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 21:sc= 0.17 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.15 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= -0.587 K(o=-0.59,f=-2.8!) 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=0.062) USER MOD Single : A 34 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0.035) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.6) 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 82:sc= 0.389 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 160:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.811 -7.473 -5.569 1.00 65.10 N ATOM 60 CA THR A 5 8.479 -6.881 -5.613 1.00 54.30 C ATOM 61 C THR A 5 7.951 -6.628 -4.204 1.00 33.50 C ATOM 62 O THR A 5 7.204 -5.677 -3.972 1.00 13.50 O ATOM 63 CB THR A 5 7.517 -7.793 -6.374 1.00 24.20 C ATOM 64 OG1 THR A 5 8.068 -8.171 -7.623 1.00 41.20 O ATOM 65 CG2 THR A 5 6.170 -7.154 -6.641 1.00 64.40 C ATOM 0 HA THR A 5 8.550 -5.926 -6.133 1.00 54.30 H new ATOM 0 HB THR A 5 7.368 -8.659 -5.729 1.00 24.20 H new ATOM 0 HG1 THR A 5 9.042 -8.065 -7.596 1.00 41.20 H new ATOM 0 HG21 THR A 5 5.536 -7.855 -7.184 1.00 64.40 H new ATOM 0 HG22 THR A 5 5.696 -6.895 -5.694 1.00 64.40 H new ATOM 0 HG23 THR A 5 6.307 -6.252 -7.237 1.00 64.40 H new ATOM 73 N LEU A 6 8.345 -7.485 -3.267 1.00 44.40 N ATOM 74 CA LEU A 6 7.911 -7.353 -1.881 1.00 14.00 C ATOM 75 C LEU A 6 8.604 -6.176 -1.203 1.00 32.40 C ATOM 76 O LEU A 6 8.023 -5.513 -0.343 1.00 13.10 O ATOM 77 CB LEU A 6 8.200 -8.644 -1.110 1.00 22.50 C ATOM 78 CG LEU A 6 7.031 -9.628 -1.034 1.00 4.01 C ATOM 79 CD1 LEU A 6 5.888 -9.038 -0.224 1.00 71.00 C ATOM 80 CD2 LEU A 6 6.560 -10.000 -2.431 1.00 22.40 C ATOM 0 H LEU A 6 8.963 -8.277 -3.442 1.00 44.40 H new ATOM 0 HA LEU A 6 6.837 -7.168 -1.878 1.00 14.00 H new ATOM 0 HB2 LEU A 6 9.048 -9.146 -1.576 1.00 22.50 H new ATOM 0 HB3 LEU A 6 8.502 -8.384 -0.096 1.00 22.50 H new ATOM 0 HG LEU A 6 7.373 -10.533 -0.533 1.00 4.01 H new ATOM 0 HD11 LEU A 6 5.066 -9.752 -0.181 1.00 71.00 H new ATOM 0 HD12 LEU A 6 6.233 -8.820 0.787 1.00 71.00 H new ATOM 0 HD13 LEU A 6 5.545 -8.118 -0.696 1.00 71.00 H new ATOM 0 HD21 LEU A 6 5.728 -10.701 -2.360 1.00 22.40 H new ATOM 0 HD22 LEU A 6 6.234 -9.102 -2.956 1.00 22.40 H new ATOM 0 HD23 LEU A 6 7.379 -10.464 -2.980 1.00 22.40 H new ATOM 92 N GLN A 7 9.848 -5.921 -1.596 1.00 62.10 N ATOM 93 CA GLN A 7 10.620 -4.823 -1.025 1.00 64.30 C ATOM 94 C GLN A 7 10.103 -3.477 -1.522 1.00 53.20 C ATOM 95 O GLN A 7 10.174 -2.473 -0.813 1.00 41.40 O ATOM 96 CB GLN A 7 12.100 -4.976 -1.378 1.00 23.30 C ATOM 97 CG GLN A 7 13.025 -4.167 -0.484 1.00 5.05 C ATOM 98 CD GLN A 7 13.735 -5.023 0.548 1.00 3.22 C ATOM 99 OE1 GLN A 7 14.717 -5.698 0.242 1.00 72.50 O ATOM 100 NE2 GLN A 7 13.238 -4.998 1.779 1.00 61.10 N ATOM 0 H GLN A 7 10.343 -6.459 -2.307 1.00 62.10 H new ATOM 0 HA GLN A 7 10.506 -4.857 0.059 1.00 64.30 H new ATOM 0 HB2 GLN A 7 12.374 -6.029 -1.312 1.00 23.30 H new ATOM 0 HB3 GLN A 7 12.251 -4.672 -2.414 1.00 23.30 H new ATOM 0 HG2 GLN A 7 13.766 -3.658 -1.100 1.00 5.05 H new ATOM 0 HG3 GLN A 7 12.448 -3.394 0.025 1.00 5.05 H new ATOM 0 HE21 GLN A 7 12.422 -4.423 1.988 1.00 61.10 H new ATOM 0 HE22 GLN A 7 13.673 -5.553 2.516 1.00 61.10 H new ATOM 109 N LYS A 8 9.583 -3.463 -2.745 1.00 24.10 N ATOM 110 CA LYS A 8 9.054 -2.239 -3.338 1.00 0.32 C ATOM 111 C LYS A 8 7.730 -1.848 -2.689 1.00 61.20 C ATOM 112 O LYS A 8 7.459 -0.667 -2.472 1.00 14.30 O ATOM 113 CB LYS A 8 8.862 -2.419 -4.845 1.00 41.30 C ATOM 114 CG LYS A 8 10.087 -2.046 -5.663 1.00 61.20 C ATOM 115 CD LYS A 8 9.699 -1.509 -7.031 1.00 64.20 C ATOM 116 CE LYS A 8 10.658 -1.987 -8.109 1.00 34.20 C ATOM 117 NZ LYS A 8 10.859 -0.961 -9.170 1.00 25.40 N ATOM 0 H LYS A 8 9.516 -4.285 -3.345 1.00 24.10 H new ATOM 0 HA LYS A 8 9.774 -1.440 -3.163 1.00 0.32 H new ATOM 0 HB2 LYS A 8 8.602 -3.458 -5.048 1.00 41.30 H new ATOM 0 HB3 LYS A 8 8.019 -1.810 -5.171 1.00 41.30 H new ATOM 0 HG2 LYS A 8 10.669 -1.296 -5.128 1.00 61.20 H new ATOM 0 HG3 LYS A 8 10.727 -2.920 -5.782 1.00 61.20 H new ATOM 0 HD2 LYS A 8 8.686 -1.830 -7.275 1.00 64.20 H new ATOM 0 HD3 LYS A 8 9.691 -0.419 -7.007 1.00 64.20 H new ATOM 0 HE2 LYS A 8 11.618 -2.234 -7.657 1.00 34.20 H new ATOM 0 HE3 LYS A 8 10.272 -2.902 -8.558 1.00 34.20 H new ATOM 0 HZ1 LYS A 8 11.519 -1.326 -9.886 1.00 25.40 H new ATOM 0 HZ2 LYS A 8 9.947 -0.743 -9.620 1.00 25.40 H new ATOM 0 HZ3 LYS A 8 11.251 -0.096 -8.747 1.00 25.40 H new ATOM 131 N ALA A 9 6.909 -2.846 -2.382 1.00 2.11 N ATOM 132 CA ALA A 9 5.612 -2.606 -1.760 1.00 1.04 C ATOM 133 C ALA A 9 5.773 -1.954 -0.390 1.00 21.40 C ATOM 134 O ALA A 9 4.957 -1.127 0.014 1.00 52.20 O ATOM 135 CB ALA A 9 4.836 -3.908 -1.638 1.00 1.23 C ATOM 0 H ALA A 9 7.119 -3.829 -2.554 1.00 2.11 H new ATOM 0 HA ALA A 9 5.053 -1.921 -2.397 1.00 1.04 H new ATOM 0 HB1 ALA A 9 3.870 -3.714 -1.172 1.00 1.23 H new ATOM 0 HB2 ALA A 9 4.681 -4.334 -2.629 1.00 1.23 H new ATOM 0 HB3 ALA A 9 5.400 -4.611 -1.025 1.00 1.23 H new ATOM 141 N ILE A 10 6.831 -2.334 0.320 1.00 62.20 N ATOM 142 CA ILE A 10 7.097 -1.786 1.644 1.00 34.20 C ATOM 143 C ILE A 10 7.565 -0.337 1.557 1.00 55.10 C ATOM 144 O ILE A 10 7.322 0.460 2.463 1.00 15.40 O ATOM 145 CB ILE A 10 8.161 -2.614 2.392 1.00 44.20 C ATOM 146 CG1 ILE A 10 7.796 -4.100 2.366 1.00 14.20 C ATOM 147 CG2 ILE A 10 8.306 -2.125 3.825 1.00 43.50 C ATOM 148 CD1 ILE A 10 8.988 -5.019 2.522 1.00 24.30 C ATOM 0 H ILE A 10 7.517 -3.018 0.000 1.00 62.20 H new ATOM 0 HA ILE A 10 6.159 -1.829 2.197 1.00 34.20 H new ATOM 0 HB ILE A 10 9.118 -2.485 1.887 1.00 44.20 H new ATOM 0 HG12 ILE A 10 7.083 -4.305 3.165 1.00 14.20 H new ATOM 0 HG13 ILE A 10 7.294 -4.326 1.425 1.00 14.20 H new ATOM 0 HG21 ILE A 10 9.061 -2.721 4.338 1.00 43.50 H new ATOM 0 HG22 ILE A 10 8.609 -1.078 3.823 1.00 43.50 H new ATOM 0 HG23 ILE A 10 7.352 -2.225 4.342 1.00 43.50 H new ATOM 0 HD11 ILE A 10 8.654 -6.056 2.494 1.00 24.30 H new ATOM 0 HD12 ILE A 10 9.692 -4.843 1.709 1.00 24.30 H new ATOM 0 HD13 ILE A 10 9.478 -4.821 3.475 1.00 24.30 H new ATOM 160 N ASP A 11 8.239 -0.002 0.461 1.00 30.20 N ATOM 161 CA ASP A 11 8.741 1.352 0.255 1.00 13.10 C ATOM 162 C ASP A 11 7.593 2.333 0.046 1.00 14.20 C ATOM 163 O ASP A 11 7.685 3.502 0.422 1.00 52.20 O ATOM 164 CB ASP A 11 9.687 1.389 -0.947 1.00 60.50 C ATOM 165 CG ASP A 11 11.147 1.357 -0.537 1.00 14.40 C ATOM 166 OD1 ASP A 11 11.712 2.438 -0.271 1.00 4.45 O ATOM 167 OD2 ASP A 11 11.722 0.250 -0.479 1.00 43.20 O ATOM 0 H ASP A 11 8.450 -0.650 -0.298 1.00 30.20 H new ATOM 0 HA ASP A 11 9.289 1.650 1.149 1.00 13.10 H new ATOM 0 HB2 ASP A 11 9.477 0.540 -1.597 1.00 60.50 H new ATOM 0 HB3 ASP A 11 9.496 2.291 -1.528 1.00 60.50 H new ATOM 172 N LEU A 12 6.511 1.852 -0.556 1.00 4.34 N ATOM 173 CA LEU A 12 5.344 2.688 -0.816 1.00 15.10 C ATOM 174 C LEU A 12 4.578 2.971 0.472 1.00 50.10 C ATOM 175 O LEU A 12 3.986 4.039 0.631 1.00 3.24 O ATOM 176 CB LEU A 12 4.422 2.009 -1.832 1.00 12.40 C ATOM 177 CG LEU A 12 4.739 2.314 -3.297 1.00 44.20 C ATOM 178 CD1 LEU A 12 4.608 3.804 -3.573 1.00 73.40 C ATOM 179 CD2 LEU A 12 6.134 1.824 -3.652 1.00 51.20 C ATOM 0 H LEU A 12 6.417 0.887 -0.873 1.00 4.34 H new ATOM 0 HA LEU A 12 5.692 3.636 -1.226 1.00 15.10 H new ATOM 0 HB2 LEU A 12 4.472 0.931 -1.682 1.00 12.40 H new ATOM 0 HB3 LEU A 12 3.395 2.312 -1.627 1.00 12.40 H new ATOM 0 HG LEU A 12 4.020 1.786 -3.923 1.00 44.20 H new ATOM 0 HD11 LEU A 12 4.837 4.002 -4.620 1.00 73.40 H new ATOM 0 HD12 LEU A 12 3.589 4.126 -3.358 1.00 73.40 H new ATOM 0 HD13 LEU A 12 5.304 4.354 -2.939 1.00 73.40 H new ATOM 0 HD21 LEU A 12 6.343 2.049 -4.698 1.00 51.20 H new ATOM 0 HD22 LEU A 12 6.867 2.324 -3.019 1.00 51.20 H new ATOM 0 HD23 LEU A 12 6.193 0.747 -3.494 1.00 51.20 H new ATOM 191 N VAL A 13 4.594 2.010 1.388 1.00 31.40 N ATOM 192 CA VAL A 13 3.900 2.156 2.663 1.00 70.30 C ATOM 193 C VAL A 13 4.667 3.081 3.603 1.00 73.40 C ATOM 194 O VAL A 13 4.072 3.763 4.439 1.00 61.10 O ATOM 195 CB VAL A 13 3.700 0.794 3.352 1.00 44.40 C ATOM 196 CG1 VAL A 13 2.822 0.942 4.587 1.00 14.30 C ATOM 197 CG2 VAL A 13 3.100 -0.213 2.381 1.00 3.45 C ATOM 0 H VAL A 13 5.080 1.121 1.272 1.00 31.40 H new ATOM 0 HA VAL A 13 2.925 2.591 2.445 1.00 70.30 H new ATOM 0 HB VAL A 13 4.674 0.423 3.670 1.00 44.40 H new ATOM 0 HG11 VAL A 13 2.692 -0.031 5.060 1.00 14.30 H new ATOM 0 HG12 VAL A 13 3.296 1.627 5.290 1.00 14.30 H new ATOM 0 HG13 VAL A 13 1.848 1.337 4.296 1.00 14.30 