USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 THR OG1 : rot -127:sc= -0.0237 USER MOD Set 1.3: A 102 THR OG1 : rot 180:sc= 0.00659 USER MOD Set 2.1: A 11 SER OG : rot 43:sc= 0.121 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.52 K(o=-1.4,f=-2.4!) USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0444) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.288 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -3.49! K(o=-3.5!,f=-4.8) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -1.07 (180deg=-1.75!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0372) USER MOD Single : A 60 LYS NZ :NH3+ 148:sc= -0.257 (180deg=-1.03) USER MOD Single : A 65 THR OG1 : rot -156:sc= -0.964 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -90:sc= -1.07 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1! C(o=-1!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 168.799 10.867 7.264 1.00 0.00 N ATOM 40 CA VAL A 8 169.785 10.982 6.193 1.00 0.00 C ATOM 41 C VAL A 8 170.615 9.709 6.056 1.00 0.00 C ATOM 42 O VAL A 8 170.726 8.923 6.993 1.00 0.00 O ATOM 43 CB VAL A 8 170.734 12.171 6.426 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.549 12.453 5.172 1.00 0.00 C ATOM 45 CG2 VAL A 8 169.954 13.407 6.852 1.00 0.00 C ATOM 0 HA VAL A 8 169.223 11.145 5.273 1.00 0.00 H new ATOM 0 HB VAL A 8 171.421 11.911 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.215 13.297 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.139 11.573 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 170.877 12.692 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.644 14.236 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.241 13.674 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.418 13.198 7.778 1.00 0.00 H new ATOM 55 N VAL A 9 171.197 9.517 4.880 1.00 0.00 N ATOM 56 CA VAL A 9 172.018 8.341 4.614 1.00 0.00 C ATOM 57 C VAL A 9 173.321 8.373 5.419 1.00 0.00 C ATOM 58 O VAL A 9 173.957 9.420 5.532 1.00 0.00 O ATOM 59 CB VAL A 9 172.361 8.237 3.117 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.184 9.439 2.675 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.097 6.936 2.827 1.00 0.00 C ATOM 0 H VAL A 9 171.116 10.161 4.093 1.00 0.00 H new ATOM 0 HA VAL A 9 171.434 7.472 4.917 1.00 0.00 H new ATOM 0 HB VAL A 9 171.432 8.234 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.418 9.350 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.614 10.353 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.110 9.477 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.331 6.880 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.021 6.904 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.466 6.091 3.105 1.00 0.00 H new ATOM 71 N PRO A 10 173.741 7.224 5.984 1.00 0.00 N ATOM 72 CA PRO A 10 174.976 7.135 6.770 1.00 0.00 C ATOM 73 C PRO A 10 176.218 7.278 5.896 1.00 0.00 C ATOM 74 O PRO A 10 176.116 7.477 4.685 1.00 0.00 O ATOM 75 CB PRO A 10 174.926 5.732 7.393 1.00 0.00 C ATOM 76 CG PRO A 10 173.544 5.224 7.141 1.00 0.00 C ATOM 77 CD PRO A 10 173.060 5.925 5.906 1.00 0.00 C ATOM 0 HA PRO A 10 175.040 7.933 7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.672 5.077 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.140 5.771 8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.546 4.143 7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 10 172.892 5.433 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.328 5.381 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 10 171.976 6.036 5.902 1.00 0.00 H new ATOM 85 N SER A 11 177.390 7.179 6.515 1.00 0.00 N ATOM 86 CA SER A 11 178.647 7.301 5.788 1.00 0.00 C ATOM 87 C SER A 11 179.301 5.942 5.573 1.00 0.00 C ATOM 88 O SER A 11 179.610 5.229 6.526 1.00 0.00 O ATOM 89 CB SER A 11 179.604 8.231 6.534 1.00 0.00 C ATOM 90 OG SER A 11 180.651 8.674 5.688 1.00 0.00 O ATOM 0 H SER A 11 177.495 7.015 7.516 1.00 0.00 H new ATOM 0 HA SER A 11 178.424 7.726 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.055 9.091 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.024 7.711 7.395 1.00 0.00 H new ATOM 0 HG SER A 11 180.284 8.911 4.811 1.00 0.00 H new ATOM 96 N ALA A 12 179.513 5.591 4.307 1.00 0.00 N ATOM 97 CA ALA A 12 180.131 4.318 3.961 1.00 0.00 C ATOM 98 C ALA A 12 181.651 4.401 4.043 1.00 0.00 C ATOM 99 O ALA A 12 182.296 5.039 3.212 1.00 0.00 O ATOM 100 CB ALA A 12 179.696 3.882 2.569 1.00 0.00 C ATOM 0 H ALA A 12 179.265 6.171 3.506 1.00 0.00 H new ATOM 0 HA ALA A 12 179.798 3.573 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.165 