOM 0 HB3 LYS A 59 -0.486 -6.096 3.378 1.00 35.20 H new ATOM 0 HG2 LYS A 59 0.457 -6.101 5.478 1.00 44.40 H new ATOM 0 HG3 LYS A 59 -0.354 -7.575 5.967 1.00 44.40 H new ATOM 0 HD2 LYS A 59 1.264 -8.530 3.961 1.00 63.10 H new ATOM 0 HD3 LYS A 59 2.248 -7.215 4.573 1.00 63.10 H new ATOM 0 HE2 LYS A 59 1.640 -8.237 6.941 1.00 45.10 H new ATOM 0 HE3 LYS A 59 1.271 -9.679 6.016 1.00 45.10 H new ATOM 0 HZ1 LYS A 59 3.554 -9.689 6.784 1.00 2.10 H new ATOM 0 HZ2 LYS A 59 3.513 -9.623 5.088 1.00 2.10 H new ATOM 0 HZ3 LYS A 59 3.870 -8.225 5.984 1.00 2.10 H new ATOM 968 N CYS A 60 -3.401 -6.674 2.191 1.00 13.20 N ATOM 969 CA CYS A 60 -4.134 -5.930 1.173 1.00 30.10 C ATOM 970 C CYS A 60 -5.475 -5.442 1.712 1.00 22.40 C ATOM 971 O CYS A 60 -5.942 -4.361 1.355 1.00 42.30 O ATOM 972 CB CYS A 60 -4.355 -6.803 -0.063 1.00 73.30 C ATOM 973 SG CYS A 60 -3.049 -6.666 -1.305 1.00 32.20 S ATOM 0 H CYS A 60 -3.252 -7.658 1.969 1.00 13.20 H new ATOM 0 HA CYS A 60 -3.539 -5.060 0.895 1.00 30.10 H new ATOM 0 HB2 CYS A 60 -4.436 -7.844 0.250 1.00 73.30 H new ATOM 0 HB3 CYS A 60 -5.307 -6.533 -0.520 1.00 73.30 H new ATOM 0 HG CYS A 60 -3.080 -7.707 -2.083 1.00 32.20 H new ATOM 979 N VAL A 61 -6.091 -6.247 2.572 1.00 63.10 N ATOM 980 CA VAL A 61 -7.380 -5.896 3.158 1.00 10.40 C ATOM 981 C VAL A 61 -7.252 -4.702 4.098 1.00 41.30 C ATOM 982 O VAL A 61 -8.098 -3.808 4.098 1.00 41.40 O ATOM 983 CB VAL A 61 -7.985 -7.081 3.933 1.00 31.40 C ATOM 984 CG1 VAL A 61 -9.409 -6.767 4.365 1.00 13.40 C ATOM 985 CG2 VAL A 61 -7.944 -8.348 3.090 1.00 2.41 C ATOM 0 H VAL A 61 -5.719 -7.146 2.878 1.00 63.10 H new ATOM 0 HA VAL A 61 -8.041 -5.635 2.332 1.00 10.40 H new ATOM 0 HB VAL A 61 -7.387 -7.248 4.829 1.00 31.40 H new ATOM 0 HG11 VAL A 61 -9.819 -7.616 4.911 1.00 13.40 H new ATOM 0 HG12 VAL A 61 -9.408 -5.888 5.009 1.00 13.40 H new ATOM 0 HG13 VAL A 61 -10.022 -6.572 3.485 1.00 13.40 H new ATOM 0 HG21 VAL A 61 -8.376 -9.175 3.654 1.00 2.41 H new ATOM 0 HG22 VAL A 61 -8.516 -8.195 2.175 1.00 2.41 H new ATOM 0 HG23 VAL A 61 -6.910 -8.583 2.836 1.00 2.41 H new ATOM 995 N GLN A 62 -6.192 -4.696 4.899 1.00 10.20 N ATOM 996 CA GLN A 62 -5.955 -3.611 5.845 1.00 75.40 C ATOM 997 C GLN A 62 -5.457 -2.359 5.131 1.00 52.40 C ATOM 998 O GLN A 62 -5.824 -1.240 5.490 1.00 74.40 O ATOM 999 CB GLN A 62 -4.941 -4.046 6.905 1.00 3.21 C ATOM 1000 CG GLN A 62 -5.209 -3.456 8.280 1.00 13.10 C ATOM 1001 CD GLN A 62 -6.309 -4.189 9.024 1.00 50.30 C ATOM 