H new ATOM 0 HG21 VAL A 13 2.966 -1.170 2.886 1.00 3.45 H new ATOM 0 HG22 VAL A 13 2.134 0.151 2.030 1.00 3.45 H new ATOM 0 HG23 VAL A 13 3.770 -0.342 1.531 1.00 3.45 H new ATOM 207 N THR A 14 5.988 3.099 3.463 1.00 34.40 N ATOM 208 CA THR A 14 6.835 3.939 4.302 1.00 71.40 C ATOM 209 C THR A 14 6.660 5.413 3.949 1.00 34.10 C ATOM 210 O THR A 14 6.594 6.270 4.831 1.00 50.20 O ATOM 211 CB THR A 14 8.301 3.536 4.148 1.00 22.50 C ATOM 212 OG1 THR A 14 8.454 2.135 4.286 1.00 63.20 O ATOM 213 CG2 THR A 14 9.214 4.200 5.156 1.00 3.31 C ATOM 0 H THR A 14 6.496 2.541 2.776 1.00 34.40 H new ATOM 0 HA THR A 14 6.533 3.795 5.339 1.00 71.40 H new ATOM 0 HB THR A 14 8.587 3.867 3.150 1.00 22.50 H new ATOM 0 HG1 THR A 14 8.085 1.686 3.497 1.00 63.20 H new ATOM 0 HG21 THR A 14 10.240 3.870 4.991 1.00 3.31 H new ATOM 0 HG22 THR A 14 9.158 5.282 5.040 1.00 3.31 H new ATOM 0 HG23 THR A 14 8.903 3.926 6.164 1.00 3.31 H new ATOM 221 N LYS A 15 6.587 5.702 2.654 1.00 32.10 N ATOM 222 CA LYS A 15 6.421 7.073 2.184 1.00 74.50 C ATOM 223 C LYS A 15 5.002 7.571 2.445 1.00 54.40 C ATOM 224 O LYS A 15 4.781 8.766 2.646 1.00 12.30 O ATOM 225 CB LYS A 15 6.743 7.163 0.690 1.00 41.20 C ATOM 226 CG LYS A 15 8.061 7.859 0.395 1.00 51.30 C ATOM 227 CD LYS A 15 8.535 7.577 -1.022 1.00 51.20 C ATOM 228 CE LYS A 15 10.050 7.498 -1.098 1.00 43.20 C ATOM 229 NZ LYS A 15 10.532 7.382 -2.502 1.00 40.30 N ATOM 0 H LYS A 15 6.640 5.005 1.911 1.00 32.10 H new ATOM 0 HA LYS A 15 7.114 7.708 2.736 1.00 74.50 H new ATOM 0 HB2 LYS A 15 6.771 6.157 0.271 1.00 41.20 H new ATOM 0 HB3 LYS A 15 5.938 7.697 0.184 1.00 41.20 H new ATOM 0 HG2 LYS A 15 7.945 8.934 0.534 1.00 51.30 H new ATOM 0 HG3 LYS A 15 8.817 7.525 1.106 1.00 51.30 H new ATOM 0 HD2 LYS A 15 8.103 6.639 -1.371 1.00 51.20 H new ATOM 0 HD3 LYS A 15 8.177 8.361 -1.689 1.00 51.20 H new ATOM 0 HE2 LYS A 15 10.483 8.386 -0.638 1.00 43.20 H new ATOM 0 HE3 LYS A 15 10.398 6.640 -0.523 1.00 43.20 H new ATOM 0 HZ1 LYS A 15 11.571 7.331 -2.509 1.00 40.30 H new ATOM 0 HZ2 LYS A 15 10.140 6.521 -2.934 1.00 40.30 H new ATOM 0 HZ3 LYS A 15 10.223 8.213 -3.045 1.00 40.30 H new ATOM 243 N ALA A 16 4.045 6.649 2.438 1.00 55.30 N ATOM 244 CA ALA A 16 2.648 6.997 2.671 1.00 43.30 C ATOM 245 C ALA A 16 2.403 7.349 4.134 1.00 31.20 C ATOM 246 O ALA A 16 1.795 8.375 4.442 1.00 62.30 O ATOM 247 CB ALA A 16 1.743 5.851 2.244 1.00 34.20 C ATOM 0 H ALA A 16 4.211 5.656 2.274 1.00 55.30 H new ATOM 0 HA ALA A 16 2.414 7.876 2.071 1.00 43.30 H new ATOM 0 HB1 ALA A 16 0.703 6.123 2.423 1.00 34.20 H new ATOM 0 HB2 ALA A 16 1.888 5.649 1.183 1.00 34.20 H new ATOM 0 HB3 ALA A 16 1.989 4.959 2.820 1.00 34.20 H new ATOM 253 N THR A 17 2.879 6.492 5.033 1.00 31.40 N ATOM 254 CA THR A 17 2.709 6.714 6.465 1.00 64.10 C ATOM 255 C THR A 17 3.337 8.036 6.892 1.00 33.30 C ATOM 256 O THR A 17 2.724 8.819 7.618 1.00 31.40 O ATOM 257 CB THR A 17 3.329 5.561 7.257 1.00 51.10 C ATOM 258 OG1 THR A 17 3.185 5.777 8.649 1.00 71.20 O ATOM 259 CG2 THR A 17 4.802 5.364 6.973 1.00 23.40 C ATOM 0 H THR A 17 3.385 5.639 4.795 1.00 31.40 H new ATOM 0 HA THR A 17 1.640 6.758 6.675 1.00 64.10 H new ATOM 0 HB THR A 17 2.792 4.668 6.937 1.00 51.10 H new ATOM 0 HG1 THR A 17 3.586 5.029 9.139 1.00 71.20 H new ATOM 0 HG21 THR A 17 5.179 4.531 7.567 1.00 23.40 H new ATOM 0 HG22 THR A 17 4.943 5.147 5.914 1.00 23.40 H new ATOM 0 HG23 THR A 17 5.347 6.271 7.233 1.00 23.40 H new ATOM 267 N GLU A 18 4.563 8.279 6.439 1.00 62.40 N ATOM 268 CA GLU A 18 5.273 9.507 6.777 1.00 74.30 C ATOM 269 C GLU A 18 4.566 10.725 6.192 1.00 55.00 C ATOM 270 O GLU A 18 4.510 11.783 6.819 1.00 63.40 O ATOM 271 CB GLU A 18 6.713 9.445 6.264 1.00 75.00 C ATOM 272 CG GLU A 18 6.818 9.377 4.749 1.00 65.10 C ATOM 273 CD GLU A 18 8.254 9.407 4.263 1.00 75.50 C ATOM 274 OE1 GLU A 18 8.952 8.382 4.412 1.00 14.20 O ATOM 275 OE2 GLU A 18 8.679 10.454 3.732 1.00 3.24 O ATOM 0 H GLU A 18 5.085 7.642 5.837 1.00 62.40 H new ATOM 0 HA GLU A 18 5.284 9.603 7.863 1.00 74.30 H new ATOM 0 HB2 GLU A 18 7.254 10.323 6.618 1.00 75.00 H new ATOM 0 HB3 GLU A 18 7.205 8.572 6.693 1.00 75.00 H new ATOM 0 HG2 GLU A 18 6.338 8.465 4.396 1.00 65.10 H new ATOM 0 HG3 GLU A 18 6.273 10.214 4.313 1.00 65.10 H new ATOM 282 N GLU A 19 4.026 10.569 4.987 1.00 61.40 N ATOM 283 CA GLU A 19 3.323 11.657 4.318 1.00 43.10 C ATOM 284 C GLU A 19 2.074 12.059 5.097 1.00 22.40 C ATOM 285 O GLU A 19 1.814 13.246 5.302 1.00 43.10 O ATOM 286 CB GLU A 19 2.942 11.244 2.893 1.00 2.42 C ATOM 287 CG GLU A 19 3.837 11.853 1.825 1.00 30.20 C ATOM 288 CD GLU A 19 4.215 10.859 0.745 1.00 55.30 C ATOM 289 OE1 GLU A 19 3.362 10.023 0.381 1.00 61.30 O ATOM 290 OE2 GLU A 19 5.366 10.916 0.262 1.00 13.00 O ATOM 0 H GLU A 19 4.062 9.700 4.455 1.00 61.40 H new ATOM 0 HA GLU A 19 3.992 12.517 4.273 1.00 43.10 H new ATOM 0 HB2 GLU A 19 2.984 10.158 2.815 1.00 2.42 H new ATOM 0 HB3 GLU A 19 1.910 11.538 2.702 1.00 2.42 H new ATOM 0 HG2 GLU A 19 3.327 12.702 1.370 1.00 30.20 H new ATOM 0 HG3 GLU A 19 4.743 12.238 2.292 1.00 30.20 H new ATOM 297 N ASP A 20 1.305 11.065 5.530 1.00 5.31 N ATOM 298 CA ASP A 20 0.083 11.315 6.287 1.00 42.20 C ATOM 299 C ASP A 20 0.362 12.195 7.504 1.00 41.20 C ATOM 300 O ASP A 20 -0.479 12.997 7.908 1.00 73.40 O ATOM 301 CB ASP A 20 -0.545 9.992 6.732 1.00 12.00 C ATOM 302 CG ASP A 20 -2.042 9.956 6.496 1.00 43.40 C ATOM 303 OD1 ASP A 20 -2.457 9.864 5.321 1.00 4.02 O ATOM 304 OD2 ASP A 20 -2.801 10.018 7.486 1.00 74.30 O ATOM 0 H ASP A 20 1.506 10.078 5.370 1.00 5.31 H new ATOM 0 HA ASP A 20 -0.615 11.841 5.636 1.00 42.20 H new ATOM 0 HB2 ASP A 20 -0.075 9.170 6.192 1.00 12.00 H new ATOM 0 HB3 ASP A 20 -0.343 9.835 7.792 1.00 12.00 H new ATOM 309 N LYS A 21 1.550 12.040 8.079 1.00 21.00 N ATOM 310 CA LYS A 21 1.941 12.820 9.247 1.00 31.20 C ATOM 311 C LYS A 21 2.289 14.254 8.856 1.00 62.10 C ATOM 312 O LYS A 21 2.187 15.171 9.671 1.00 10.30 O ATOM 313 CB LYS A 21 3.133 12.166 9.947 1.00 41.20 C ATOM 314 CG LYS A 21 2.737 11.233 11.081 1.00 71.20 C ATOM 315 CD LYS A 21 3.077 9.786 10.762 1.00 64.10 C ATOM 316 CE LYS A 21 2.554 8.842 11.832 1.00 70.50 C ATOM 317 NZ LYS A 21 3.611 8.475 12.815 1.00 75.10 N ATOM 0 H LYS A 21 2.258 11.381 7.755 1.00 21.00 H new ATOM 0 HA LYS A 21 1.095 12.847 9.933 1.00 31.20 H new ATOM 0 HB2 LYS A 21 3.712 11.606 9.213 1.00 41.20 H new ATOM 0 HB3 LYS A 21 3.785 12.946 10.340 1.00 41.20 H new ATOM 0 HG2 LYS A 21 3.248 11.534 11.995 1.00 71.20 H new ATOM 0 HG3 LYS A 21 1.667 11.323 11.269 1.00 71.20 H new ATOM 0 HD2 LYS A 21 2.650 9.515 9.796 1.00 64.10 H new ATOM 0 HD3 LYS A 21 4.158 9.676 10.675 1.00 64.10 H new ATOM 0 HE2 LYS A 21 1.720 9.312 12.354 1.00 70.50 H new ATOM 0 HE3 LYS A 21 2.167 7.938 11.361 1.00 70.50 H new ATOM 0 HZ1 LYS A 21 3.214 7.830 13.528 1.00 75.10 H new ATOM 0 HZ2 LYS A 21 4.396 8.004 12.321 1.00 75.10 H new ATOM 0 HZ3 LYS A 21 3.963 9.334 13.283 1.00 75.10 H new ATOM 331 N ALA A 22 2.701 14.442 7.605 1.00 54.30 N ATOM 332 CA ALA A 22 3.063 15.765 7.112 1.00 1.25 C ATOM 333 C ALA A 22 1.903 16.418 6.368 1.00 64.50 C ATOM 334 O ALA A 22 2.110 17.246 5.482 1.00 62.30 O ATOM 335 CB ALA A 22 4.285 15.673 6.209 1.00 74.30 C ATOM 0 H ALA A 22 2.792 13.695 6.916 1.00 54.30 H new ATOM 0 HA ALA A 22 3.302 16.390 7.972 1.00 1.25 H new ATOM 0 HB1 ALA A 22 4.546 16.668 5.847 1.00 74.30 H new ATOM 0 HB2 ALA A 22 5.123 15.260 6.771 1.00 74.30 H new ATOM 0 HB3 ALA A 22 4.063 15.025 5.361 1.00 74.30 H new ATOM 341 N LYS A 23 0.681 16.042 6.734 1.00 23.10 N ATOM 342 CA LYS A 23 -0.512 16.595 6.101 1.00 44.30 C ATOM 343 C LYS A 23 -0.490 16.357 4.593 1.00 43.30 C ATOM 344 O LYS A 23 -0.691 17.282 3.804 1.00 54.40 O ATOM 345 CB LYS A 23 -0.620 18.094 6.393 1.00 64.10 C ATOM 346 CG LYS A 23 -2.043 18.566 6.631 1.00 1.13 C ATOM 347 CD LYS A 23 -2.080 19.797 7.523 1.00 55.50 C ATOM 348 CE LYS A 23 -3.315 20.644 7.254 1.00 1.54 C ATOM 349 NZ LYS A 23 -3.927 21.147 8.514 1.00 4.12 N ATOM 0 H LYS A 23 0.491 15.357 7.465 1.00 23.10 H new ATOM 0 HA LYS A 23 -1.382 16.087 6.516 1.00 44.30 H new ATOM 0 HB2 LYS A 23 -0.017 18.329 7.270 1.00 64.10 H new ATOM 0 HB3 LYS A 23 -0.197 18.650 5.556 1.00 64.10 H new ATOM 0 HG2 LYS A 23 -2.517 18.793 5.676 1.00 1.13 H new ATOM 0 HG3 LYS A 23 -2.621 17.765 7.091 1.00 1.13 H new ATOM 0 HD2 LYS A 23 -2.069 19.490 8.569 1.00 55.50 H new ATOM 0 HD3 LYS A 23 -1.184 20.395 7.357 1.00 55.50 H new ATOM 0 HE2 LYS A 23 -3.045 21.488 6.619 1.00 1.54 H new ATOM 