2.929 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.612 3.770 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.999 4.634 1.841 1.00 0.00 H new ATOM 106 N LYS A 13 182.219 3.741 5.049 1.00 0.00 N ATOM 107 CA LYS A 13 183.666 3.730 5.239 1.00 0.00 C ATOM 108 C LYS A 13 184.291 2.559 4.488 1.00 0.00 C ATOM 109 O LYS A 13 183.830 1.424 4.606 1.00 0.00 O ATOM 110 CB LYS A 13 184.008 3.639 6.727 1.00 0.00 C ATOM 111 CG LYS A 13 184.114 4.994 7.410 1.00 0.00 C ATOM 112 CD LYS A 13 185.561 5.366 7.694 1.00 0.00 C ATOM 113 CE LYS A 13 185.712 6.016 9.060 1.00 0.00 C ATOM 114 NZ LYS A 13 184.911 7.267 9.172 1.00 0.00 N ATOM 0 H LYS A 13 181.699 3.207 5.745 1.00 0.00 H new ATOM 0 HA LYS A 13 184.072 4.660 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.245 3.046 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.953 3.108 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 183.659 5.757 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 13 183.552 4.976 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 13 186.184 4.473 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 13 185.920 6.048 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 185.399 5.314 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 13 186.763 6.241 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 185.094 7.715 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 185.180 7.921 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 183.899 7.040 9.093 1.00 0.00 H new ATOM 128 N LEU A 14 185.331 2.838 3.706 1.00 0.00 N ATOM 129 CA LEU A 14 185.997 1.796 2.930 1.00 0.00 C ATOM 130 C LEU A 14 187.480 1.695 3.275 1.00 0.00 C ATOM 131 O LEU A 14 188.097 2.662 3.723 1.00 0.00 O ATOM 132 CB LEU A 14 185.832 2.067 1.433 1.00 0.00 C ATOM 133 CG LEU A 14 184.459 1.715 0.859 1.00 0.00 C ATOM 134 CD1 LEU A 14 183.480 2.860 1.074 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.572 1.378 -0.620 1.00 0.00 C ATOM 0 H LEU A 14 185.729 3.771 3.593 1.00 0.00 H new ATOM 0 HA LEU A 14 185.527 0.846 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.027 3.123 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.591 1.503 0.891 1.00 0.00 H new ATOM 0 HG LEU A 14 184.080 0.838 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 14 182.509 2.591 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 14 183.377 3.055 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 183.852 3.755 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.586 1.130 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.972 2.237 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 185.239 0.526 -0.749 1.00 0.00 H new ATOM 147 N GLU A 15 188.043 0.511 3.051 1.00 0.00 N ATOM 148 CA GLU A 15 189.453 0.256 3.321 1.00 0.00 C ATOM 149 C GLU A 15 190.005 -0.757 2.319 1.00 0.00 C ATOM 150 O GLU A 15 189.293 -1.673 1.905 1.00 0.00 O ATOM 151 CB GLU A 15 189.636 -0.267 4.747 1.00 0.00 C ATOM 152 CG GLU A 15 189.703 0.832 5.795 1.00 0.00 C ATOM 153 CD GLU A 15 188.446 0.912 6.639 1.00 0.00 C ATOM 154 OE1 GLU A 15 187.343 0.735 6.080 1.00 0.00 O ATOM 155 OE2 GLU A 15 188.564 1.154 7.859 1.00 0.00 O ATOM 0 H GLU A 15 187.538 -0.293 2.680 1.00 0.00 H new ATOM 0 HA GLU A 15 190.001 1.192 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.811 -0.937 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.551 -0.858 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.561 0.658 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.866 1.790 5.301 1.00 0.00 H new ATOM 162 N ALA A 16 191.265 -0.593 1.921 1.00 0.00 N ATOM 163 CA ALA A 16 191.870 -1.509 0.957 1.00 0.00 C ATOM 164 C ALA A 16 192.480 -2.723 1.650 1.00 0.00 C ATOM 165 O ALA A 16 193.228 -2.591 2.616 1.00 0.00 O ATOM 166 CB ALA A 16 192.927 -0.789 0.130 1.00 0.00 C ATOM 0 H ALA A 16 191.879 0.154 2.245 1.00 0.00 H new ATOM 0 HA ALA A 16 191.080 -1.862 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.368 -1.486 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.466 0.039 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.705 -0.404 0.789 1.00 0.00 H new ATOM 172 N ILE A 17 192.146 -3.910 1.146 1.00 0.00 N ATOM 173 CA ILE A 17 192.650 -5.155 1.714 1.00 0.00 C ATOM 174 C ILE A 17 193.655 -5.823 0.781 1.00 0.00 C ATOM 175 O ILE A 17 193.423 -5.928 -0.425 1.00 0.00 O ATOM 176 CB ILE A 17 191.505 -6.148 2.005 1.00 0.00 C ATOM 177 CG1 ILE A 17 190.302 -5.418 2.607 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.982 -7.249 2.941 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.579 -4.817 3.969 1.00 