1002 OE1 GLN A 62 -6.324 -5.418 9.080 1.00 54.40 O ATOM 1003 NE2 GLN A 62 -7.238 -3.434 9.598 1.00 31.20 N ATOM 0 H GLN A 62 -5.484 -5.430 4.912 1.00 10.20 H new ATOM 0 HA GLN A 62 -6.902 -3.374 6.330 1.00 75.40 H new ATOM 0 HB2 GLN A 62 -4.947 -5.134 6.978 1.00 3.21 H new ATOM 0 HB3 GLN A 62 -3.942 -3.754 6.582 1.00 3.21 H new ATOM 0 HG2 GLN A 62 -4.293 -3.488 8.870 1.00 13.10 H new ATOM 0 HG3 GLN A 62 -5.484 -2.407 8.174 1.00 13.10 H new ATOM 0 HE21 GLN A 62 -7.186 -2.418 9.526 1.00 31.20 H new ATOM 0 HE22 GLN A 62 -8.004 -3.870 10.111 1.00 31.20 H new ATOM 1012 N TYR A 63 -4.618 -2.555 4.119 1.00 25.00 N ATOM 1013 CA TYR A 63 -4.067 -1.440 3.356 1.00 50.40 C ATOM 1014 C TYR A 63 -5.143 -0.776 2.503 1.00 74.20 C ATOM 1015 O TYR A 63 -5.142 0.442 2.322 1.00 52.20 O ATOM 1016 CB TYR A 63 -2.920 -1.922 2.467 1.00 13.10 C ATOM 1017 CG TYR A 63 -1.618 -2.118 3.212 1.00 11.20 C ATOM 1018 CD1 TYR A 63 -1.117 -1.127 4.046 1.00 44.40 C ATOM 1019 CD2 TYR A 63 -0.892 -3.296 3.081 1.00 51.40 C ATOM 1020 CE1 TYR A 63 0.072 -1.302 4.728 1.00 31.20 C ATOM 1021 CE2 TYR A 63 0.298 -3.479 3.761 1.00 0.24 C ATOM 1022 CZ TYR A 63 0.775 -2.480 4.583 1.00 71.20 C ATOM 1023 OH TYR A 63 1.959 -2.658 5.261 1.00 42.10 O ATOM 0 H TYR A 63 -4.305 -3.475 3.808 1.00 25.00 H new ATOM 0 HA TYR A 63 -3.686 -0.703 4.063 1.00 50.40 H new ATOM 0 HB2 TYR A 63 -3.206 -2.863 1.998 1.00 13.10 H new ATOM 0 HB3 TYR A 63 -2.765 -1.200 1.665 1.00 13.10 H new ATOM 0 HD1 TYR A 63 -1.666 -0.204 4.163 1.00 44.40 H new ATOM 0 HD2 TYR A 63 -1.263 -4.081 2.438 1.00 51.40 H new ATOM 0 HE1 TYR A 63 0.449 -0.521 5.371 1.00 31.20 H new ATOM 0 HE2 TYR A 63 0.851 -4.400 3.649 1.00 0.24 H new ATOM 0 HH TYR A 63 2.327 -3.541 5.050 1.00 42.10 H new ATOM 1033 N LEU A 64 -6.060 -1.583 1.979 1.00 72.30 N ATOM 1034 CA LEU A 64 -7.140 -1.073 1.143 1.00 53.30 C ATOM 1035 C LEU A 64 -8.148 -0.281 1.971 1.00 64.00 C ATOM 1036 O LEU A 64 -8.783 0.647 1.472 1.00 51.40 O ATOM 1037 CB LEU A 64 -7.847 -2.226 0.428 1.00 53.00 C ATOM 1038 CG LEU A 64 -7.217 -2.649 -0.900 1.00 11.10 C ATOM 1039 CD1 LEU A 64 -7.587 -4.086 -1.233 1.00 73.40 C ATOM 1040 CD2 LEU A 64 -7.650 -1.712 -2.018 1.00 24.10 C ATOM 0 H LEU A 64 -6.076 -2.593 2.119 1.00 72.30 H new ATOM 0 HA LEU A 64 -6.703 -0.404 0.401 1.00 53.30 H new ATOM 0 HB2 LEU A 64 -7.867 -3.089 1.094 1.00 53.00 H new ATOM 0 HB3 LEU A 64 -8.883 -1.940 0.246 1.00 53.00 H new ATOM 0 HG LEU A 64 -6.133 -2.588 -0.801 