0 HE3 LYS A 23 -4.048 20.053 6.705 1.00 1.54 H new ATOM 0 HZ1 LYS A 23 -4.765 21.719 8.288 1.00 4.12 H new ATOM 0 HZ2 LYS A 23 -4.208 20.342 9.109 1.00 4.12 H new ATOM 0 HZ3 LYS A 23 -3.236 21.732 9.026 1.00 4.12 H new ATOM 363 N ASN A 24 -0.246 15.112 4.198 1.00 33.20 N ATOM 364 CA ASN A 24 -0.200 14.752 2.786 1.00 3.30 C ATOM 365 C ASN A 24 -1.237 13.679 2.464 1.00 3.44 C ATOM 366 O ASN A 24 -0.938 12.696 1.785 1.00 31.40 O ATOM 367 CB ASN A 24 1.198 14.260 2.409 1.00 11.20 C ATOM 368 CG ASN A 24 2.228 15.372 2.430 1.00 23.40 C ATOM 369 OD1 ASN A 24 2.902 15.592 3.437 1.00 1.20 O ATOM 370 ND2 ASN A 24 2.355 16.083 1.315 1.00 70.10 N ATOM 0 H ASN A 24 -0.077 14.335 4.837 1.00 33.20 H new ATOM 0 HA ASN A 24 -0.433 15.642 2.201 1.00 3.30 H new ATOM 0 HB2 ASN A 24 1.502 13.474 3.100 1.00 11.20 H new ATOM 0 HB3 ASN A 24 1.168 13.816 1.414 1.00 11.20 H new ATOM 0 HD21 ASN A 24 3.031 16.845 1.270 1.00 70.10 H new ATOM 0 HD22 ASN A 24 1.776 15.867 0.503 1.00 70.10 H new ATOM 377 N TYR A 25 -2.456 13.876 2.957 1.00 71.30 N ATOM 378 CA TYR A 25 -3.541 12.928 2.724 1.00 64.40 C ATOM 379 C TYR A 25 -3.713 12.643 1.234 1.00 23.10 C ATOM 380 O TYR A 25 -4.094 11.540 0.843 1.00 24.00 O ATOM 381 CB TYR A 25 -4.849 13.465 3.306 1.00 12.20 C ATOM 382 CG TYR A 25 -4.831 13.607 4.811 1.00 41.00 C ATOM 383 CD1 TYR A 25 -4.296 14.739 5.415 1.00 21.00 C ATOM 384 CD2 TYR A 25 -5.348 12.611 5.629 1.00 42.40 C ATOM 385 CE1 TYR A 25 -4.278 14.873 6.790 1.00 12.50 C ATOM 386 CE2 TYR A 25 -5.335 12.737 7.004 1.00 43.20 C ATOM 387 CZ TYR A 25 -4.798 13.870 7.580 1.00 63.50 C ATOM 388 OH TYR A 25 -4.781 14.000 8.950 1.00 73.40 O ATOM 0 H TYR A 25 -2.718 14.685 3.521 1.00 71.30 H new ATOM 0 HA TYR A 25 -3.283 11.994 3.224 1.00 64.40 H new ATOM 0 HB2 TYR A 25 -5.063 14.437 2.861 1.00 12.20 H new ATOM 0 HB3 TYR A 25 -5.663 12.798 3.022 1.00 12.20 H new ATOM 0 HD1 TYR A 25 -3.888 15.527 4.799 1.00 21.00 H new ATOM 0 HD2 TYR A 25 -5.768 11.722 5.182 1.00 42.40 H new ATOM 0 HE1 TYR A 25 -3.859 15.759 7.244 1.00 12.50 H new ATOM 0 HE2 TYR A 25 -5.743 11.953 7.625 1.00 43.20 H new ATOM 0 HH TYR A 25 -5.186 13.207 9.359 1.00 73.40 H new ATOM 398 N GLU A 26 -3.429 13.646 0.409 1.00 31.00 N ATOM 399 CA GLU A 26 -3.551 13.502 -1.036 1.00 72.50 C ATOM 400 C GLU A 26 -2.488 12.552 -1.580 1.00 2.15 C ATOM 401 O GLU A 26 -2.796 11.618 -2.320 1.00 23.30 O ATOM 402 CB GLU A 26 -3.428 14.866 -1.717 1.00 51.30 C ATOM 403 CG GLU A 26 -4.756 15.592 -1.872 1.00 24.10 C ATOM 404 CD GLU A 26 -5.143 15.800 -3.323 1.00 22.30 C ATOM 405 OE1 GLU A 26 -5.365 14.793 -4.029 1.00 13.50 O ATOM 406 OE2 GLU A 26 -5.225 16.969 -3.754 1.00 75.30 O ATOM 0 H GLU A 26 -3.113 14.566 0.717 1.00 31.00 H new ATOM 0 HA GLU A 26 -4.533 13.082 -1.253 1.00 72.50 H new ATOM 0 HB2 GLU A 26 -2.747 15.491 -1.139 1.00 51.30 H new ATOM 0 HB3 GLU A 26 -2.980 14.732 -2.701 1.00 51.30 H new ATOM 0 HG2 GLU A 26 -5.538 15.022 -1.370 1.00 24.10 H new ATOM 0 HG3 GLU A 26 -4.697 16.560 -1.374 1.00 24.10 H new ATOM 413 N GLU A 27 -1.237 12.798 -1.205 1.00 72.50 N ATOM 414 CA GLU A 27 -0.127 11.966 -1.653 1.00 43.10 C ATOM 415 C GLU A 27 -0.219 10.568 -1.050 1.00 11.50 C ATOM 416 O GLU A 27 0.060 9.572 -1.719 1.00 21.40 O ATOM 417 CB GLU A 27 1.207 12.610 -1.273 1.00 55.00 C ATOM 418 CG GLU A 27 2.371 12.159 -2.141 1.00 61.40 C ATOM 419 CD GLU A 27 2.700 13.152 -3.238 1.00 32.30 C ATOM 420 OE1 GLU A 27 3.411 14.138 -2.952 1.00 12.40 O ATOM 421 OE2 GLU A 27 2.246 12.944 -4.382 1.00 62.40 O ATOM 0 H GLU A 27 -0.967 13.567 -0.592 1.00 72.50 H new ATOM 0 HA GLU A 27 -0.185 11.880 -2.738 1.00 43.10 H new ATOM 0 HB2 GLU A 27 1.111 13.693 -1.344 1.00 55.00 H new ATOM 0 HB3 GLU A 27 1.430 12.377 -0.232 1.00 55.00 H new ATOM 0 HG2 GLU A 27 3.251 12.011 -1.514 1.00 61.40 H new ATOM 0 HG3 GLU A 27 2.133 11.194 -2.589 1.00 61.40 H new ATOM 428 N ALA A 28 -0.613 10.500 0.217 1.00 40.20 N ATOM 429 CA ALA A 28 -0.742 9.224 0.911 1.00 5.01 C ATOM 430 C ALA A 28 -1.740 8.313 0.204 1.00 21.40 C ATOM 431 O ALA A 28 -1.596 7.091 0.217 1.00 11.00 O ATOM 432 CB ALA A 28 -1.164 9.450 2.355 1.00 72.50 C ATOM 0 H ALA A 28 -0.849 11.314 0.785 1.00 40.20 H new ATOM 0 HA ALA A 28 0.231 8.732 0.900 1.00 5.01 H new ATOM 0 HB1 ALA A 28 -1.257 8.489 2.862 1.00 72.50 H new ATOM 0 HB2 ALA A 28 -0.414 10.057 2.862 1.00 72.50 H new ATOM 0 HB3 ALA A 28 -2.124 9.966 2.377 1.00 72.50 H new ATOM 438 N LEU A 29 -2.750 8.917 -0.414 1.00 22.30 N ATOM 439 CA LEU A 29 -3.771 8.160 -1.129 1.00 64.20 C ATOM 440 C LEU A 29 -3.170 7.432 -2.326 1.00 23.00 C ATOM 441 O LEU A 29 -3.478 6.267 -2.576 1.00 73.30 O ATOM 442 CB LEU A 29 -4.894 9.090 -1.593 1.00 43.40 C ATOM 443 CG LEU A 29 -6.125 8.385 -2.164 1.00 14.00 C ATOM 444 CD1 LEU A 29 -7.169 8.175 -1.079 1.00 62.20 C ATOM 445 CD2 LEU A 29 -6.709 9.182 -3.321 1.00 25.40 C ATOM 0 H LEU A 29 -2.883 9.928 -0.434 1.00 22.30 H new ATOM 0 HA LEU A 29 -4.183 7.418 -0.445 1.00 64.20 H new ATOM 0 HB2 LEU A 29 -5.206 9.707 -0.750 1.00 43.40 H new ATOM 0 HB3 LEU A 29 -4.496 9.764 -2.351 1.00 43.40 H new ATOM 0 HG LEU A 29 -5.819 7.409 -2.541 1.00 14.00 H new ATOM 0 HD11 LEU A 29 -8.038 7.672 -1.503 1.00 62.20 H new ATOM 0 HD12 LEU A 29 -6.748 7.562 -0.282 1.00 62.20 H new ATOM 0 HD13 LEU A 29 -7.471 9.140 -0.673 1.00 62.20 H new ATOM 0 HD21 LEU A 29 -7.584 8.665 -3.714 1.00 25.40 H new ATOM 0 HD22 LEU A 29 -7.000 10.172 -2.970 1.00 25.40 H new ATOM 0 HD23 LEU A 29 -5.962 9.281 -4.108 1.00 25.40 H new ATOM 457 N ARG A 30 -2.311 8.127 -3.065 1.00 74.30 N ATOM 458 CA ARG A 30 -1.666 7.547 -4.237 1.00 51.10 C ATOM 459 C ARG A 30 -0.551 6.588 -3.828 1.00 11.30 C ATOM 460 O ARG A 30 -0.330 5.566 -4.476 1.00 24.50 O ATOM 461 CB ARG A 30 -1.104 8.651 -5.135 1.00 74.10 C ATOM 462 CG ARG A 30 -2.014 9.012 -6.298 1.00 42.50 C ATOM 463 CD ARG A 30 -3.139 9.936 -5.861 1.00 35.00 C ATOM 464 NE ARG A 30 -2.798 11.344 -6.055 1.00 13.30 N ATOM 465 CZ ARG A 30 -3.623 12.351 -5.780 1.00 1.01 C ATOM 466 NH1 ARG A 30 -4.837 12.112 -5.301 1.00 61.30 N ATOM 467 NH2 ARG A 30 -3.233 13.601 -5.986 1.00 51.40 N ATOM 0 H ARG A 30 -2.046 9.093 -2.873 1.00 74.30 H new ATOM 0 HA ARG A 30 -2.417 6.985 -4.792 1.00 51.10 H new ATOM 0 HB2 ARG A 30 -0.927 9.542 -4.533 1.00 74.10 H new ATOM 0 HB3 ARG A 30 -0.138 8.333 -5.526 1.00 74.10 H new ATOM 0 HG2 ARG A 30 -1.430 9.494 -7.082 1.00 42.50 H new ATOM 0 HG3 ARG A 30 -2.435 8.103 -6.727 1.00 42.50 H new ATOM 0 HD2 ARG A 30 -4.041 9.701 -6.425 1.00 35.00 H new ATOM 0 HD3 ARG A 30 -3.365 9.759 -4.809 1.00 35.00 H new ATOM 0 HE ARG A 30 -1.873 11.568 -6.423 1.00 13.30 H new ATOM 0 HH11 ARG A 30 -5.142 11.152 -5.142 1.00 61.30 H new ATOM 0 HH12 ARG A 30 -5.465 12.888 -5.092 1.00 61.30 H new ATOM 0 HH21 ARG A 30 -2.301 13.790 -6.355 1.00 51.40 H new ATOM 0 HH22 ARG A 30 -3.865 14.374 -5.775 1.00 51.40 H new ATOM 481 N LEU A 31 0.147 6.927 -2.749 1.00 23.00 N ATOM 482 CA LEU A 31 1.239 6.097 -2.255 1.00 25.00 C ATOM 483 C LEU A 31 0.717 4.760 -1.737 1.00 21.40 C ATOM 484 O LEU A 31 1.246 3.701 -2.077 1.00 13.30 O ATOM 485 CB LEU A 31 2.002 6.827 -1.146 1.00 72.20 C ATOM 486 CG LEU A 31 3.289 7.520 -1.595 1.00 22.10 C ATOM 487 CD1 LEU A 31 4.279 6.503 -2.140 1.00 21.20 C ATOM 488 CD2 LEU A 31 2.984 8.583 -2.641 1.00 65.20 C ATOM 0 H LEU A 31 -0.024 7.770 -2.201 1.00 23.00 H new ATOM 0 HA LEU A 31 1.918 5.902 -3.085 1.00 25.00 H new ATOM 0 HB2 LEU A 31 1.342 7.572 -0.701 1.00 72.20 H new ATOM 0 HB3 LEU A 31 2.247 6.110 -0.362 1.00 72.20 H new ATOM 0 HG LEU A 31 3.739 8.008 -0.730 1.00 22.10 H new ATOM 0 HD11 LEU A 31 5.189 7.014 -2.455 1.00 21.20 H new ATOM 0 HD12 LEU A 31 4.520 5.778 -1.363 1.00 21.20 H new ATOM 0 HD13 LEU A 31 3.838 5.988 -2.993 1.00 21.20 H new ATOM 0 HD21 LEU A 31 3.911 9.066 -2.950 1.00 65.20 H new ATOM 0 HD22 LEU A 31 2.512 8.117 -3.506 1.00 65.20 H new ATOM 0 HD23 LEU A 31 2.310 9.328 -2.217 1.00 65.20 H new ATOM 500 N TYR A 32 -0.324 4.816 -0.911 1.00 21.30 N ATOM 501 CA TYR A 32 -0.917 3.610 -0.346 1.00 63.00 C ATOM 502 C TYR A 32 -1.532 2.740 -1.438 1.00 70.20 C ATOM 503 O TYR A 32 -1.400 1.517 -1.419 1.00 31.20 O ATOM 504 CB TYR A 32 -1.980 3.978 0.692 1.00 14.20 C ATOM 505 CG TYR A 32 -1.478 3.929 2.117 1.00 32.50 C ATOM 506 CD1 TYR A 32 -1.262 2.713 2.756 1.00 4.41 C ATOM 507 CD2 TYR A 32 -1.220 5.096 2.824 1.00 45.10 C ATOM 508 CE1 TYR A 32 -0.804 2.664 4.058 1.00 52.20 C ATOM 509 CE2 TYR A 32 -0.761 5.056 4.127 1.00 34.10 C ATOM 510 CZ TYR A 32 -0.555 3.838 4.739 