0.00 C ATOM 0 H ILE A 17 191.528 -4.034 0.344 1.00 0.00 H new ATOM 0 HA ILE A 17 193.144 -4.893 2.650 1.00 0.00 H new ATOM 0 HB ILE A 17 191.196 -6.603 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.990 -4.626 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.468 -6.115 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 17 191.163 -7.941 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.809 -7.787 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 17 192.316 -6.809 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.683 -4.316 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.862 -5.607 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.392 -4.095 3.890 1.00 0.00 H new ATOM 191 N TYR A 18 194.769 -6.277 1.346 1.00 0.00 N ATOM 192 CA TYR A 18 195.809 -6.940 0.566 1.00 0.00 C ATOM 193 C TYR A 18 195.676 -8.458 0.680 1.00 0.00 C ATOM 194 O TYR A 18 195.316 -8.975 1.737 1.00 0.00 O ATOM 195 CB TYR A 18 197.194 -6.495 1.047 1.00 0.00 C ATOM 196 CG TYR A 18 198.155 -6.177 -0.077 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.845 -5.216 -1.031 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.370 -6.840 -0.185 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.721 -4.924 -2.059 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.252 -6.554 -1.210 1.00 0.00 C ATOM 201 CZ TYR A 18 199.922 -5.596 -2.145 1.00 0.00 C ATOM 202 OH TYR A 18 200.796 -5.308 -3.168 1.00 0.00 O ATOM 0 H TYR A 18 194.975 -6.198 2.342 1.00 0.00 H new ATOM 0 HA TYR A 18 195.691 -6.658 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 18 197.084 -5.614 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.623 -7.281 1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.905 -4.689 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 18 199.631 -7.592 0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.466 -4.173 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 18 201.194 -7.078 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 18 201.595 -5.869 -3.083 1.00 0.00 H new ATOM 212 N PRO A 19 195.965 -9.202 -0.407 1.00 0.00 N ATOM 213 CA PRO A 19 196.398 -8.643 -1.683 1.00 0.00 C ATOM 214 C PRO A 19 195.227 -8.340 -2.613 1.00 0.00 C ATOM 215 O PRO A 19 195.403 -7.742 -3.674 1.00 0.00 O ATOM 216 CB PRO A 19 197.257 -9.766 -2.251 1.00 0.00 C ATOM 217 CG PRO A 19 196.631 -11.024 -1.740 1.00 0.00 C ATOM 218 CD PRO A 19 195.889 -10.670 -0.468 1.00 0.00 C ATOM 0 HA PRO A 19 196.915 -7.690 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.267 -9.744 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.292 -9.677 -1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 19 195.949 -11.442 -2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.391 -11.780 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.856 -11.015 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 19 196.352 -11.130 0.405 1.00 0.00 H new ATOM 226 N ARG A 20 194.030 -8.754 -2.207 1.00 0.00 N ATOM 227 CA ARG A 20 192.837 -8.526 -2.996 1.00 0.00 C ATOM 228 C ARG A 20 191.585 -8.614 -2.129 1.00 0.00 C ATOM 229 O ARG A 20 191.033 -9.695 -1.926 1.00 0.00 O ATOM 230 CB ARG A 20 192.754 -9.530 -4.148 1.00 0.00 C ATOM 231 CG ARG A 20 192.795 -10.980 -3.693 1.00 0.00 C ATOM 232 CD ARG A 20 193.157 -11.912 -4.838 1.00 0.00 C ATOM 233 NE ARG A 20 194.603 -12.021 -5.021 1.00 0.00 N ATOM 234 CZ ARG A 20 195.177 -12.569 -6.089 1.00 0.00 C ATOM 235 NH1 ARG A 20 194.432 -13.061 -7.071 1.00 0.00 N ATOM 236 NH2 ARG A 20 196.498 -12.628 -6.174 1.00 0.00 N ATOM 0 H ARG A 20 193.867 -9.251 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 20 192.896 -7.520 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.832 -9.358 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.580 -9.350 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 20 193.523 -11.090 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 20 191.824 -11.262 -3.285 1.00 0.00 H new ATOM 0 HD2 ARG A 20 192.741 -12.901 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 20 192.702 -11.548 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 20 195.208 -11.655 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 20 193.415 -13.020 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 194.877 -13.480 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 197.075 -12.253 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 196.938 -13.048 -6.993 1.00 0.00 H new ATOM 250 N GLY A 21 191.142 -7.468 -1.622 1.00 0.00 N ATOM 251 CA GLY A 21 189.960 -7.437 -0.784 1.00 0.00 C ATOM 252 C GLY A 21 189.480 -6.026 -0.504 1.00 0.00 C ATOM 253 O GLY A 21 190.206 -5.059 -0.732 1.00 0.00 O ATOM 0 H GLY A 21 191.581 -6.561 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 21 189.161 -7.999 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 21 190.175 -7.938 0.160 1.00 0.00 H new ATOM 257 N LEU A 22 188.253 -5.909 -0.008 1.00 0.00 N ATOM 258 CA LEU A 22 187.676 -4.607 0.304 1.00 0.00 C ATOM 259 C LEU A 22 186.746 -4.703 1.510 1.00 0.00 C ATOM 260 O LEU A 22 185.959 -5.642 1.624 1.00 0.00 O ATOM 261 CB LEU A 22 186.911 -4.061 -0.905 1.00 0.00 C ATOM 262 CG LEU A 22 187.068 -2.559 -1.154 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.350 -1.758 -0.077 1.00 0.00 C ATOM 264 CD2 LEU A 22 188.542 -2.179 -1.214 1.00 0.00 C ATOM 0 H LEU A 22 187.639 -6.700 0.187 1.00 0.00 H new ATOM 0 HA LEU A 22 188.489 -3.923 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.241 -4.597 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.852 -4.282 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 22 186.613 -2.321 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 22 186.474 -0.693 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 22 185.289 -2.007 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.772 -1.999 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 22 188.635 -1.108 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 189.022 -2.433 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 22 189.026 -2.724 -2.024 1.00 0.00 H new ATOM 276 N ARG A 23 186.843 -3.729 2.409 1.00 0.00 N ATOM 277 CA ARG A 23 186.010 -3.704 3.606 1.00 0.00 C ATOM 278 C ARG A 23 185.173 -2.429 3.656 1.00 0.00 C ATOM 279 O ARG A 23 185.713 -1.323 3.635 1.00 0.00 O ATOM 280 CB ARG A 23 186.880 -3.812 4.862 1.00 0.00 C ATOM 281 CG ARG A 23 186.480 -4.953 5.784 1.00 0.00 C ATOM 282 CD ARG A 23 187.479 -5.134 6.916 1.00 0.00 C ATOM 283 NE ARG A 23 188.377 -6.263 6.680 1.00 0.00 N ATOM 284 CZ ARG A 23 189.083 -6.861 7.636 1.00 0.00 C ATOM 285 NH1 ARG A 23 189.002 -6.443 8.893 1.00 0.00 N ATOM 286 NH2 ARG A 23 189.874 -7.881 7.335 1.00 0.00 N ATOM 0 H ARG A 23 187.491 -2.945 2.331 1.00 0.00 H new ATOM 0 HA ARG A 23 185.335 -4.559 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.920 -3.945 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 23 186.825 -2.874 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 23 185.491 -4.757 6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.408 -5.877 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 23 188.065 -4.222 7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 23 186.942 -5.288 7.852 1.00 0.00 H new ATOM 0 HE ARG A 23 188.468 -6.613 5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 23 188.395 -5.658 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 23 189.546 -6.906 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 23 189.941 -8.207 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 23 190.416 -8.340 8.067 1.00 0.00 H new ATOM 300 N VAL A 24 183.854 -2.588 3.714 1.00 0.00 N ATOM 301 CA VAL A 24 182.950 -1.446 3.759 1.00 0.00 C ATOM 302 C VAL A 24 182.078 -1.468 5.012 1.00 0.00 C ATOM 303 O VAL A 24 181.780 -2.532 5.556 1.00 0.00 O ATOM 304 CB VAL A 24 182.041 -1.408 2.517 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.207 -0.135 2.498 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.870 -1.526 1.245 1.00 0.00 C ATOM 0 H VAL A 24 183.389 -3.496 3.731 1.00 0.00 H new ATOM 0 HA VAL A 24 183.575 -0.553 3.778 1.00 0.00 H new ATOM 0 HB VAL A 24 181.361 -2.259 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.572 -0.129 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.584 -0.095 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 24 181.867 0.732 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.211 -1.497 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.576 -0.697 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.418 -2.468 1.254 1.00 0.00 H new ATOM 316 N SER A 25 181.669 -0.285 5.462 1.00 0.00 N ATOM 317 CA SER A 25 180.826 -0.159 6.647 1.00 0.00 C ATOM 318 C SER A 25 180.018 1.135 6.603 1.00 0.00 C ATOM 319 O SER A 25 180.494 2.154 6.110 1.00 0.00 O ATOM 320 CB SER A 25 181.679 -0.198 7.917 1.00 0.00 C ATOM 321 OG SER A 25 182.935 -0.803 7.670 1.00 0.00 O ATOM 0 H SER A 25 181.909 0.603 5.022 1.00 0.00 H new ATOM 0 HA SER A 25 180.134 -1.001 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.827 0.815 8.290 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.153 -0.751 8.695 1.00 0.00 H new ATOM 0 HG SER A 25 183.461 -0.814 8.497 