1.00 11.10 H new ATOM 0 HD11 LEU A 64 -7.130 -4.369 -2.181 1.00 73.40 H new ATOM 0 HD12 LEU A 64 -7.226 -4.747 -0.445 1.00 73.40 H new ATOM 0 HD13 LEU A 64 -8.671 -4.174 -1.312 1.00 73.40 H new ATOM 0 HD21 LEU A 64 -7.192 -2.028 -2.955 1.00 24.10 H new ATOM 0 HD22 LEU A 64 -8.735 -1.740 -2.116 1.00 24.10 H new ATOM 0 HD23 LEU A 64 -7.333 -0.696 -1.784 1.00 24.10 H new ATOM 1052 N ASP A 65 -8.290 -0.655 3.239 1.00 23.10 N ATOM 1053 CA ASP A 65 -9.223 0.019 4.135 1.00 43.40 C ATOM 1054 C ASP A 65 -8.683 1.379 4.567 1.00 5.31 C ATOM 1055 O ASP A 65 -9.449 2.304 4.834 1.00 62.30 O ATOM 1056 CB ASP A 65 -9.496 -0.849 5.365 1.00 0.43 C ATOM 1057 CG ASP A 65 -10.950 -0.833 5.771 1.00 71.00 C ATOM 1058 OD1 ASP A 65 -11.790 -1.355 5.002 1.00 74.40 O ATOM 1059 OD2 ASP A 65 -11.260 -0.300 6.857 1.00 11.50 O ATOM 0 H ASP A 65 -7.771 -1.421 3.669 1.00 23.10 H new ATOM 0 HA ASP A 65 -10.156 0.177 3.594 1.00 43.40 H new ATOM 0 HB2 ASP A 65 -9.191 -1.875 5.157 1.00 0.43 H new ATOM 0 HB3 ASP A 65 -8.886 -0.497 6.197 1.00 0.43 H new ATOM 1064 N ARG A 66 -7.361 1.493 4.636 1.00 34.50 N ATOM 1065 CA ARG A 66 -6.722 2.741 5.038 1.00 53.40 C ATOM 1066 C ARG A 66 -6.806 3.784 3.926 1.00 61.00 C ATOM 1067 O ARG A 66 -7.138 4.943 4.173 1.00 55.10 O ATOM 1068 CB ARG A 66 -5.259 2.492 5.408 1.00 51.20 C ATOM 1069 CG ARG A 66 -5.070 1.977 6.826 1.00 74.30 C ATOM 1070 CD ARG A 66 -3.891 2.646 7.513 1.00 21.30 C ATOM 1071 NE ARG A 66 -4.273 3.901 8.157 1.00 32.00 N ATOM 1072 CZ ARG A 66 -3.442 4.644 8.886 1.00 30.30 C ATOM 1073 NH1 ARG A 66 -2.184 4.262 9.065 1.00 63.20 N ATOM 1074 NH2 ARG A 66 -3.871 5.771 9.435 1.00 70.30 N ATOM 0 H ARG A 66 -6.711 0.737 4.419 1.00 34.50 H new ATOM 0 HA ARG A 66 -7.252 3.125 5.910 1.00 53.40 H new ATOM 0 HB2 ARG A 66 -4.833 1.772 4.709 1.00 51.20 H new ATOM 0 HB3 ARG A 66 -4.700 3.420 5.290 1.00 51.20 H new ATOM 0 HG2 ARG A 66 -5.977 2.157 7.403 1.00 74.30 H new ATOM 0 HG3 ARG A 66 -4.915 0.898 6.804 1.00 74.30 H new ATOM 0 HD2 ARG A 66 -3.473 1.969 8.258 1.00 21.30 H new ATOM 0 HD3 ARG A 66 -3.106 2.838 6.781 1.00 21.30 H new ATOM 0 HE ARG A 66 -5.233 4.227 8.041 1.00 32.00 H new ATOM 0 HH11 ARG A 66 -1.849 3.396 8.643 1.00 63.20 H new ATOM 0 HH12 ARG A 66 -1.552 4.835 9.624 1.00 63.20 H new ATOM 0 HH21 ARG A 66 -4.837 6.069 9.299 1.00 70.30 H new ATOM 0 HH22 ARG A 66 -3.235 6.341 9.993 1.00 70.30 H new ATOM 1088 N ALA A 67 -6.501 3.364 2.703 1.00 31.50 N ATOM 1089 CA ALA A 67 -6.540 