1.00 51.10 C ATOM 511 OH TYR A 32 -0.099 3.792 6.037 1.00 23.30 O ATOM 0 H TYR A 32 -0.773 5.684 -0.619 1.00 21.30 H new ATOM 0 HA TYR A 32 -0.126 3.040 0.141 1.00 63.00 H new ATOM 0 HB2 TYR A 32 -2.350 4.981 0.480 1.00 14.20 H new ATOM 0 HB3 TYR A 32 -2.826 3.298 0.590 1.00 14.20 H new ATOM 0 HD1 TYR A 32 -1.455 1.792 2.226 1.00 4.41 H new ATOM 0 HD2 TYR A 32 -1.381 6.052 2.347 1.00 45.10 H new ATOM 0 HE1 TYR A 32 -0.642 1.712 4.541 1.00 52.20 H new ATOM 0 HE2 TYR A 32 -0.565 5.973 4.662 1.00 34.10 H new ATOM 0 HH TYR A 32 0.027 4.704 6.372 1.00 23.30 H new ATOM 521 N GLN A 33 -2.206 3.381 -2.388 1.00 41.50 N ATOM 522 CA GLN A 33 -2.845 2.666 -3.488 1.00 74.50 C ATOM 523 C GLN A 33 -1.822 1.859 -4.283 1.00 21.40 C ATOM 524 O GLN A 33 -2.121 0.769 -4.769 1.00 53.20 O ATOM 525 CB GLN A 33 -3.563 3.651 -4.413 1.00 62.10 C ATOM 526 CG GLN A 33 -4.978 3.983 -3.967 1.00 73.30 C ATOM 527 CD GLN A 33 -5.696 4.898 -4.940 1.00 63.00 C ATOM 528 OE1 GLN A 33 -5.337 6.064 -5.095 1.00 44.20 O ATOM 529 NE2 GLN A 33 -6.719 4.369 -5.603 1.00 15.40 N ATOM 0 H GLN A 33 -2.324 4.394 -2.418 1.00 41.50 H new ATOM 0 HA GLN A 33 -3.574 1.976 -3.064 1.00 74.50 H new ATOM 0 HB2 GLN A 33 -2.983 4.572 -4.470 1.00 62.10 H new ATOM 0 HB3 GLN A 33 -3.597 3.233 -5.419 1.00 62.10 H new ATOM 0 HG2 GLN A 33 -5.546 3.059 -3.856 1.00 73.30 H new ATOM 0 HG3 GLN A 33 -4.944 4.457 -2.986 1.00 73.30 H new ATOM 0 HE21 GLN A 33 -6.982 3.397 -5.443 1.00 15.40 H new ATOM 0 HE22 GLN A 33 -7.241 4.935 -6.272 1.00 15.40 H new ATOM 538 N HIS A 34 -0.617 2.402 -4.412 1.00 33.40 N ATOM 539 CA HIS A 34 0.449 1.732 -5.149 1.00 43.30 C ATOM 540 C HIS A 34 0.967 0.520 -4.382 1.00 61.50 C ATOM 541 O HIS A 34 1.256 -0.522 -4.971 1.00 50.40 O ATOM 542 CB HIS A 34 1.597 2.706 -5.422 1.00 40.10 C ATOM 543 CG HIS A 34 1.482 3.413 -6.737 1.00 24.30 C ATOM 544 ND1 HIS A 34 2.325 3.167 -7.800 1.00 72.10 N ATOM 545 CD2 HIS A 34 0.615 4.364 -7.159 1.00 63.10 C ATOM 546 CE1 HIS A 34 1.982 3.936 -8.819 1.00 34.20 C ATOM 547 NE2 HIS A 34 0.947 4.670 -8.455 1.00 41.40 N ATOM 0 H HIS A 34 -0.353 3.304 -4.016 1.00 33.40 H new ATOM 0 HA HIS A 34 0.038 1.388 -6.098 1.00 43.30 H new ATOM 0 HB2 HIS A 34 1.632 3.446 -4.623 1.00 40.10 H new ATOM 0 HB3 HIS A 34 2.540 2.160 -5.393 1.00 40.10 H new ATOM 0 HD2 HIS A 34 -0.188 4.800 -6.583 1.00 63.10 H new ATOM 0 HE1 HIS A 34 2.466 3.960 -9.784 1.00 34.20 H new ATOM 0 HE2 HIS A 34 0.471 5.354 -9.042 1.00 41.40 H new ATOM 556 N ALA A 35 1.084 0.664 -3.067 1.00 35.10 N ATOM 557 CA ALA A 35 1.570 -0.420 -2.219 1.00 65.50 C ATOM 558 C ALA A 35 0.636 -1.625 -2.271 1.00 43.20 C ATOM 559 O ALA A 35 1.069 -2.764 -2.098 1.00 30.20 O ATOM 560 CB ALA A 35 1.728 0.065 -0.786 1.00 23.20 C ATOM 0 H ALA A 35 0.849 1.520 -2.564 1.00 35.10 H new ATOM 0 HA ALA A 35 2.543 -0.734 -2.597 1.00 65.50 H new ATOM 0 HB1 ALA A 35 2.091 -0.753 -0.163 1.00 23.20 H new ATOM 0 HB2 ALA A 35 2.442 0.888 -0.757 1.00 23.20 H new ATOM 0 HB3 ALA A 35 0.764 0.408 -0.409 1.00 23.20 H new ATOM 566 N VAL A 36 -0.646 -1.367 -2.508 1.00 71.10 N ATOM 567 CA VAL A 36 -1.638 -2.432 -2.579 1.00 50.20 C ATOM 568 C VAL A 36 -1.525 -3.208 -3.887 1.00 64.30 C ATOM 569 O VAL A 36 -1.400 -4.433 -3.885 1.00 54.20 O ATOM 570 CB VAL A 36 -3.069 -1.878 -2.449 1.00 54.30 C ATOM 571 CG1 VAL A 36 -4.074 -3.012 -2.322 1.00 13.20 C ATOM 572 CG2 VAL A 36 -3.170 -0.929 -1.263 1.00 20.30 C ATOM 0 H VAL A 36 -1.022 -0.430 -2.654 1.00 71.10 H new ATOM 0 HA VAL A 36 -1.437 -3.103 -1.744 1.00 50.20 H new ATOM 0 HB VAL A 36 -3.304 -1.317 -3.354 1.00 54.30 H new ATOM 0 HG11 VAL A 36 -5.079 -2.599 -2.231 1.00 13.20 H new ATOM 0 HG12 VAL A 36 -4.021 -3.646 -3.207 1.00 13.20 H new ATOM 0 HG13 VAL A 36 -3.844 -3.605 -1.437 1.00 13.20 H new ATOM 0 HG21 VAL A 36 -4.188 -0.548 -1.188 1.00 20.30 H new ATOM 0 HG22 VAL A 36 -2.913 -1.462 -0.348 1.00 20.30 H new ATOM 0 HG23 VAL A 36 -2.481 -0.096 -1.403 1.00 20.30 H new ATOM 582 N GLU A 37 -1.575 -2.488 -5.003 1.00 71.00 N ATOM 583 CA GLU A 37 -1.480 -3.109 -6.320 1.00 12.00 C ATOM 584 C GLU A 37 -0.168 -3.871 -6.473 1.00 14.20 C ATOM 585 O GLU A 37 -0.122 -4.923 -7.112 1.00 64.10 O ATOM 586 CB GLU A 37 -1.599 -2.050 -7.416 1.00 61.00 C ATOM 587 CG GLU A 37 -0.653 -0.875 -7.232 1.00 61.20 C ATOM 588 CD GLU A 37 -0.417 -0.109 -8.519 1.00 41.30 C ATOM 589 OE1 GLU A 37 0.400 -0.570 -9.343 1.00 34.30 O ATOM 590 OE2 GLU A 37 -1.051 0.952 -8.704 1.00 61.20 O ATOM 0 H GLU A 37 -1.681 -1.474 -5.022 1.00 71.00 H new ATOM 0 HA GLU A 37 -2.302 -3.818 -6.418 1.00 12.00 H new ATOM 0 HB2 GLU A 37 -1.403 -2.515 -8.382 1.00 61.00 H new ATOM 0 HB3 GLU A 37 -2.624 -1.680 -7.442 1.00 61.00 H new ATOM 0 HG2 GLU A 37 -1.061 -0.199 -6.481 1.00 61.20 H new ATOM 0 HG3 GLU A 37 0.301 -1.238 -6.849 1.00 61.20 H new ATOM 597 N TYR A 38 0.896 -3.335 -5.886 1.00 63.10 N ATOM 598 CA TYR A 38 2.209 -3.965 -5.961 1.00 3.10 C ATOM 599 C TYR A 38 2.217 -5.300 -5.221 1.00 21.30 C ATOM 600 O TYR A 38 2.944 -6.221 -5.592 1.00 54.00 O ATOM 601 CB TYR A 38 3.278 -3.036 -5.380 1.00 63.40 C ATOM 602 CG TYR A 38 4.112 -2.340 -6.432 1.00 42.00 C ATOM 603 CD1 TYR A 38 5.265 -2.932 -6.934 1.00 75.40 C ATOM 604 CD2 TYR A 38 3.747 -1.093 -6.923 1.00 13.00 C ATOM 605 CE1 TYR A 38 6.030 -2.300 -7.896 1.00 12.50 C ATOM 606 CE2 TYR A 38 4.508 -0.455 -7.885 1.00 53.10 C ATOM 607 CZ TYR A 38 5.648 -1.062 -8.367 1.00 21.10 C ATOM 608 OH TYR A 38 6.407 -0.429 -9.324 1.00 13.20 O ATOM 0 H TYR A 38 0.875 -2.466 -5.353 1.00 63.10 H new ATOM 0 HA TYR A 38 2.435 -4.153 -7.011 1.00 3.10 H new ATOM 0 HB2 TYR A 38 2.794 -2.284 -4.756 1.00 63.40 H new ATOM 0 HB3 TYR A 38 3.936 -3.614 -4.731 1.00 63.40 H new ATOM 0 HD1 TYR A 38 5.568 -3.901 -6.566 1.00 75.40 H new ATOM 0 HD2 TYR A 38 2.855 -0.614 -6.547 1.00 13.00 H new ATOM 0 HE1 TYR A 38 6.923 -2.774 -8.277 1.00 12.50 H new ATOM 0 HE2 TYR A 38 4.211 0.514 -8.257 1.00 53.10 H new ATOM 0 HH TYR A 38 5.999 0.434 -9.547 1.00 13.20 H new ATOM 618 N PHE A 39 1.406 -5.395 -4.174 1.00 3.31 N ATOM 619 CA PHE A 39 1.322 -6.616 -3.381 1.00 14.00 C ATOM 620 C PHE A 39 0.558 -7.703 -4.132 1.00 1.50 C ATOM 621 O PHE A 39 0.964 -8.865 -4.143 1.00 25.10 O ATOM 622 CB PHE A 39 0.641 -6.332 -2.040 1.00 13.20 C ATOM 623 CG PHE A 39 1.604 -5.976 -0.943 1.00 10.10 C ATOM 624 CD1 PHE A 39 2.684 -6.794 -0.657 1.00 32.50 C ATOM 625 CD2 PHE A 39 1.427 -4.821 -0.198 1.00 30.20 C ATOM 626 CE1 PHE A 39 3.571 -6.468 0.351 1.00 41.40 C ATOM 627 CE2 PHE A 39 2.310 -4.489 0.812 1.00 1.13 C ATOM 628 CZ PHE A 39 3.383 -5.314 1.087 1.00 73.30 C ATOM 0 H PHE A 39 0.797 -4.642 -3.854 1.00 3.31 H new ATOM 0 HA PHE A 39 2.336 -6.971 -3.199 1.00 14.00 H new ATOM 0 HB2 PHE A 39 -0.070 -5.516 -2.168 1.00 13.20 H new ATOM 0 HB3 PHE A 39 0.068 -7.209 -1.739 1.00 13.20 H new ATOM 0 HD1 PHE A 39 2.835 -7.698 -1.229 1.00 32.50 H new ATOM 0 HD2 PHE A 39 0.589 -4.173 -0.409 1.00 30.20 H new ATOM 0 HE1 PHE A 39 4.410 -7.114 0.563 1.00 41.40 H new ATOM 0 HE2 PHE A 39 2.161 -3.586 1.385 1.00 1.13 H new ATOM 0 HZ PHE A 39 4.074 -5.057 1.876 1.00 73.30 H new ATOM 638 N LEU A 40 -0.550 -7.317 -4.756 1.00 75.20 N ATOM 639 CA LEU A 40 -1.371 -8.259 -5.507 1.00 71.50 C ATOM 640 C LEU A 40 -0.572 -8.904 -6.635 1.00 14.10 C ATOM 641 O LEU A 40 -0.655 -10.110 -6.857 1.00 55.10 O ATOM 642 CB LEU A 40 -2.601 -7.550 -6.081 1.00 1.21 C ATOM 643 CG LEU A 40 -3.810 -7.494 -5.145 1.00 54.30 C ATOM 644 CD1 LEU A 40 -4.834 -6.493 -5.656 1.00 13.40 C ATOM 645 CD2 LEU A 40 -4.436 -8.873 -5.001 1.00 44.50 C ATOM 0 H LEU A 40 -0.900 -6.359 -4.756 1.00 75.20 H new ATOM 0 HA LEU A 40 -1.695 -9.043 -4.823 1.00 71.50 H new ATOM 0 HB2 LEU A 40 -2.322 -6.532 -6.351 1.00 1.21 H new ATOM 0 HB3 LEU A 40 -2.896 -8.054 -7.001 1.00 1.21 H new ATOM 0 HG LEU A 40 -3.471 -7.166 -4.162 1.00 54.30 H new ATOM 0 HD11 LEU A 40 -5.687 -6.467 -4.978 1.00 13.40 H new ATOM 0 HD12 LEU A 40 -4.381 -5.503 -5.708 1.00 13.40 H new ATOM 0 HD13 LEU A 40 -5.170 -6.791 -6.649 1.00 13.40 H new ATOM 0 HD21 LEU A 40 -5.294 -8.815 -4.332 1.00 44.50 H new ATOM 0 HD22 LEU A 40 -4.761 -9.229 -5.979 1.00 44.50 H new ATOM 0 HD23 LEU A 40 -3.701 -9.565 -4.589 1.00 44.50 H new ATOM 657 N HIS A 41 0.202 -8.090 -7.347 1.00 15.30 N ATOM 658 CA HIS A 41 1.016 -8.581 -8.453 1.00 61.40 C ATOM 659 C HIS A 41 2.095 -9.539 -7.955 1.00 44.50 C ATOM 660 O HIS A 41 2.505 -10.450 -8.670 1.00 45.30 O ATOM 661 CB HIS A 41 1.661 -7.411 -9.197 1.00 31.40 C ATOM 662 CG HIS A 41 2.241 -7.793 -10.520 1.00 71.10 