1.00 0.00 H new ATOM 327 N ILE A 26 178.794 1.084 7.117 1.00 0.00 N ATOM 328 CA ILE A 26 177.917 2.255 7.131 1.00 0.00 C ATOM 329 C ILE A 26 177.130 2.345 8.440 1.00 0.00 C ATOM 330 O ILE A 26 176.471 1.385 8.839 1.00 0.00 O ATOM 331 CB ILE A 26 176.912 2.208 5.967 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.202 0.853 5.942 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.611 2.474 4.642 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.694 0.963 5.979 1.00 0.00 C ATOM 0 H ILE A 26 178.384 0.246 7.530 1.00 0.00 H new ATOM 0 HA ILE A 26 178.560 3.129 7.030 1.00 0.00 H new ATOM 0 HB ILE A 26 176.167 2.989 6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.497 0.313 5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.536 0.260 6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.882 2.436 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.075 3.460 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.377 1.717 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.256 -0.035 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.389 1.475 6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.349 1.528 5.113 1.00 0.00 H new ATOM 346 N PRO A 27 177.178 3.505 9.123 1.00 0.00 N ATOM 347 CA PRO A 27 176.453 3.707 10.382 1.00 0.00 C ATOM 348 C PRO A 27 174.966 3.392 10.249 1.00 0.00 C ATOM 349 O PRO A 27 174.214 4.153 9.640 1.00 0.00 O ATOM 350 CB PRO A 27 176.654 5.194 10.682 1.00 0.00 C ATOM 351 CG PRO A 27 177.894 5.569 9.948 1.00 0.00 C ATOM 352 CD PRO A 27 177.931 4.704 8.720 1.00 0.00 C ATOM 0 HA PRO A 27 176.819 3.048 11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 27 175.802 5.784 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 27 176.760 5.370 11.752 1.00 0.00 H new ATOM 0 HG2 PRO A 27 177.883 6.625 9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.777 5.406 10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.470 5.200 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 27 178.953 4.458 8.432 1.00 0.00 H new ATOM 360 N ASP A 28 174.551 2.268 10.818 1.00 0.00 N ATOM 361 CA ASP A 28 173.153 1.853 10.760 1.00 0.00 C ATOM 362 C ASP A 28 172.296 2.660 11.726 1.00 0.00 C ATOM 363 O ASP A 28 172.735 3.012 12.821 1.00 0.00 O ATOM 364 CB ASP A 28 173.027 0.363 11.086 1.00 0.00 C ATOM 365 CG ASP A 28 171.596 -0.131 11.000 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.799 0.482 10.260 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.271 -1.131 11.674 1.00 0.00 O ATOM 0 H ASP A 28 175.161 1.627 11.325 1.00 0.00 H new ATOM 0 HA ASP A 28 172.796 2.035 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.648 -0.210 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.411 0.180 12.089 1.00 0.00 H new ATOM 372 N ASP A 29 171.064 2.931 11.316 1.00 0.00 N ATOM 373 CA ASP A 29 170.125 3.678 12.142 1.00 0.00 C ATOM 374 C ASP A 29 168.779 2.968 12.170 1.00 0.00 C ATOM 375 O ASP A 29 167.727 3.592 12.027 1.00 0.00 O ATOM 376 CB ASP A 29 169.961 5.105 11.619 1.00 0.00 C ATOM 377 CG ASP A 29 171.288 5.827 11.475 1.00 0.00 C ATOM 378 OD1 ASP A 29 172.116 5.389 10.649 1.00 0.00 O ATOM 379 OD2 ASP A 29 171.499 6.830 12.190 1.00 0.00 O ATOM 0 H ASP A 29 170.690 2.643 10.412 1.00 0.00 H new ATOM 0 HA ASP A 29 170.520 3.730 13.156 1.00 0.00 H new ATOM 0 HB2 ASP A 29 169.459 5.079 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.318 5.666 12.297 1.00 0.00 H new ATOM 384 N GLY A 30 168.829 1.653 12.354 1.00 0.00 N ATOM 385 CA GLY A 30 167.626 0.860 12.401 1.00 0.00 C ATOM 386 C GLY A 30 166.982 0.686 11.040 1.00 0.00 C ATOM 387 O GLY A 30 165.757 0.710 10.919 1.00 0.00 O ATOM 0 H GLY A 30 169.693 1.123 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.859 -0.121 12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.913 1.330 13.078 1.00 0.00 H new ATOM 391 N PHE A 31 167.807 0.505 10.012 1.00 0.00 N ATOM 392 CA PHE A 31 167.299 0.320 8.658 1.00 0.00 C ATOM 393 C PHE A 31 166.878 -1.123 8.425 1.00 0.00 C ATOM 394 O PHE A 31 166.830 -1.933 9.350 1.00 0.00 O ATOM 395 CB PHE A 31 168.350 0.707 7.613 1.00 0.00 C ATOM 396 CG PHE A 31 169.002 2.035 7.871 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.235 3.156 8.136 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.382 2.160 7.848 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.832 4.380 8.373 1.00 0.00 C ATOM 400 CE2 PHE A 31 170.984 3.381 8.084 1.00 0.00 C ATOM 401 CZ PHE A 31 170.208 4.492 8.345 1.00 0.00 C ATOM 0 H PHE A 31 168.824 0.483 10.091 1.00 0.00 H new ATOM 0 HA PHE A 31 166.432 0.971 