4.262 1.554 1.00 40.40 C ATOM 1090 C ALA A 67 -7.929 4.865 1.369 1.00 2.52 C ATOM 1091 O ALA A 67 -8.071 5.978 0.866 1.00 24.10 O ATOM 1092 CB ALA A 67 -6.113 3.524 0.294 1.00 20.40 C ATOM 0 H ALA A 67 -6.224 2.408 2.482 1.00 31.50 H new ATOM 0 HA ALA A 67 -5.842 5.078 1.741 1.00 40.40 H new ATOM 0 HB1 ALA A 67 -6.147 4.206 -0.556 1.00 20.40 H new ATOM 0 HB2 ALA A 67 -5.097 3.149 0.419 1.00 20.40 H new ATOM 0 HB3 ALA A 67 -6.789 2.688 0.115 1.00 20.40 H new ATOM 1098 N GLU A 68 -8.953 4.121 1.778 1.00 45.30 N ATOM 1099 CA GLU A 68 -10.330 4.584 1.655 1.00 52.00 C ATOM 1100 C GLU A 68 -10.630 5.684 2.670 1.00 62.40 C ATOM 1101 O GLU A 68 -11.260 6.688 2.342 1.00 31.20 O ATOM 1102 CB GLU A 68 -11.300 3.418 1.848 1.00 3.33 C ATOM 1103 CG GLU A 68 -11.560 2.633 0.574 1.00 74.20 C ATOM 1104 CD GLU A 68 -12.480 3.369 -0.383 1.00 54.00 C ATOM 1105 OE1 GLU A 68 -12.420 4.615 -0.421 1.00 2.24 O ATOM 1106 OE2 GLU A 68 -13.260 2.699 -1.093 1.00 73.40 O ATOM 0 H GLU A 68 -8.854 3.196 2.197 1.00 45.30 H new ATOM 0 HA GLU A 68 -10.460 4.995 0.654 1.00 52.00 H new ATOM 0 HB2 GLU A 68 -10.900 2.744 2.606 1.00 3.33 H new ATOM 0 HB3 GLU A 68 -12.246 3.802 2.229 1.00 3.33 H new ATOM 0 HG2 GLU A 68 -10.612 2.429 0.077 1.00 74.20 H new ATOM 0 HG3 GLU A 68 -12.001 1.669 0.828 1.00 74.20 H new ATOM 1113 N LYS A 69 -10.170 5.486 3.902 1.00 52.30 N ATOM 1114 CA LYS A 69 -10.390 6.460 4.965 1.00 52.20 C ATOM 1115 C LYS A 69 -9.664 7.767 4.672 1.00 13.50 C ATOM 1116 O LYS A 69 -10.100 8.841 5.080 1.00 14.20 O ATOM 1117 CB LYS A 69 -9.931 5.893 6.307 1.00 41.30 C ATOM 1118 CG LYS A 69 -10.650 6.485 7.504 1.00 73.30 C ATOM 1119 CD LYS A 69 -9.834 7.568 8.182 1.00 73.30 C ATOM 1120 CE LYS A 69 -9.823 7.398 9.693 1.00 52.10 C ATOM 1121 NZ LYS A 69 -8.722 8.172 10.331 1.00 2.24 N ATOM 0 H LYS A 69 -9.643 4.661 4.188 1.00 52.30 H new ATOM 0 HA LYS A 69 -11.459 6.669 5.014 1.00 52.20 H new ATOM 0 HB2 LYS A 69 -10.080 4.813 6.304 1.00 41.30 H new ATOM 0 HB3 LYS A 69 -8.861 6.067 6.416 1.00 41.30 H new ATOM 0 HG2 LYS A 69 -11.606 6.899 7.184 1.00 73.30 H new ATOM 0 HG3 LYS A 69 -10.870 5.695 8.222 1.00 73.30 H new ATOM 0 HD2 LYS A 69 -8.812 7.543 7.805 1.00 73.30 H new ATOM 0 HD3 LYS A 69 -10.244 8.546 7.928 1.00 73.30 H new ATOM 0 HE2 LYS A 69 -10.780 7.723 10.102 1.00 52.10 H new ATOM 0 HE3 LYS A 69 -9.714 6.342 9.939 1.00 52.10 H new ATOM 0 HZ1 LYS A 69 -8.749 8.030 11.361 1.00 2.24 H new ATOM 0 HZ2 LYS A 69 -7.807 7.845 