C ATOM 663 ND1 HIS A 41 1.826 -7.236 -11.710 1.00 21.30 N ATOM 664 CD2 HIS A 41 3.212 -8.681 -10.840 1.00 13.10 C ATOM 665 CE1 HIS A 41 2.515 -7.767 -12.710 1.00 0.31 C ATOM 666 NE2 HIS A 41 3.361 -8.646 -12.200 1.00 55.10 N ATOM 0 H HIS A 41 0.282 -7.087 -7.177 1.00 15.30 H new ATOM 0 HA HIS A 41 0.363 -9.123 -9.137 1.00 61.40 H new ATOM 0 HB2 HIS A 41 0.915 -6.631 -9.348 1.00 31.40 H new ATOM 0 HB3 HIS A 41 2.447 -6.984 -8.574 1.00 31.40 H new ATOM 0 HD2 HIS A 41 3.766 -9.301 -10.151 1.00 13.10 H new ATOM 0 HE1 HIS A 41 2.405 -7.525 -13.757 1.00 0.31 H new ATOM 0 HE2 HIS A 41 4.021 -9.209 -12.736 1.00 55.10 H new ATOM 675 N ALA A 42 2.551 -9.322 -6.725 1.00 61.30 N ATOM 676 CA ALA A 42 3.583 -10.160 -6.135 1.00 25.00 C ATOM 677 C ALA A 42 3.051 -11.560 -5.844 1.00 11.20 C ATOM 678 O ALA A 42 3.780 -12.550 -5.955 1.00 32.30 O ATOM 679 CB ALA A 42 4.119 -9.529 -4.862 1.00 43.10 C ATOM 0 H ALA A 42 2.220 -8.571 -6.119 1.00 61.30 H new ATOM 0 HA ALA A 42 4.397 -10.246 -6.855 1.00 25.00 H new ATOM 0 HB1 ALA A 42 4.890 -10.170 -4.435 1.00 43.10 H new ATOM 0 HB2 ALA A 42 4.545 -8.552 -5.092 1.00 43.10 H new ATOM 0 HB3 ALA A 42 3.307 -9.411 -4.145 1.00 43.10 H new ATOM 685 N ILE A 43 1.779 -11.640 -5.470 1.00 33.30 N ATOM 686 CA ILE A 43 1.151 -12.920 -5.161 1.00 20.50 C ATOM 687 C ILE A 43 0.832 -13.700 -6.433 1.00 33.00 C ATOM 688 O ILE A 43 1.128 -14.890 -6.535 1.00 1.31 O ATOM 689 CB ILE A 43 -0.145 -12.730 -4.351 1.00 11.50 C ATOM 690 CG1 ILE A 43 0.102 -11.800 -3.161 1.00 3.11 C ATOM 691 CG2 ILE A 43 -0.678 -14.070 -3.878 1.00 2.25 C ATOM 692 CD1 ILE A 43 -1.164 -11.200 -2.591 1.00 23.40 C ATOM 0 H ILE A 43 1.162 -10.834 -5.373 1.00 33.30 H new ATOM 0 HA ILE A 43 1.866 -13.484 -4.562 1.00 20.50 H new ATOM 0 HB ILE A 43 -0.893 -12.272 -4.998 1.00 11.50 H new ATOM 0 HG12 ILE A 43 0.616 -12.355 -2.377 1.00 3.11 H new ATOM 0 HG13 ILE A 43 0.768 -10.995 -3.471 1.00 3.11 H new ATOM 0 HG21 ILE A 43 -1.594 -13.916 -3.307 1.00 2.25 H new ATOM 0 HG22 ILE A 43 -0.889 -14.702 -4.740 1.00 2.25 H new ATOM 0 HG23 ILE A 43 0.066 -14.555 -3.246 1.00 2.25 H new ATOM 0 HD11 ILE A 43 -0.913 -10.552 -1.751 1.00 23.40 H new ATOM 0 HD12 ILE A 43 -1.669 -10.617 -3.361 1.00 23.40 H new ATOM 0 HD13 ILE A 43 -1.823 -11.998 -2.250 1.00 23.40 H new ATOM 704 N LYS A 44 0.223 -13.020 -7.400 1.00 13.40 N ATOM 705 CA LYS A 44 -0.140 -13.650 -8.665 1.00 64.20 C ATOM 706 C LYS A 44 1.092 -14.210 -9.369 1.00 61.30 C ATOM 707 O LYS A 44 1.121 -15.380 -9.751 1.00 41.30 O ATOM 708 CB LYS A 44 -0.850 -12.640 -9.573 1.00 62.40 C ATOM 709 CG LYS A 44 -2.155 -13.160 -10.150 1.00 45.40 C ATOM 710 CD LYS A 44 -2.811 -12.130 -11.060 1.00 53.40 C ATOM 711 CE LYS A 44 -3.629 -12.800 -12.150 1.00 53.30 C ATOM 712 NZ LYS A 44 -3.527 -12.070 -13.440 1.00 3.45 N ATOM 0 H LYS A 44 -0.029 -12.034 -7.332 1.00 13.40 H new ATOM 0 HA LYS A 44 -0.818 -14.477 -8.451 1.00 64.20 H new ATOM 0 HB2 LYS A 44 -1.049 -11.730 -9.006 1.00 62.40 H new ATOM 0 HB3 LYS A 44 -0.183 -12.367 -10.391 1.00 62.40 H new ATOM 0 HG2 LYS A 44 -1.967 -14.076 -10.711 1.00 45.40 H new ATOM 0 HG3 LYS A 44 -2.836 -13.417 -9.339 1.00 45.40 H new ATOM 0 HD2 LYS A 44 -3.453 -11.476 -10.470 1.00 53.40 H new ATOM 0 HD3 LYS A 44 -2.045 -11.500 -11.512 1.00 53.40 H new ATOM 0 HE2 LYS A 44 -3.286 -13.826 -12.284 1.00 53.30 H new ATOM 0 HE3 LYS A 44 -4.673 -12.851 -11.842 1.00 53.30 H new ATOM 0 HZ1 LYS A 44 -4.098 -12.556 -14.160 1.00 3.45 H new ATOM 0 HZ2 LYS A 44 -3.878 -11.099 -13.318 1.00 3.45 H new ATOM 0 HZ3 LYS A 44 -2.533 -12.043 -13.746 1.00 3.45 H new ATOM 726 N TYR A 45 2.107 -13.370 -9.540 1.00 23.40 N ATOM 727 CA TYR A 45 3.339 -13.780 -10.200 1.00 21.10 C ATOM 728 C TYR A 45 4.190 -14.650 -9.275 1.00 2.54 C ATOM 729 O TYR A 45 4.425 -15.820 -9.553 1.00 55.00 O ATOM 730 CB TYR A 45 4.138 -12.560 -10.640 1.00 11.20 C ATOM 731 CG TYR A 45 3.737 -12.040 -12.010 1.00 44.50 C ATOM 732 CD1 TYR A 45 2.436 -11.620 -12.260 1.00 20.30 C ATOM 733 CD2 TYR A 45 4.660 -11.970 -13.040 1.00 52.20 C ATOM 734 CE1 TYR A 45 2.067 -11.150 -13.500 1.00 22.40 C ATOM 735 CE2 TYR A 45 4.298 -11.490 -14.290 1.00 40.50 C ATOM 736 CZ TYR A 45 3.001 -11.080 -14.510 1.00 13.30 C ATOM 737 OH TYR A 45 2.636 -10.610 -15.750 1.00 10.30 O ATOM 0 H TYR A 45 2.100 -12.398 -9.229 1.00 23.40 H new ATOM 0 HA TYR A 45 3.070 -14.366 -11.079 1.00 21.10 H new ATOM 0 HB2 TYR A 45 4.008 -11.765 -9.905 1.00 11.20 H new ATOM 0 HB3 TYR A 45 5.198 -12.814 -10.651 1.00 11.20 H new ATOM 0 HD1 TYR A 45 1.703 -11.663 -11.468 1.00 20.30 H new ATOM 0 HD2 TYR A 45 5.676 -12.294 -12.868 1.00 52.20 H new ATOM 0 HE1 TYR A 45 1.049 -10.837 -13.680 1.00 22.40 H new ATOM 0 HE2 TYR A 45 5.027 -11.438 -15.085 1.00 40.50 H new ATOM 0 HH TYR A 45 3.413 -10.625 -16.347 1.00 10.30 H new ATOM 747 N GLU A 46 4.648 -14.060 -8.176 1.00 32.50 N ATOM 748 CA GLU A 46 5.473 -14.780 -7.212 1.00 54.20 C ATOM 749 C GLU A 46 4.619 -15.340 -6.083 1.00 71.00 C ATOM 750 O GLU A 46 4.497 -14.740 -5.018 1.00 41.30 O ATOM 751 CB GLU A 46 6.548 -13.850 -6.637 1.00 45.30 C ATOM 752 CG GLU A 46 7.717 -13.620 -7.581 1.00 64.20 C ATOM 753 CD GLU A 46 9.055 -13.940 -6.943 1.00 34.10 C ATOM 754 OE1 GLU A 46 9.145 -14.960 -6.232 1.00 42.10 O ATOM 755 OE2 GLU A 46 10.013 -13.160 -7.154 1.00 55.10 O ATOM 0 H GLU A 46 4.463 -13.087 -7.931 1.00 32.50 H new ATOM 0 HA GLU A 46 5.955 -15.610 -7.729 1.00 54.20 H new ATOM 0 HB2 GLU A 46 6.094 -12.890 -6.393 1.00 45.30 H new ATOM 0 HB3 GLU A 46 6.922 -14.272 -5.704 1.00 45.30 H new ATOM 0 HG2 GLU A 46 7.587 -14.236 -8.471 1.00 64.20 H new ATOM 0 HG3 GLU A 46 7.715 -12.581 -7.909 1.00 64.20 H new ATOM 762 N ALA A 47 4.032 -16.510 -6.323 1.00 3.24 N ATOM 763 CA ALA A 47 3.190 -17.160 -5.326 1.00 31.30 C ATOM 764 C ALA A 47 4.022 -18.030 -4.382 1.00 73.00 C ATOM 765 O ALA A 47 4.641 -19.000 -4.802 1.00 21.20 O ATOM 766 CB ALA A 47 2.121 -18.000 -6.006 1.00 53.00 C ATOM 0 H ALA A 47 4.125 -17.026 -7.198 1.00 3.24 H new ATOM 0 HA ALA A 47 2.708 -16.382 -4.734 1.00 31.30 H new ATOM 0 HB1 ALA A 47 1.500 -18.480 -5.250 1.00 53.00 H new ATOM 0 HB2 ALA A 47 1.500 -17.360 -6.634 1.00 53.00 H new ATOM 0 HB3 ALA A 47 2.596 -18.763 -6.623 1.00 53.00 H new ATOM 772 N HIS A 48 4.032 -17.660 -3.106 1.00 65.00 N ATOM 773 CA HIS A 48 4.788 -18.400 -2.102 1.00 13.00 C ATOM 774 C HIS A 48 3.878 -19.350 -1.329 1.00 11.30 C ATOM 775 O HIS A 48 2.738 -19.590 -1.725 1.00 72.40 O ATOM 776 CB HIS A 48 5.478 -17.430 -1.138 1.00 3.32 C ATOM 777 CG HIS A 48 6.973 -17.470 -1.210 1.00 52.20 C ATOM 778 ND1 HIS A 48 7.721 -16.580 -1.946 1.00 64.10 N ATOM 779 CD2 HIS A 48 7.861 -18.320 -0.632 1.00 64.50 C ATOM 780 CE1 HIS A 48 9.003 -16.870 -1.818 1.00 33.10 C ATOM 781 NE2 HIS A 48 9.114 -17.920 -1.026 1.00 73.20 N ATOM 0 H HIS A 48 3.526 -16.853 -2.743 1.00 65.00 H new ATOM 0 HA HIS A 48 5.547 -18.992 -2.613 1.00 13.00 H new ATOM 0 HB2 HIS A 48 5.140 -16.416 -1.353 1.00 3.32 H new ATOM 0 HB3 HIS A 48 5.166 -17.661 -0.119 1.00 3.32 H new ATOM 0 HD2 HIS A 48 7.626 -19.152 0.015 1.00 64.50 H new ATOM 0 HE1 HIS A 48 9.821 -16.339 -2.282 1.00 33.10 H new ATOM 0 HE2 HIS A 48 9.990 -18.363 -0.751 1.00 73.20 H new ATOM 790 N SER A 49 4.390 -19.880 -0.227 1.00 54.50 N ATOM 791 CA SER A 49 3.622 -20.810 0.599 1.00 10.10 C ATOM 792 C SER A 49 2.390 -20.130 1.183 1.00 53.10 C ATOM 793 O SER A 49 2.220 -18.910 1.054 1.00 24.40 O ATOM 794 CB SER A 49 4.495 -21.360 1.727 1.00 0.22 C ATOM 795 OG SER A 49 4.207 -22.730 1.970 1.00 24.50 O ATOM 0 H SER A 49 5.330 -19.685 0.117 1.00 54.50 H new ATOM 0 HA SER A 49 3.294 -21.634 -0.035 1.00 10.10 H new ATOM 0 HB2 SER A 49 5.547 -21.246 1.466 1.00 0.22 H new ATOM 0 HB3 SER A 49 4.328 -20.782 2.636 1.00 0.22 H new ATOM 0 HG SER A 49 4.778 -23.061 2.694 1.00 24.50 H new ATOM 801 N ASP A 50 1.533 -20.910 1.826 1.00 65.10 N ATOM 802 CA ASP A 50 0.315 -20.390 2.431 1.00 34.30 C ATOM 803 C ASP A 50 0.641 -19.330 3.480 1.00 62.40 C ATOM 804 O ASP A 50 -0.097 -18.350 3.644 1.00 42.20 O ATOM 805 CB ASP A 50 -0.494 -21.520 3.067 1.00 74.50 C ATOM 806 CG ASP A 50 -1.985 -21.360 2.842 1.00 1.43 C ATOM 807 OD1 ASP A 50 -2.478 -20.210 2.907 1.00 22.20 O ATOM 808 OD2 ASP A 50 -2.661 -22.380 2.603 1.00 1.33 O ATOM 0 H ASP A 50 1.661 -21.915 1.943 1.00 65.10 H new ATOM 0 HA ASP A 50 -0.281 -19.930 1.643 1.00 34.30 H new ATOM 0 HB2 ASP A 50 -0.167 -22.474 2.654 1.00 74.50 H new ATOM 0 HB3 ASP A 50 -0.292 -21.550 4.138 1.00 74.50 H new ATOM 813 N LYS A 51 1.748 -19.520 4.186 1.00 5.11 N ATOM 814 CA LYS A 51 2.172 -18.580 5.219 1.00 34.30 C ATOM 815 C LYS A 51 2.419 -17.200 4.631 1.00 64.40 C ATOM 816 O LYS A 51 1.919 -16.200 5.143 1.00 12.20 O ATOM 817 CB LYS A 51 3.439 -19.090 5.909 1.00 1.44 C ATOM 818 CG LYS A 51 3.165 -20.060 7.049 1.00 61.00 C ATOM 819 CD LYS A 51 3.325 -19.390 8.404 1.00 51.50 C ATOM 820 CE LYS A 51 3.029 -20.350 9.542 1.00 60.20 C ATOM 821 NZ LYS A 51 3.999 -20.200 10.662 1.00 45.30 N ATOM 0 H LYS A 51 2.371 -20.318 4.063 1.00 5.11 H new ATOM 0 HA LYS A 51 1.372 -18.500 5.955 1.00 34.30 H new ATOM 0 HB2 LYS A 51 4.072 -19.581 5.170 1.00 1.44 H new ATOM 0 HB3 LYS A 51 4.000 -18.239 6.295 1.00 1.44 H new ATOM 0 HG2 LYS A 51 2.154 -20.456 6.955 1.00 61.00 H new ATOM 0 HG3 LYS A 51 3.847 -20.907 6.979 1.00 61.00 H new ATOM 0 HD2 LYS A 51 4.341 -19.009 8.504 1.00 51.50 H new ATOM 0 HD3 LYS A 51 2.655 -18.532 8.468 1.00 51.50 H new ATOM 0 HE2 LYS A 51 2.018 -20.175 9.911 1.00 60.20 H new ATOM 0 HE3 LYS A 51 3.059 -21.374 9.170 1.00 60.20 H new ATOM 0 HZ1 LYS A 51 3.762 -20.873 11.419 1.00 45.30 H new ATOM 0 HZ2 LYS A 51 4.961 -20.392 10.316 1.00 45.30 H new ATOM 0 HZ3 LYS A 51 3.952 -19.230 11.034 1.00 45.30 H new ATOM 835 N ALA A 52 3.196 -17.150 3.553 1.00 13.10 N ATOM 836 CA ALA A 52 3.511 -15.880 2.897 1.00 71.50 C ATOM 837 C ALA A 52 2.313 -15.360 2.114 1.00 43.10 C ATOM 838 O ALA A 52 2.087 -14.150 2.045 1.00 13.10 O ATOM 839 CB ALA A 52 4.710 -16.050 1.976 1.00 42.40 C ATOM 0 H ALA A 52 3.618 -17.969 3.115 1.00 13.10 H new ATOM 0 HA ALA A 52 3.756 -15.148 3.667 1.00 71.50 H new ATOM 0 HB1 ALA A 52 4.936 -15.099 1.493 1.00 42.40 H new ATOM 0 HB2 ALA A 52 5.572 -16.375 2.558 1.00 42.40 H new ATOM 0 HB3 ALA A 52 4.482 -16.798 1.216 1.00 42.40 H new ATOM 845 N LYS A 53 1.548 -16.270 1.526 1.00 2.42 N ATOM 846 CA LYS A 53 0.373 -15.900 0.748 1.00 23.30 C ATOM 847 C LYS A 53 -0.708 -15.300 1.645 1.00 41.40 C ATOM 848 O LYS A 53 -1.412 -14.370 1.251 1.00 34.20 O ATOM 849 CB LYS A 53 -0.181 -17.110 0.005 1.00 62.30 C ATOM 850 CG LYS A 53 -0.735 -16.790 -1.372 1.00 50.10 C ATOM 851 CD LYS A 53 -0.894 -18.040 -2.221 1.00 71.30 C ATOM 852 CE LYS A 53 -2.074 -17.920 -3.172 1.00 21.20 C ATOM 853 NZ LYS A 53 -2.812 -19.200 -3.306 1.00 35.10 N ATOM 0 H LYS A 53 1.721 -17.274 1.573 1.00 2.42 H new ATOM 0 HA LYS A 53 0.677 -15.148 0.020 1.00 23.30 H new ATOM 0 HB2 LYS A 53 0.609 -17.854 -0.097 1.00 62.30 H new ATOM 0 HB3 LYS A 53 -0.970 -17.563 0.606 1.00 62.30 H new ATOM 0 HG2 LYS A 53 -1.701 -16.295 -1.269 1.00 50.10 H new ATOM 0 HG3 LYS A 53 -0.070 -16.090 -1.877 1.00 50.10 H new ATOM 0 HD2 LYS A 53 0.019 -18.212 -2.792 1.00 71.30 H new ATOM 0 HD3 LYS A 53 -1.033 -18.906 -1.574 1.00 71.30 H new ATOM 0 HE2 LYS A 53 -2.752 -17.146 -2.812 1.00 21.20 H new ATOM 0 HE3 LYS A 53 -1.719 -17.602 -4.152 1.00 21.20 H new ATOM 0 HZ1 LYS A 53 -3.608 -19.074 -3.963 1.00 35.10 H new ATOM 0 HZ2 LYS A 53 -2.172 -19.933 -3.674 1.00 35.10 H new ATOM 0 HZ3 LYS A 53 -3.174 -19.491 -2.375 1.00 35.10 H new ATOM 867 N GLU A 54 -0.836 -15.840 2.851 1.00 3.32 N ATOM 868 CA GLU A 54 -1.831 -15.360 3.803 1.00 62.30 C ATOM 869 C GLU A 54 -1.418 -14.020 4.398 1.00 4.53 C ATOM 870 O GLU A 54 -2.258 -13.150 4.640 1.00 73.30 O ATOM 871 CB GLU A 54 -2.031 -16.390 4.920 1.00 33.10 C ATOM 872 CG GLU A 54 -3.387 -16.290 5.599 1.00 55.50 C ATOM 873 CD GLU A 54 -3.497 -17.200 6.811 1.00 3.01 C ATOM 874 OE1 GLU A 54 -2.992 -16.820 7.887 1.00 12.30 O ATOM 875 OE2 GLU A 54 -4.090 -18.290 6.684 1.00 53.10 O ATOM 0 H GLU A 54 -0.263 -16.611 3.193 1.00 3.32 H new ATOM 0 HA GLU A 54 -2.771 -15.221 3.270 1.00 62.30 H new ATOM 0 HB2 GLU A 54 -1.914 -17.391 4.506 1.00 33.10 H new ATOM 0 HB3 GLU A 54 -1.248 -16.261 5.668 1.00 33.10 H new ATOM 0 HG2 GLU A 54 -3.562 -15.259 5.906 1.00 55.50 H new ATOM 0 HG3 GLU A 54 -4.168 -16.546 4.884 1.00 55.50 H new ATOM 882 N SER A 55 -0.121 -13.860 4.633 1.00 61.40 N ATOM 883 CA SER A 55 0.403 -12.620 5.201 1.00 3.42 C ATOM 884 C SER A 55 0.189 -11.450 4.251 1.00 73.20 C ATOM 885 O SER A 55 -0.230 -10.370 4.665 1.00 5.31 O ATOM 886 CB SER A 55 1.892 -12.770 5.516 1.00 1.33 C ATOM 887 OG SER A 55 2.094 -13.610 6.641 1.00 65.30 O ATOM 0 H SER A 55 0.586 -14.569 4.441 1.00 61.40 H new ATOM 0 HA SER A 55 -0.140 -12.416 6.124 1.00 3.42 H new ATOM 0 HB2 SER A 55 2.410 -13.185 4.651 1.00 1.33 H new ATOM 0 HB3 SER A 55 2.327 -11.789 5.708 1.00 1.33 H new ATOM 0 HG SER A 55 2.055 -14.548 6.360 1.00 65.30 H new ATOM 893 N ILE A 56 0.483 -11.670 2.973 1.00 55.10 N ATOM 894 CA ILE A 56 0.325 -10.630 1.962 1.00 63.50 C ATOM 895 C ILE A 56 -1.148 -10.330 1.698 1.00 60.20 C ATOM 896 O ILE A 56 -1.544 -9.182 1.554 1.00 62.50 O ATOM 897 CB ILE A 56 1.005 -11.020 0.637 1.00 52.00 C ATOM 898 CG1 ILE A 56 2.443 -11.480 0.888 1.00 4.10 C ATOM 899 CG2 ILE A 56 0.979 -9.862 -0.341 1.00 51.30 C ATOM 900 CD1 ILE A 56 2.909 -12.560 -0.066 1.00 54.50 C ATOM 0 H ILE A 56 0.832 -12.558 2.613 1.00 55.10 H new ATOM 0 HA ILE A 56 0.807 -9.736 2.358 1.00 63.50 H new ATOM 0 HB ILE A 56 0.449 -11.849 0.198 1.00 52.00 H new ATOM 0 HG12 ILE A 56 3.110 -10.622 0.806 1.00 4.10 H new ATOM 0 HG13 ILE A 56 2.524 -11.850 1.910 1.00 4.10 H new ATOM 0 HG21 ILE A 56 1.465 -10.160 -1.270 1.00 51.30 H new ATOM 0 HG22 ILE A 56 -0.054 -9.581 -0.545 1.00 51.30 H new ATOM 0 HG23 ILE A 56 1.508 -9.011 0.088 1.00 51.30 H new ATOM 0 HD11 ILE A 56 3.936 -12.837 0.171 1.00 54.50 H new ATOM 0 HD12 ILE A 56 2.266 -13.435 0.032 1.00 54.50 H new ATOM 0 HD13 ILE A 56 2.861 -12.187 -1.089 1.00 54.50 H new ATOM 912 N ARG A 57 -1.955 -11.390 1.633 1.00 21.30 N ATOM 913 CA ARG A 57 -3.384 -11.240 1.382 1.00 3.44 C ATOM 914 C ARG A 57 -4.045 -10.390 2.462 1.00 42.50 C ATOM 915 O ARG A 57 -4.808 -9.476 2.162 1.00 61.50 O ATOM 916 CB ARG A 57 -4.056 -12.610 1.318 1.00 65.20 C ATOM 917 CG ARG A 57 -5.330 -12.630 0.490 1.00 34.20 C ATOM 918 CD ARG A 57 -5.029 -12.790 -0.992 1.00 20.50 C ATOM 919 NE ARG A 57 -6.189 -12.470 -1.822 1.00 71.30 N ATOM 920 CZ ARG A 57 -6.577 -11.230 -2.106 1.00 32.30 C ATOM 921 NH1 ARG A 57 -5.903 -10.190 -1.630 1.00 25.50 N ATOM 922 NH2 ARG A 57 -7.643 -11.020 -2.868 1.00 74.30 N ATOM 0 H ARG A 57 -1.644 -12.354 1.750 1.00 21.30 H new ATOM 0 HA ARG A 57 -3.505 -10.734 0.424 1.00 3.44 H new ATOM 0 HB2 ARG A 57 -3.352 -13.331 0.902 1.00 65.20 H new ATOM 0 HB3 ARG A 57 -4.287 -12.939 2.331 1.00 65.20 H new ATOM 0 HG2 ARG A 57 -5.969 -13.448 0.823 1.00 34.20 H new ATOM 0 HG3 ARG A 57 -5.885 -11.706 0.652 1.00 34.20 H new ATOM 0 HD2 ARG A 57 -4.197 -12.141 -1.265 1.00 20.50 H new ATOM 0 HD3 ARG A 57 -4.713 -13.814 -1.190 1.00 20.50 H new ATOM 0 HE ARG A 57 -6.733 -13.243 -2.206 1.00 71.30 H new ATOM 0 HH11 ARG A 57 -5.082 -10.340 -1.043 1.00 25.50 H new ATOM 0 HH12 ARG A 57 -6.206 -9.241 -1.851 1.00 25.50 H new ATOM 0 HH21 ARG A 57 -8.169 -11.812 -3.239 1.00 74.30 H new ATOM 0 HH22 ARG A 57 -7.937 -10.067 -3.083 1.00 74.30 H new ATOM 936 N ALA A 58 -3.749 -10.700 3.719 1.00 14.20 N ATOM 937 CA ALA A 58 -4.315 -9.969 4.843 1.00 61.00 C ATOM 938 C ALA A 58 -3.807 -8.532 4.874 1.00 64.40 C ATOM 939 O ALA A 58 -4.498 -7.629 5.346 1.00 31.20 O ATOM 940 CB ALA A 58 -3.990 -10.670 6.152 1.00 32.20 C ATOM 0 H ALA A 58 -3.118 -11.456 3.984 1.00 14.20 H new ATOM 0 HA ALA A 58 -5.397 -9.945 4.717 1.00 61.00 H new ATOM 0 HB1 ALA A 58 -4.421 -10.110 6.982 1.00 32.20 H new ATOM 0 HB2 ALA A 58 -4.407 -11.677 6.139 1.00 32.20 H new ATOM 0 HB3 ALA A 58 -2.909 -10.727 6.276 1.00 32.20 H new ATOM 946 N LYS A 59 -2.595 -8.326 4.370 1.00 63.40 N ATOM 947 CA LYS A 59 -1.993 -6.996 4.342 1.00 24.40 C ATOM 948 C LYS A 59 -2.741 -6.080 3.378 1.00 10.40 C ATOM 949 O LYS A 59 -2.882 -4.883 3.628 1.00 41.40 O ATOM 950 CB LYS A 59 -0.519 -7.091 3.941 1.00 62.10 C ATOM 951 CG LYS A 59 0.427 -6.449 4.944 1.00 4.03 C ATOM 952 CD LYS A 59 1.013 -7.478 5.898 1.00 65.50 C ATOM 953 CE LYS A 59 2.519 -7.314 6.040 1.00 14.50 C ATOM 954 NZ LYS A 59 3.215 -8.628 6.111 1.00 65.40 N ATOM 0 H LYS A 59 -2.010 -9.062 3.975 1.00 63.40 H new ATOM 0 HA LYS A 59 -2.062 -6.570 5.343 1.00 24.40 H new ATOM 0 HB2 LYS A 59 -0.251 -8.141 3.821 1.00 62.10 H new ATOM 0 HB3 LYS A 59 -0.384 -6.615 2.970 1.00 62.10 H new ATOM 0 HG2 LYS A 59 1.233 -5.944 4.413 1.00 4.03 H new ATOM 0 HG3 LYS A 59 -0.107 -5.687 5.512 1.00 4.03 H new ATOM 0 HD2 LYS A 59 0.542 -7.379 6.876 1.00 65.50 H new ATOM 0 HD3 LYS A 59 0.788 -8.481 5.536 1.00 65.50 H new ATOM 0 HE2 LYS A 59 2.904 -6.744 5.194 1.00 14.50 H new ATOM 0 HE3 LYS A 59 2.739 -6.738 6.939 1.00 14.50 H new ATOM 0 HZ1 LYS A 59 4.239 -8.474 6.207 1.00 65.40 H new ATOM 0 HZ2 LYS A 59 2.866 -9.162 6.933 1.00 65.40 H new ATOM 0 HZ3 LYS A 59 3.027 -9.168 5.242 1.00 65.40 H new ATOM 968 N CYS A 60 -3.216 -6.649 2.275 1.00 72.30 N ATOM 969 CA CYS A 60 -3.948 -5.882 1.272 1.00 63.40 C ATOM 970 C CYS A 60 -5.291 -5.408 1.817 1.00 54.10 C ATOM 971 O CYS A 60 -5.755 -4.317 1.489 1.00 65.50 O ATOM 972 CB CYS A 60 -4.164 -6.725 0.015 1.00 63.10 C ATOM 973 SG CYS A 60 -2.844 -6.576 -1.212 1.00 72.40 S ATOM 0 H CYS A 60 -3.107 -7.638 2.052 1.00 72.30 H new ATOM 0 HA CYS A 60 -3.352 -5.005 1.017 1.00 63.40 H new ATOM 0 HB2 CYS A 60 -4.259 -7.771 0.305 1.00 63.10 H new ATOM 0 HB3 CYS A 60 -5.108 -6.435 -0.446 1.00 63.10 H new ATOM 0 HG CYS A 60 -2.878 -7.600 -2.013 1.00 72.40 H new ATOM 979 N VAL A 61 -5.913 -6.236 2.650 1.00 30.30 N ATOM 980 CA VAL A 61 -7.205 -5.902 3.239 1.00 61.30 C ATOM 981 C VAL A 61 -7.089 -4.707 4.180 1.00 10.10 C ATOM 982 O VAL A 61 -7.981 -3.861 4.235 1.00 13.20 O ATOM 983 CB VAL A 61 -7.796 -7.096 4.013 1.00 54.10 C ATOM 984 CG1 VAL A 61 -9.208 -6.782 4.484 1.00 74.10 C ATOM 985 CG2 VAL A 61 -7.782 -8.352 3.153 1.00 21.10 C ATOM 0 H VAL A 61 -5.543 -7.144 2.933 1.00 30.30 H new ATOM 0 HA VAL A 61 -7.871 -5.648 2.415 1.00 61.30 H new ATOM 0 HB VAL A 61 -7.176 -7.277 4.891 1.00 54.10 H new ATOM 0 HG11 VAL A 61 -9.609 -7.637 5.028 1.00 74.10 H new ATOM 0 HG12 VAL A 61 -9.188 -5.911 5.140 1.00 74.10 H new ATOM 0 HG13 VAL A 61 -9.841 -6.572 3.622 1.00 74.10 H new ATOM 0 HG21 VAL A 61 -8.203 -9.184 3.717 1.00 21.10 H new ATOM 0 HG22 VAL A 61 -8.377 -8.185 2.255 1.00 21.10 H new ATOM 0 HG23 VAL A 61 -6.756 -8.588 2.870 1.00 21.10 H new ATOM 995 N GLN A 62 -5.987 -4.648 4.920 1.00 44.20 N ATOM 996 CA GLN A 62 -5.757 -3.557 5.862 1.00 64.40 C ATOM 997 C GLN A 62 -5.368 -2.276 5.132 1.00 73.30 C ATOM 998 O GLN A 62 -5.822 -1.187 5.485 1.00 4.24 O ATOM 999 CB GLN A 62 -4.664 -3.941 6.861 1.00 71.00 C ATOM 1000 CG GLN A 62 -4.921 -3.429 8.269 1.00 41.40 C ATOM 1001 CD GLN A 62 -3.709 -2.746 8.873 1.00 73.30 C ATOM 1002 OE1 GLN A 62 -3.015 -3.317 9.713 1.00 53.40 O ATOM 1003 NE2 GLN A 62 -3.451 -1.516 8.445 1.00 63.30 N ATOM 0 H GLN A 62 -5.240 -5.341 4.886 1.00 44.20 H new ATOM 0 HA GLN A 62 -6.687 -3.376 6.401 1.00 64.40 H new ATOM 0 HB2 GLN A 62 -4.574 -5.027 6.889 1.00 71.00 H new ATOM 0 HB3 GLN A 62 -3.709 -3.551 6.510 1.00 71.00 H new ATOM 0 HG2 GLN A 62 -5.756 -2.729 8.250 1.00 41.40 H new ATOM 0 HG3 GLN A 62 -5.218 -4.262 8.906 1.00 41.40 H new ATOM 0 HE21 GLN A 62 -4.055 -1.082 7.747 1.00 63.30 H new ATOM 0 HE22 GLN A 62 -2.649 -1.005 8.815 1.00 63.30 H new ATOM 1012 N TYR A 63 -4.524 -2.412 4.115 1.00 0.24 N ATOM 1013 CA TYR A 63 -4.071 -1.263 3.338 1.00 21.10 C ATOM 1014 C TYR A 63 -5.224 -0.645 2.553 1.00 40.20 C ATOM 1015 O TYR A 63 -5.291 0.573 2.388 1.00 15.00 O ATOM 1016 CB TYR A 63 -2.952 -1.678 2.381 1.00 65.10 C ATOM 1017 CG TYR A 63 -1.632 -1.943 3.070 1.00 4.52 C ATOM 1018 CD1 TYR A 63 -1.089 -1.017 3.951 1.00 64.00 C ATOM 1019 CD2 TYR A 63 -0.931 -3.120 2.840 1.00 11.30 C ATOM 1020 CE1 TYR A 63 0.117 -1.255 4.582 1.00 13.30 C ATOM 1021 CE2 TYR A 63 0.276 -3.365 3.467 1.00 54.20 C ATOM 1022 CZ TYR A 63 0.795 -2.431 4.337 1.00 5.30 C ATOM 1023 OH TYR A 63 1.996 -2.671 4.964 1.00 41.10 O ATOM 0 H TYR A 63 -4.140 -3.306 3.809 1.00 0.24 H new ATOM 0 HA TYR A 63 -3.688 -0.516 4.033 1.00 21.10 H new ATOM 0 HB2 TYR A 63 -3.259 -2.576 1.845 1.00 65.10 H new ATOM 0 HB3 TYR A 63 -2.813 -0.894 1.637 1.00 65.10 H new ATOM 0 HD1 TYR A 63 -1.618 -0.096 4.146 1.00 64.00 H new ATOM 0 HD2 TYR A 63 -1.336 -3.855 2.160 1.00 11.30 H new ATOM 0 HE1 TYR A 63 0.527 -0.524 5.263 1.00 13.30 H new ATOM 0 HE2 TYR A 63 0.810 -4.284 3.276 1.00 54.20 H new ATOM 0 HH TYR A 63 2.343 -3.544 4.684 1.00 41.10 H new ATOM 1033 N LEU A 64 -6.127 -1.490 2.069 1.00 63.50 N ATOM 1034 CA LEU A 64 -7.275 -1.025 1.299 1.00 21.30 C ATOM 1035 C LEU A 64 -8.251 -0.256 2.182 1.00 54.40 C ATOM 1036 O LEU A 64 -8.945 0.648 1.715 1.00 63.40 O ATOM 1037 CB LEU A 64 -7.988 -2.210 0.644 1.00 71.40 C ATOM 1038 CG LEU A 64 -7.438 -2.621 -0.723 1.00 34.40 C ATOM 1039 CD1 LEU A 64 -7.713 -4.094 -0.988 1.00 14.30 C ATOM 1040 CD2 LEU A 64 -8.041 -1.758 -1.821 1.00 71.10 C ATOM 0 H LEU A 64 -6.086 -2.501 2.196 1.00 63.50 H new ATOM 0 HA LEU A 64 -6.910 -0.352 0.523 1.00 21.30 H new ATOM 0 HB2 LEU A 64 -7.928 -3.067 1.315 1.00 71.40 H new ATOM 0 HB3 LEU A 64 -9.044 -1.964 0.535 1.00 71.40 H new ATOM 0 HG LEU A 64 -6.359 -2.469 -0.720 1.00 34.40 H new ATOM 0 HD11 LEU A 64 -7.315 -4.368 -1.965 1.00 14.30 H new ATOM 0 HD12 LEU A 64 -7.233 -4.698 -0.218 1.00 14.30 H new ATOM 0 HD13 LEU A 64 -8.788 -4.272 -0.971 1.00 14.30 H new ATOM 0 HD21 LEU A 64 -7.639 -2.064 -2.787 1.00 71.10 H new ATOM 0 HD22 LEU A 64 -9.124 -1.878 -1.825 1.00 71.10 H new ATOM 0 HD23 LEU A 64 -7.793 -0.712 -1.640 1.00 71.10 H new ATOM 1052 N ASP A 65 -8.304 -0.619 3.459 1.00 22.10 N ATOM 1053 CA ASP A 65 -9.199 0.038 4.405 1.00 22.10 C ATOM 1054 C ASP A 65 -8.673 1.417 4.793 1.00 62.30 C ATOM 1055 O ASP A 65 -9.447 2.324 5.097 1.00 51.00 O ATOM 1056 CB ASP A 65 -9.375 -0.827 5.656 1.00 53.30 C ATOM 1057 CG ASP A 65 -10.820 -0.913 6.101 1.00 14.00 C ATOM 1058 OD1 ASP A 65 -11.590 -1.645 5.454 1.00 72.20 O ATOM 1059 OD2 ASP A 65 -11.170 -0.248 7.097 1.00 31.00 O ATOM 0 H ASP A 65 -7.738 -1.365 3.863 1.00 22.10 H new ATOM 0 HA ASP A 65 -10.167 0.166 3.920 1.00 22.10 H new ATOM 0 HB2 ASP A 65 -8.999 -1.830 5.456 1.00 53.30 H new ATOM 0 HB3 ASP A 65 -8.772 -0.416 6.466 1.00 53.30 H new ATOM 1064 N ARG A 66 -7.352 1.567 4.782 1.00 62.30 N ATOM 1065 CA ARG A 66 -6.724 2.835 5.135 1.00 4.05 C ATOM 1066 C ARG A 66 -6.822 3.833 3.986 1.00 1.33 C ATOM 1067 O ARG A 66 -6.913 5.041 4.206 1.00 1.33 O ATOM 1068 CB ARG A 66 -5.258 2.613 5.512 1.00 41.20 C ATOM 1069 CG ARG A 66 -5.030 2.462 7.006 1.00 61.20 C ATOM 1070 CD ARG A 66 -4.644 3.784 7.648 1.00 42.40 C ATOM 1071 NE ARG A 66 -5.794 4.457 8.250 1.00 41.40 N ATOM 1072 CZ ARG A 66 -5.712 5.597 8.932 1.00 40.40 C ATOM 1073 NH1 ARG A 66 -4.539 6.195 9.101 1.00 55.20 N ATOM 1074 NH2 ARG A 66 -6.806 6.141 9.447 1.00 24.50 N ATOM 0 H ARG A 66 -6.696 0.827 4.533 1.00 62.30 H new ATOM 0 HA ARG A 66 -7.255 3.248 5.993 1.00 4.05 H new ATOM 0 HB2 ARG A 66 -4.893 1.720 5.005 1.00 41.20 H new ATOM 0 HB3 ARG A 66 -4.666 3.452 5.146 1.00 41.20 H new ATOM 0 HG2 ARG A 66 -5.936 2.079 7.476 1.00 61.20 H new ATOM 0 HG3 ARG A 66 -4.244 1.728 7.183 1.00 61.20 H new ATOM 0 HD2 ARG A 66 -3.886 3.609 8.411 1.00 42.40 H new ATOM 0 HD3 ARG A 66 -4.196 4.434 6.897 1.00 42.40 H new ATOM 0 HE ARG A 66 -6.713 4.028 8.141 1.00 41.40 H new ATOM 0 HH11 ARG A 66 -3.694 5.781 8.707 1.00 55.20 H new ATOM 0 HH12 ARG A 66 -4.483 7.069 9.625 1.00 55.20 H new ATOM 0 HH21 ARG A 66 -7.710 5.686 9.320 1.00 24.50 H new ATOM 0 HH22 ARG A 66 -6.744 7.015 9.970 1.00 24.50 H new ATOM 1088 N ALA A 67 -6.802 3.322 2.759 1.00 32.10 N ATOM 1089 CA ALA A 67 -6.885 4.171 1.576 1.00 60.30 C ATOM 1090 C ALA A 67 -8.287 4.748 1.408 1.00 20.30 C ATOM 1091 O ALA A 67 -8.458 5.836 0.858 1.00 61.00 O ATOM 1092 CB ALA A 67 -6.485 3.385 0.336 1.00 74.40 C ATOM 0 H ALA A 67 -6.729 2.325 2.558 1.00 32.10 H new ATOM 0 HA ALA A 67 -6.193 5.003 1.708 1.00 60.30 H new ATOM 0 HB1 ALA A 67 -6.551 4.030 -0.540 1.00 74.40 H new ATOM 0 HB2 ALA A 67 -5.461 3.027 0.447 1.00 74.40 H new ATOM 0 HB3 ALA A 67 -7.156 2.535 0.212 1.00 74.40 H new ATOM 1098 N GLU A 68 -9.287 4.014 1.882 1.00 31.10 N ATOM 1099 CA GLU A 68 -10.670 4.455 1.781 1.00 61.10 C ATOM 1100 C GLU A 68 -10.930 5.646 2.697 1.00 63.30 C ATOM 1101 O GLU A 68 -11.630 6.588 2.320 1.00 34.00 O ATOM 1102 CB GLU A 68 -11.620 3.305 2.130 1.00 10.50 C ATOM 1103 CG GLU A 68 -12.160 2.576 0.913 1.00 75.30 C ATOM 1104 CD GLU A 68 -13.430 3.214 0.370 1.00 20.10 C ATOM 1105 OE1 GLU A 68 -13.360 4.374 -0.084 1.00 51.30 O ATOM 1106 OE2 GLU A 68 -14.490 2.551 0.399 1.00 33.20 O ATOM 0 H GLU A 68 -9.164 3.111 2.340 1.00 31.10 H new ATOM 0 HA GLU A 68 -10.853 4.767 0.753 1.00 61.10 H new ATOM 0 HB2 GLU A 68 -11.097 2.593 2.768 1.00 10.50 H new ATOM 0 HB3 GLU A 68 -12.456 3.698 2.709 1.00 10.50 H new ATOM 0 HG2 GLU A 68 -11.400 2.566 0.132 1.00 75.30 H new ATOM 0 HG3 GLU A 68 -12.362 1.537 1.175 1.00 75.30 H new ATOM 1113 N LYS A 69 -10.380 5.595 3.903 1.00 33.40 N ATOM 1114 CA LYS A 69 -10.560 6.670 4.872 1.00 14.40 C ATOM 1115 C LYS A 69 -9.830 7.935 4.430 1.00 75.10 C ATOM 1116 O LYS A 69 -10.310 9.047 4.638 1.00 72.40 O ATOM 1117 CB LYS A 69 -10.050 6.232 6.249 1.00 2.11 C ATOM 1118 CG LYS A 69 -10.610 7.065 7.394 1.00 71.50 C ATOM 1119 CD LYS A 69 -12.020 6.635 7.762 1.00 41.10 C ATOM 1120 CE LYS A 69 -13.000 7.797 7.679 1.00 35.20 C ATOM 1121 NZ LYS A 69 -13.100 8.530 8.971 1.00 52.30 N ATOM 0 H LYS A 69 -9.805 4.821 4.235 1.00 33.40 H new ATOM 0 HA LYS A 69 -11.625 6.891 4.935 1.00 14.40 H new ATOM 0 HB2 LYS A 69 -10.311 5.186 6.409 1.00 2.11 H new ATOM 0 HB3 LYS A 69 -8.962 6.295 6.262 1.00 2.11 H new ATOM 0 HG2 LYS A 69 -9.961 6.970 8.265 1.00 71.50 H new ATOM 0 HG3 LYS A 69 -10.612 8.118 7.111 1.00 71.50 H new ATOM 0 HD2 LYS A 69 -12.344 5.837 7.094 1.00 41.10 H new ATOM 0 HD3 LYS A 69 -12.024 6.226 8.772 1.00 41.10 H new ATOM 0 HE2 LYS A 69 -12.683 8.484 6.895 1.00 35.20 H new ATOM 0 HE3 LYS A 69 -13.984 7.423 7.396 1.00 35.20 H new ATOM 0 HZ1 LYS A 69 -13.777 9.314 8.874 1.00 52.30 H new ATOM 0 HZ2 LYS A 69 -13.427 7.880 9.714 1.00 52.30 H new ATOM 0 HZ3 LYS A 69 -12.166 8.909 9.228 1.00 52.30 H new ATOM 1135 N LEU A 70 -8.663 7.756 3.821 1.00 64.20 N ATOM 1136 CA LEU A 70 -7.864 8.883 3.350 1.00 4.44 C ATOM 1137 C LEU A 70 -8.621 9.687 2.297 1.00 40.30 C ATOM 1138 O LEU A 70 -8.595 10.918 2.305 1.00 35.30 O ATOM 1139 CB LEU A 70 -6.537 8.389 2.773 1.00 33.40 C ATOM 1140 CG LEU A 70 -5.550 7.835 3.802 1.00 71.20 C ATOM 1141 CD1 LEU A 70 -4.389 7.141 3.106 1.00 31.20 C ATOM 1142 CD2 LEU A 70 -5.044 8.948 4.707 1.00 74.40 C ATOM 0 H LEU A 70 -8.249 6.841 3.642 1.00 64.20 H new ATOM 0 HA LEU A 70 -7.663 9.533 4.202 1.00 4.44 H new ATOM 0 HB2 LEU A 70 -6.745 7.613 2.037 1.00 33.40 H new ATOM 0 HB3 LEU A 70 -6.060 9.213 2.242 1.00 33.40 H new ATOM 0 HG LEU A 70 -6.069 7.101 4.418 1.00 71.20 H new ATOM 0 HD11 LEU A 70 -3.697 6.753 3.853 1.00 31.20 H new ATOM 0 HD12 LEU A 70 -4.768 6.318 2.500 1.00 31.20 H new ATOM 0 HD13 LEU A 70 -3.870 7.854 2.466 1.00 31.20 H new ATOM 0 HD21 LEU A 70 -4.343 8.536 5.433 1.00 74.40 H new ATOM 0 HD22 LEU A 70 -4.541 9.705 4.106 1.00 74.40 H new ATOM 0 HD23 LEU A 70 -5.885 9.401 5.232 1.00 74.40 H new ATOM 1154 N LYS A 71 -9.291 8.984 1.391 1.00 44.00 N ATOM 1155 CA LYS A 71 -10.050 9.632 0.328 1.00 1.24 C ATOM 1156 C LYS A 71 -11.230 10.413 0.898 1.00 52.20 C ATOM 1157 O LYS A 71 -11.460 11.561 0.521 1.00 1.11 O ATOM 1158 CB LYS A 71 -10.550 8.592 -0.675 1.00 73.30 C ATOM 1159 CG LYS A 71 -10.610 9.107 -2.105 1.00 31.50 C ATOM 1160 CD LYS A 71 -11.710 8.420 -2.898 1.00 31.30 C ATOM 1161 CE LYS A 71 -11.270 8.152 -4.330 1.00 11.00 C ATOM 1162 NZ LYS A 71 -12.300 7.390 -5.089 1.00 0.31 N ATOM 0 H LYS A 71 -9.324 7.965 1.371 1.00 44.00 H new ATOM 0 HA LYS A 71 -9.388 10.332 -0.182 1.00 1.24 H new ATOM 0 HB2 LYS A 71 -9.897 7.720 -0.638 1.00 73.30 H new ATOM 0 HB3 LYS A 71 -11.544 8.258 -0.375 1.00 73.30 H new ATOM 0 HG2 LYS A 71 -10.782 10.183 -2.098 1.00 31.50 H new ATOM 0 HG3 LYS A 71 -9.650 8.941 -2.593 1.00 31.50 H new ATOM 0 HD2 LYS A 71 -11.978 7.480 -2.415 1.00 31.30 H new ATOM 0 HD3 LYS A 71 -12.604 9.043 -2.900 1.00 31.30 H new ATOM 0 HE2 LYS A 71 -11.073 9.099 -4.833 1.00 11.00 H new ATOM 0 HE3 LYS A 71 -10.334 7.593 -4.325 1.00 11.00 H new ATOM 0 HZ1 LYS A 71 -11.965 7.226 -6.060 1.00 0.31 H new ATOM 0 HZ2 LYS A 71 -12.470 6.476 -4.622 1.00 0.31 H new ATOM 0 HZ3 LYS A 71 -13.185 7.935 -5.115 1.00 0.31 H new ATOM 1176 N ASP A 72 -11.970 9.783 1.804 1.00 63.30 N ATOM 1177 CA ASP A 72 -13.130 10.419 2.422 1.00 44.20 C ATOM 1178 C ASP A 72 -12.720 11.663 3.205 1.00 53.10 C ATOM 1179 O ASP A 72 -13.500 12.603 3.348 1.00 14.40 O ATOM 1180 CB ASP A 72 -13.840 9.433 3.346 1.00 73.10 C ATOM 1181 CG ASP A 72 -14.860 8.587 2.611 1.00 12.20 C ATOM 1182 OD1 ASP A 72 -14.480 7.515 2.093 1.00 31.20 O ATOM 1183 OD2 ASP A 72 -16.040 8.998 2.551 1.00 42.10 O ATOM 0 H ASP A 72 -11.788 8.833 2.127 1.00 63.30 H new ATOM 0 HA ASP A 72 -13.813 10.723 1.628 1.00 44.20 H new ATOM 0 HB2 ASP A 72 -13.102 8.782 3.815 1.00 73.10 H new ATOM 0 HB3 ASP A 72 -14.336 9.982 4.147 1.00 73.10 H new ATOM 1188 N TYR A 73 -11.490 11.661 3.713 1.00 43.10 N ATOM 1189 CA TYR A 73 -10.980 12.790 4.486 1.00 43.40 C ATOM 1190 C TYR A 73 -10.590 13.950 3.576 1.00 42.10 C ATOM 1191 O TYR A 73 -10.990 15.092 3.805 1.00 60.10 O ATOM 1192 CB TYR A 73 -9.778 12.358 5.323 1.00 31.10 C ATOM 1193 CG TYR A 73 -9.210 13.464 6.182 1.00 72.40 C ATOM 1194 CD1 TYR A 73 -8.262 14.346 5.677 1.00 74.50 C ATOM 1195 CD2 TYR A 73 -9.620 13.626 7.500 1.00 2.34 C ATOM 1196 CE1 TYR A 73 -7.741 15.358 6.459 1.00 20.40 C ATOM 1197 CE2 TYR A 73 -9.102 14.636 8.289 1.00 72.50 C ATOM 1198 CZ TYR A 73 -8.163 15.499 7.764 1.00 52.30 C ATOM 1199 OH TYR A 73 -7.645 16.505 8.547 1.00 1.03 O ATOM 0 H TYR A 73 -10.829 10.892 3.604 1.00 43.10 H new ATOM 0 HA TYR A 73 -11.776 13.129 5.149 1.00 43.40 H new ATOM 0 HB2 TYR A 73 -10.072 11.526 5.963 1.00 31.10 H new ATOM 0 HB3 TYR A 73 -8.997 11.988 4.658 1.00 31.10 H new ATOM 0 HD1 TYR A 73 -7.927 14.238 4.656 1.00 74.50 H new ATOM 0 HD2 TYR A 73 -10.355 12.952 7.914 1.00 2.34 H new ATOM 0 HE1 TYR A 73 -7.006 16.036 6.050 1.00 20.40 H new ATOM 0 HE2 TYR A 73 -9.431 14.749 9.311 1.00 72.50 H new ATOM 0 HH TYR A 73 -8.049 16.466 9.439 1.00 1.03 H new ATOM 1209 N LEU A 74 -9.810 13.655 2.546 1.00 52.10 N ATOM 1210 CA LEU A 74 -9.367 14.678 1.605 1.00 32.00 C ATOM 1211 C LEU A 74 -10.520 15.183 0.754 1.00 52.30 C ATOM 1212 O LEU A 74 -10.550 16.344 0.346 1.00 24.20 O ATOM 1213 CB LEU A 74 -8.259 14.128 0.704 1.00 20.40 C ATOM 1214 CG LEU A 74 -8.622 12.862 -0.074 1.00 63.30 C ATOM 1215 CD1 LEU A 74 -9.196 13.218 -1.436 1.00 75.50 C ATOM 1216 CD2 LEU A 74 -7.404 11.963 -0.225 1.00 12.20 C ATOM 0 H LEU A 74 -9.470 12.716 2.339 1.00 52.10 H new ATOM 0 HA LEU A 74 -8.978 15.515 2.184 1.00 32.00 H new ATOM 0 HB2 LEU A 74 -7.973 14.903 -0.007 1.00 20.40 H new ATOM 0 HB3 LEU A 74 -7.383 13.919 1.318 1.00 20.40 H new ATOM 0 HG LEU A 74 -9.383 12.319 0.487 1.00 63.30 H new ATOM 0 HD11 LEU A 74 -9.448 12.305 -1.975 1.00 75.50 H new ATOM 0 HD12 LEU A 74 -10.094 13.822 -1.306 1.00 75.50 H new ATOM 0 HD13 LEU A 74 -8.458 13.783 -2.005 1.00 75.50 H new ATOM 0 HD21 LEU A 74 -7.680 11.067 -0.781 1.00 12.20 H new ATOM 0 HD22 LEU A 74 -6.622 12.498 -0.764 1.00 12.20 H new ATOM 0 HD23 LEU A 74 -7.037 11.679 0.761 1.00 12.20 H new ATOM 1228 N ARG A 75 -11.490 14.306 0.490 1.00 60.40 N ATOM 1229 CA ARG A 75 -12.650 14.669 -0.313 1.00 31.50 C ATOM 1230 C ARG A 75 -13.660 15.451 0.516 1.00 3.11 C ATOM 1231 O ARG A 75 -14.170 16.486 0.082 1.00 52.20 O ATOM 1232 CB ARG A 75 -13.310 13.415 -0.893 1.00 73.20 C ATOM 1233 CG ARG A 75 -12.610 12.880 -2.133 1.00 61.20 C ATOM 1234 CD ARG A 75 -13.340 11.672 -2.703 1.00 44.10 C ATOM 1235 NE ARG A 75 -12.870 11.334 -4.045 1.00 44.50 N ATOM 1236 CZ ARG A 75 -13.260 11.968 -5.148 1.00 21.00 C ATOM 1237 NH1 ARG A 75 -14.120 12.974 -5.074 1.00 64.20 N ATOM 1238 NH2 ARG A 75 -12.780 11.595 -6.328 1.00 15.20 N ATOM 0 H ARG A 75 -11.492 13.341 0.822 1.00 60.40 H new ATOM 0 HA ARG A 75 -12.310 15.303 -1.132 1.00 31.50 H new ATOM 0 HB2 ARG A 75 -13.326 12.637 -0.130 1.00 73.20 H new ATOM 0 HB3 ARG A 75 -14.347 13.641 -1.140 1.00 73.20 H new ATOM 0 HG2 ARG A 75 -12.555 13.664 -2.888 1.00 61.20 H new ATOM 0 HG3 ARG A 75 -11.585 12.604 -1.884 1.00 61.20 H new ATOM 0 HD2 ARG A 75 -13.197 10.817 -2.042 1.00 44.10 H new ATOM 0 HD3 ARG A 75 -14.410 11.876 -2.734 1.00 44.10 H new ATOM 0 HE ARG A 75 -12.204 10.567 -4.142 1.00 44.50 H new ATOM 0 HH11 ARG A 75 -14.487 13.266 -4.168 1.00 64.20 H new ATOM 0 HH12 ARG A 75 -14.415 13.456 -5.923 1.00 64.20 H new ATOM 0 HH21 ARG A 75 -12.114 10.824 -6.387 1.00 15.20 H new ATOM 0 HH22 ARG A 75 -13.077 12.079 -7.175 1.00 15.20 H new ATOM 1252 N SER A 76 -13.950 14.948 1.711 1.00 72.10 N ATOM 1253 CA SER A 76 -14.910 15.601 2.602 1.00 44.10 C ATOM 1254 C SER A 76 -14.450 17.011 2.955 1.00 1.30 C ATOM 1255 O SER A 76 -15.260 17.935 3.041 1.00 12.20 O ATOM 1256 CB SER A 76 -15.090 14.777 3.877 1.00 64.30 C ATOM 1257 OG SER A 76 -16.080 15.349 4.717 1.00 43.30 O ATOM 0 H SER A 76 -13.538 14.094 2.086 1.00 72.10 H new ATOM 0 HA SER A 76 -15.866 15.670 2.082 1.00 44.10 H new ATOM 0 HB2 SER A 76 -15.373 13.757 3.618 1.00 64.30 H new ATOM 0 HB3 SER A 76 -14.143 14.718 4.413 1.00 64.30 H new ATOM 0 HG SER A 76 -16.178 14.804 5.525 1.00 43.30 H new