8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.119 -0.065 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.880 0.728 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.158 3.074 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 31 170.993 1.294 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.223 5.248 8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.060 3.466 8.064 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.676 5.448 8.527 1.00 0.00 H new ATOM 411 N SER A 32 166.582 -1.427 7.172 1.00 0.00 N ATOM 412 CA SER A 32 166.171 -2.760 6.777 1.00 0.00 C ATOM 413 C SER A 32 166.969 -3.226 5.568 1.00 0.00 C ATOM 414 O SER A 32 167.200 -4.423 5.401 1.00 0.00 O ATOM 415 CB SER A 32 164.674 -2.788 6.462 1.00 0.00 C ATOM 416 OG SER A 32 164.118 -4.061 6.744 1.00 0.00 O ATOM 0 H SER A 32 166.620 -0.757 6.404 1.00 0.00 H new ATOM 0 HA SER A 32 166.366 -3.439 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.161 -2.026 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.515 -2.543 5.412 1.00 0.00 H new ATOM 0 HG SER A 32 163.160 -4.053 6.536 1.00 0.00 H new ATOM 422 N LEU A 33 167.402 -2.285 4.726 1.00 0.00 N ATOM 423 CA LEU A 33 168.186 -2.666 3.549 1.00 0.00 C ATOM 424 C LEU A 33 169.321 -1.696 3.271 1.00 0.00 C ATOM 425 O LEU A 33 169.139 -0.484 3.307 1.00 0.00 O ATOM 426 CB LEU A 33 167.316 -2.760 2.297 1.00 0.00 C ATOM 427 CG LEU A 33 167.902 -3.642 1.194 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.828 -5.111 1.578 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.193 -3.396 -0.128 1.00 0.00 C ATOM 0 H LEU A 33 167.231 -1.285 4.830 1.00 0.00 H new ATOM 0 HA LEU A 33 168.604 -3.645 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.337 -3.149 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.159 -1.757 1.900 1.00 0.00 H new ATOM 0 HG LEU A 33 168.952 -3.376 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.251 -5.718 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.393 -5.276 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.787 -5.394 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.627 -4.034 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.133 -3.626 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.310 -2.351 -0.415 1.00 0.00 H new ATOM 441 N PHE A 34 170.486 -2.256 2.965 1.00 0.00 N ATOM 442 CA PHE A 34 171.663 -1.470 2.643 1.00 0.00 C ATOM 443 C PHE A 34 172.205 -1.862 1.268 1.00 0.00 C ATOM 444 O PHE A 34 172.838 -2.907 1.117 1.00 0.00 O ATOM 445 CB PHE A 34 172.737 -1.686 3.703 1.00 0.00 C ATOM 446 CG PHE A 34 174.067 -1.082 3.343 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.145 0.223 2.882 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.231 -1.823 3.451 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.364 0.777 2.536 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.453 -1.274 3.108 1.00 0.00 C ATOM 451 CZ PHE A 34 176.519 0.027 2.649 1.00 0.00 C ATOM 0 H PHE A 34 170.637 -3.264 2.934 1.00 0.00 H new ATOM 0 HA PHE A 34 171.385 -0.416 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.396 -1.259 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.865 -2.756 3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.245 0.813 2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.184 -2.842 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.413 1.795 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.355 -1.862 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.472 0.457 2.379 1.00 0.00 H new ATOM 461 N ALA A 35 171.961 -1.019 0.268 1.00 0.00 N ATOM 462 CA ALA A 35 172.432 -1.283 -1.086 1.00 0.00 C ATOM 463 C ALA A 35 173.706 -0.501 -1.376 1.00 0.00 C ATOM 464 O ALA A 35 173.756 0.714 -1.189 1.00 0.00 O ATOM 465 CB ALA A 35 171.349 -0.943 -2.100 1.00 0.00 C ATOM 0 H ALA A 35 171.440 -0.148 0.371 1.00 0.00 H new ATOM 0 HA ALA A 35 172.661 -2.345 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.716 -1.146 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.466 -1.552 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.089 0.112 -2.014 1.00 0.00 H new ATOM 471 N PHE A 36 174.741 -1.207 -1.819 1.00 0.00 N ATOM 472 CA PHE A 36 176.024 -0.580 -2.118 1.00 0.00 C ATOM 473 C PHE A 36 176.340 -0.640 -3.611 1.00 0.00 C ATOM 474 O PHE A 36 176.360 -1.716 -4.203 1.00 0.00 O ATOM 475 CB PHE A 36 177.129 -1.276 -1.320 1.00 0.00 C ATOM 476 CG PHE A 36 178.489 -0.669 -1.502 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.742 0.632 -1.099 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.517 -1.402 -2.069 1.00 0.00 C ATOM 479 CE1 PHE