9.960 1.00 2.24 H new ATOM 0 HZ3 LYS A 69 -8.840 9.183 10.118 1.00 2.24 H new ATOM 1135 N LEU A 70 -8.543 7.666 3.963 1.00 61.40 N ATOM 1136 CA LEU A 70 -7.749 8.840 3.618 1.00 51.10 C ATOM 1137 C LEU A 70 -8.474 9.711 2.596 1.00 31.20 C ATOM 1138 O LEU A 70 -8.436 10.939 2.674 1.00 4.25 O ATOM 1139 CB LEU A 70 -6.388 8.414 3.067 1.00 31.10 C ATOM 1140 CG LEU A 70 -5.500 7.648 4.050 1.00 50.20 C ATOM 1141 CD1 LEU A 70 -4.367 6.950 3.314 1.00 71.30 C ATOM 1142 CD2 LEU A 70 -4.950 8.588 5.112 1.00 12.10 C ATOM 0 H LEU A 70 -8.165 6.784 3.617 1.00 61.40 H new ATOM 0 HA LEU A 70 -7.601 9.426 4.525 1.00 51.10 H new ATOM 0 HB2 LEU A 70 -6.549 7.792 2.186 1.00 31.10 H new ATOM 0 HB3 LEU A 70 -5.853 9.304 2.736 1.00 31.10 H new ATOM 0 HG LEU A 70 -6.106 6.888 4.543 1.00 50.20 H new ATOM 0 HD11 LEU A 70 -3.746 6.411 4.029 1.00 71.30 H new ATOM 0 HD12 LEU A 70 -4.781 6.247 2.591 1.00 71.30 H new ATOM 0 HD13 LEU A 70 -3.760 7.691 2.793 1.00 71.30 H new ATOM 0 HD21 LEU A 70 -4.321 8.028 5.803 1.00 12.10 H new ATOM 0 HD22 LEU A 70 -4.359 9.370 4.635 1.00 12.10 H new ATOM 0 HD23 LEU A 70 -5.776 9.041 5.660 1.00 12.10 H new ATOM 1154 N LYS A 71 -9.128 9.067 1.635 1.00 2.44 N ATOM 1155 CA LYS A 71 -9.858 9.784 0.594 1.00 43.30 C ATOM 1156 C LYS A 71 -11.140 10.399 1.147 1.00 52.40 C ATOM 1157 O LYS A 71 -11.480 11.539 0.828 1.00 31.10 O ATOM 1158 CB LYS A 71 -10.190 8.842 -0.564 1.00 42.20 C ATOM 1159 CG LYS A 71 -10.120 9.509 -1.929 1.00 33.20 C ATOM 1160 CD LYS A 71 -11.280 9.077 -2.814 1.00 71.40 C ATOM 1161 CE LYS A 71 -10.850 8.928 -4.265 1.00 22.10 C ATOM 1162 NZ LYS A 71 -11.960 9.246 -5.209 1.00 33.10 N ATOM 0 H LYS A 71 -9.168 8.051 1.555 1.00 2.44 H new ATOM 0 HA LYS A 71 -9.220 10.590 0.230 1.00 43.30 H new ATOM 0 HB2 LYS A 71 -9.500 7.999 -0.545 1.00 42.20 H new ATOM 0 HB3 LYS A 71 -11.192 8.438 -0.417 1.00 42.20 H new ATOM 0 HG2 LYS A 71 -10.135 10.592 -1.808 1.00 33.20 H new ATOM 0 HG3 LYS A 71 -9.177 9.255 -2.412 1.00 33.20 H new ATOM 0 HD2 LYS A 71 -11.681 8.130 -2.453 1.00 71.40 H new ATOM 0 HD3 LYS A 71 -12.084 9.810 -2.745 1.00 71.40 H new ATOM 0 HE2 LYS A 71 -10.005 9.587 -4.463 1.00 22.10 H new ATOM 0 HE3 LYS A 71 -10.506 7.908 -4.439 1.00 22.10 H new ATOM 0 HZ1 LYS A 71 -11.627 9.133 -6.188 1.00 33.10 H new ATOM 0 HZ2 LYS A 71 -12.757 8.600 -5.038 1.00 33.10 H new ATOM 0 HZ3 LYS A 71 -12.271 10.227 -5.061 1.00 33.10 H new ATOM 1176 N ASP A 72 -11.840 9.637 1.972 1.00 31.10 N ATOM 