A 36 179.996 1.190 -1.260 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.774 -0.849 -2.234 1.00 0.00 C ATOM 481 CZ PHE A 36 181.014 0.449 -1.829 1.00 0.00 C ATOM 0 H PHE A 36 174.717 -2.214 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 36 175.968 0.470 -1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.870 -1.250 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.169 -2.325 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 36 177.950 1.217 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 36 179.335 -2.418 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 36 180.180 2.205 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.567 -1.432 -2.679 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.994 0.884 -1.957 1.00 0.00 H new ATOM 491 N HIS A 37 176.585 0.526 -4.210 1.00 0.00 N ATOM 492 CA HIS A 37 176.907 0.629 -5.618 1.00 0.00 C ATOM 493 C HIS A 37 178.203 1.418 -5.773 1.00 0.00 C ATOM 494 O HIS A 37 178.241 2.592 -5.416 1.00 0.00 O ATOM 495 CB HIS A 37 175.779 1.369 -6.322 1.00 0.00 C ATOM 496 CG HIS A 37 174.933 0.502 -7.206 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.143 0.997 -8.225 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.738 -0.837 -7.204 1.00 0.00 C ATOM 499 CE1 HIS A 37 173.502 0.001 -8.808 1.00 0.00 C ATOM 500 NE2 HIS A 37 173.845 -1.122 -8.209 1.00 0.00 N ATOM 0 H HIS A 37 176.564 1.423 -3.724 1.00 0.00 H new ATOM 0 HA HIS A 37 177.028 -0.363 -6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.141 1.835 -5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.206 2.173 -6.921 1.00 0.00 H new ATOM 0 HD2 HIS A 37 175.199 -1.550 -6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 37 172.814 0.091 -9.635 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.503 -2.052 -8.452 1.00 0.00 H new ATOM 509 N GLY A 38 179.273 0.798 -6.278 1.00 0.00 N ATOM 510 CA GLY A 38 180.513 1.542 -6.400 1.00 0.00 C ATOM 511 C GLY A 38 181.412 1.084 -7.523 1.00 0.00 C ATOM 512 O GLY A 38 181.582 -0.112 -7.748 1.00 0.00 O ATOM 0 H GLY A 38 179.303 -0.171 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.276 2.596 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.060 1.467 -5.460 1.00 0.00 H new ATOM 516 N LYS A 39 182.008 2.052 -8.214 1.00 0.00 N ATOM 517 CA LYS A 39 182.918 1.771 -9.307 1.00 0.00 C ATOM 518 C LYS A 39 184.275 2.401 -9.028 1.00 0.00 C ATOM 519 O LYS A 39 184.370 3.596 -8.741 1.00 0.00 O ATOM 520 CB LYS A 39 182.351 2.305 -10.624 1.00 0.00 C ATOM 521 CG LYS A 39 182.757 1.487 -11.839 1.00 0.00 C ATOM 522 CD LYS A 39 182.602 2.284 -13.124 1.00 0.00 C ATOM 523 CE LYS A 39 181.309 1.935 -13.844 1.00 0.00 C ATOM 524 NZ LYS A 39 180.217 2.897 -13.525 1.00 0.00 N ATOM 0 H LYS A 39 181.871 3.046 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 39 183.038 0.691 -9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.263 2.327 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.683 3.334 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.793 1.165 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 39 182.146 0.586 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 39 182.616 3.350 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 39 183.450 2.087 -13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 39 181.483 1.928 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 39 180.999 0.928 -13.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 179.304 2.399 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 180.382 3.311 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 180.201 3.654 -14.238 1.00 0.00 H new ATOM 538 N LEU A 40 185.323 1.593 -9.102 1.00 0.00 N ATOM 539 CA LEU A 40 186.671 2.082 -8.848 1.00 0.00 C ATOM 540 C LEU A 40 187.331 2.540 -10.144 1.00 0.00 C ATOM 541 O LEU A 40 187.157 1.922 -11.195 1.00 0.00 O ATOM 542 CB LEU A 40 187.517 1.000 -8.171 1.00 0.00 C ATOM 543 CG LEU A 40 187.916 -0.176 -9.065 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.360 -0.572 -8.803 1.00 0.00 C ATOM 545 CD2 LEU A 40 186.986 -1.359 -8.836 1.00 0.00 C ATOM 0 H LEU A 40 185.267 0.601 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 40 186.602 2.938 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 40 188.424 1.462 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 186.964 0.613 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 40 187.826 0.133 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.630 -1.410 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 190.014 0.274 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 