1177 CA ASP A 72 -13.090 10.104 2.568 1.00 72.30 C ATOM 1178 C ASP A 72 -12.870 11.367 3.396 1.00 51.20 C ATOM 1179 O ASP A 72 -13.770 12.191 3.543 1.00 55.20 O ATOM 1180 CB ASP A 72 -13.700 9.008 3.441 1.00 21.00 C ATOM 1181 CG ASP A 72 -14.790 8.240 2.721 1.00 41.10 C ATOM 1182 OD1 ASP A 72 -14.470 7.464 1.799 1.00 3.52 O ATOM 1183 OD2 ASP A 72 -15.980 8.413 3.080 1.00 70.30 O ATOM 0 H ASP A 72 -11.568 8.693 2.246 1.00 31.10 H new ATOM 0 HA ASP A 72 -13.779 10.344 1.758 1.00 72.30 H new ATOM 0 HB2 ASP A 72 -12.917 8.317 3.753 1.00 21.00 H new ATOM 0 HB3 ASP A 72 -14.111 9.454 4.347 1.00 21.00 H new ATOM 1188 N TYR A 73 -11.670 11.510 3.945 1.00 10.00 N ATOM 1189 CA TYR A 73 -11.340 12.669 4.769 1.00 52.40 C ATOM 1190 C TYR A 73 -11.000 13.888 3.912 1.00 32.10 C ATOM 1191 O TYR A 73 -11.530 14.978 4.136 1.00 34.00 O ATOM 1192 CB TYR A 73 -10.160 12.340 5.688 1.00 40.10 C ATOM 1193 CG TYR A 73 -9.744 13.490 6.576 1.00 64.30 C ATOM 1194 CD1 TYR A 73 -8.933 14.509 6.090 1.00 13.30 C ATOM 1195 CD2 TYR A 73 -10.160 13.557 7.900 1.00 64.40 C ATOM 1196 CE1 TYR A 73 -8.549 15.562 6.899 1.00 42.50 C ATOM 1197 CE2 TYR A 73 -9.779 14.607 8.714 1.00 4.33 C ATOM 1198 CZ TYR A 73 -8.974 15.606 8.210 1.00 1.32 C ATOM 1199 OH TYR A 73 -8.593 16.653 9.017 1.00 41.20 O ATOM 0 H TYR A 73 -10.909 10.839 3.836 1.00 10.00 H new ATOM 0 HA TYR A 73 -12.217 12.911 5.369 1.00 52.40 H new ATOM 0 HB2 TYR A 73 -10.424 11.487 6.313 1.00 40.10 H new ATOM 0 HB3 TYR A 73 -9.309 12.037 5.078 1.00 40.10 H new ATOM 0 HD1 TYR A 73 -8.598 14.477 5.064 1.00 13.30 H new ATOM 0 HD2 TYR A 73 -10.791 12.777 8.299 1.00 64.40 H new ATOM 0 HE1 TYR A 73 -7.919 16.346 6.506 1.00 42.50 H new ATOM 0 HE2 TYR A 73 -10.111 14.645 9.741 1.00 4.33 H new ATOM 0 HH TYR A 73 -8.978 16.534 9.910 1.00 41.20 H new ATOM 1209 N LEU A 74 -10.110 13.704 2.940 1.00 23.30 N ATOM 1210 CA LEU A 74 -9.707 14.798 2.065 1.00 70.30 C ATOM 1211 C LEU A 74 -10.870 15.315 1.227 1.00 64.50 C ATOM 1212 O LEU A 74 -11.000 16.520 1.007 1.00 44.10 O ATOM 1213 CB LEU A 74 -8.565 14.351 1.150 1.00 43.40 C ATOM 1214 CG LEU A 74 -8.845 13.097 0.320 1.00 73.40 C ATOM 1215 CD1 LEU A 74 -9.628 13.450 -0.937 1.00 70.40 C ATOM 1216 CD2 LEU A 74 -7.543 12.397 -0.039 1.00 31.20 C ATOM 0 H LEU A 74 -9.657 12.812 2.740 1.00 23.30 H new ATOM 0 HA LEU A 74 -9.366 15.615 2.701 1.00 70.30 H new ATOM 0 HB2 LEU A 74 -8.323 15.169 0.472 1.00 43.40 H new ATOM 0 HB3 LEU A 74 -7.680 14.172 1.761 1.00 43.40 H new ATOM 0 HG LEU A 74 -9.450 12.415 0.918 1.00 73.40 H new ATOM 0 HD11 LEU A 74 -9.817 12.545 -1.514 1.00 70.40 H new ATOM 0 HD12 LEU A 74 -10.577 13.908 -0.658 1.00 70.40 H new ATOM 0 HD13 LEU A 74 -9.051 14.151 -1.540 1.00 70.40 H new ATOM 0 HD21 LEU A 74 -7.759 11.507 -0.629 1.00 31.20 H new ATOM 0 HD22 LEU A 74 -6.914 13.073 -0.619 1.00 31.20 H new ATOM 0 HD23 LEU A 74 -7.021 12.109 0.874 1.00 31.20 H new ATOM 1228 N ARG A 75 -11.720 14.405 0.758 1.00 53.40 N ATOM 1229 CA ARG A 75 -12.860 14.790 -0.059 1.00 24.50 C ATOM 1230 C ARG A 75 -13.890 15.565 0.767 1.00 21.30 C ATOM 1231 O ARG A 75 -14.590 16.429 0.247 1.00 43.20 O ATOM 1232 CB ARG A 75 -13.510 13.554 -0.691 1.00 43.30 C ATOM 1233 CG ARG A 75 -14.310 12.695 0.286 1.00 72.40 C ATOM 1234 CD ARG A 75 -15.350 11.853 -0.433 1.00 24.30 C ATOM 1235 NE ARG A 75 -14.870 10.501 -0.707 1.00 43.00 N ATOM 1236 CZ ARG A 75 -15.410 9.686 -1.606 1.00 43.10 C ATOM 1237 NH1 ARG A 75 -16.460 10.084 -2.322 1.00 34.40 N ATOM 1238 NH2 ARG A 75 -14.920 8.472 -1.791 1.00 62.40 N ATOM 0 H ARG A 75 -11.639 13.403 0.930 1.00 53.40 H new ATOM 0 HA ARG A 75 -12.499 15.442 -0.854 1.00 24.50 H new ATOM 0 HB2 ARG A 75 -14.169 13.877 -1.497 1.00 43.30 H new ATOM 0 HB3 ARG A 75 -12.731 12.940 -1.143 1.00 43.30 H new ATOM 0 HG2 ARG A 75 -13.632 12.044 0.838 1.00 72.40 H new ATOM 0 HG3 ARG A 75 -14.802 13.337 1.017 1.00 72.40 H new ATOM 0 HD2 ARG A 75 -16.255 11.800 0.173 1.00 24.30 H new ATOM 0 HD3 ARG A 75 -15.622 12.337 -1.371 1.00 24.30 H new ATOM 0 HE ARG A 75 -14.069 10.161 -0.174 1.00 43.00 H new ATOM 0 HH11 ARG A 75 -16.850 11.016 -2.180 1.00 34.40 H new ATOM 0 HH12 ARG A 75 -16.874 9.457 -3.012 1.00 34.40 H new ATOM 0 HH21 ARG A 75 -14.121 8.155 -1.241 1.00 62.40 H new ATOM 0 HH22 ARG A 75 -15.341 7.852 -2.483 1.00 62.40 H new ATOM 1252 N SER A 76 -13.960 15.250 2.056 1.00 40.10 N ATOM 1253 CA SER A 76 -14.900 15.917 2.953 1.00 4.53 C ATOM 1254 C SER A 76 -14.600 17.411 3.038 1.00 40.30 C ATOM 1255 O SER A 76 -15.490 18.244 2.883 1.00 50.20 O ATOM 1256 CB SER A 76 -14.840 15.292 4.347 1.00 42.40 C ATOM 1257 OG SER A 76 -15.780 14.241 4.477 1.00 71.30 O ATOM 0 H SER A 76 -13.380 14.540 2.503 1.00 40.10 H new ATOM 0 HA SER A 76 -15.904 15.787 2.550 1.00 4.53 H new ATOM 0 HB2 SER A 76 -13.836 14.911 4.535 1.00 42.40 H new ATOM 0 HB3 SER A 76 -15.037 16.055 5.100 1.00 42.40 H new ATOM 0 HG SER A 76 -15.366 13.396 4.201 1.00 71.30 H new