189.473 -0.865 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 40 187.284 -2.186 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 187.045 -1.671 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 185.962 -1.068 -9.071 1.00 0.00 H new ATOM 557 N ASN A 41 188.084 3.631 -10.063 1.00 0.00 N ATOM 558 CA ASN A 41 188.765 4.175 -11.231 1.00 0.00 C ATOM 559 C ASN A 41 187.756 4.637 -12.278 1.00 0.00 C ATOM 560 O ASN A 41 187.956 4.439 -13.477 1.00 0.00 O ATOM 561 CB ASN A 41 189.706 3.130 -11.836 1.00 0.00 C ATOM 562 CG ASN A 41 191.008 3.737 -12.322 1.00 0.00 C ATOM 563 OD1 ASN A 41 191.862 4.124 -11.526 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.165 3.823 -13.639 1.00 0.00 N ATOM 0 H ASN A 41 188.238 4.155 -9.202 1.00 0.00 H new ATOM 0 HA ASN A 41 189.352 5.036 -10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.921 2.364 -11.091 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.207 2.634 -12.668 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.020 4.223 -14.026 1.00 0.00 H new ATOM 0 HD22 ASN A 41 190.430 3.489 -14.263 1.00 0.00 H new ATOM 571 N GLU A 42 186.677 5.264 -11.817 1.00 0.00 N ATOM 572 CA GLU A 42 185.645 5.764 -12.705 1.00 0.00 C ATOM 573 C GLU A 42 184.579 6.497 -11.910 1.00 0.00 C ATOM 574 O GLU A 42 183.812 5.892 -11.160 1.00 0.00 O ATOM 575 CB GLU A 42 185.009 4.631 -13.508 1.00 0.00 C ATOM 576 CG GLU A 42 184.025 5.133 -14.550 1.00 0.00 C ATOM 577 CD GLU A 42 183.454 4.016 -15.402 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.180 3.033 -15.658 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.279 4.125 -15.814 1.00 0.00 O ATOM 0 H GLU A 42 186.499 5.436 -10.827 1.00 0.00 H new ATOM 0 HA GLU A 42 186.112 6.457 -13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.793 4.056 -14.001 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.496 3.952 -12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 42 183.210 5.657 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.523 5.858 -15.194 1.00 0.00 H new ATOM 586 N GLU A 43 184.555 7.808 -12.075 1.00 0.00 N ATOM 587 CA GLU A 43 183.605 8.666 -11.377 1.00 0.00 C ATOM 588 C GLU A 43 182.172 8.168 -11.523 1.00 0.00 C ATOM 589 O GLU A 43 181.920 7.088 -12.054 1.00 0.00 O ATOM 590 CB GLU A 43 183.704 10.100 -11.895 1.00 0.00 C ATOM 591 CG GLU A 43 185.096 10.679 -11.780 1.00 0.00 C ATOM 592 CD GLU A 43 185.184 12.106 -12.285 1.00 0.00 C ATOM 593 OE1 GLU A 43 184.507 12.982 -11.708 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.929 12.347 -13.257 1.00 0.00 O ATOM 0 H GLU A 43 185.191 8.310 -12.695 1.00 0.00 H new ATOM 0 HA GLU A 43 183.864 8.639 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 43 183.392 10.125 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 43 183.009 10.729 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 43 185.412 10.648 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.791 10.056 -12.343 1.00 0.00 H new ATOM 656 N GLU A 48 174.459 4.071 -11.629 1.00 0.00 N ATOM 657 CA GLU A 48 174.918 2.933 -12.416 1.00 0.00 C ATOM 658 C GLU A 48 175.436 1.820 -11.513 1.00 0.00 C ATOM 659 O GLU A 48 175.873 2.069 -10.391 1.00 0.00 O ATOM 660 CB GLU A 48 176.014 3.369 -13.390 1.00 0.00 C ATOM 661 CG GLU A 48 175.483 4.005 -14.664 1.00 0.00 C ATOM 662 CD GLU A 48 176.169 3.482 -15.909 1.00 0.00 C ATOM 663 OE1 GLU A 48 177.281 2.925 -15.784 1.00 0.00 O ATOM 664 OE2 GLU A 48 175.598 3.627 -17.010 1.00 0.00 O ATOM 0 HA GLU A 48 174.070 2.549 -12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.673 4.078 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.620 2.502 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.412 3.818 -14.739 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.615 5.086 -14.608 1.00 0.00 H new ATOM 671 N ALA A 49 175.377 0.589 -12.012 1.00 0.00 N ATOM 672 CA ALA A 49 175.831 -0.567 -11.257 1.00 0.00 C ATOM 673 C ALA A 49 177.280 -0.416 -10.801 1.00 0.00 C ATOM 674 O ALA A 49 177.704 -1.056 -9.841 1.00 0.00 O ATOM 675 CB ALA A 49 175.669 -1.831 -12.086 1.00 0.00 C ATOM 0 H ALA A 49 175.017 0.369 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 49 175.212 -0.640 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.012 -2.690 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.619 -1.964 -12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.260 -1.746 -12.998 1.00 0.00 H new ATOM 681 N GLY A 50 178.039 0.427 -11.498 1.00 0.00 N ATOM 682 CA GLY A 50 179.433 0.630 -11.144 1.00 0.00 C ATOM 683 C GLY A 50 180.186 -0.680 -11.024 1.00 0.00 C ATOM 684 O GLY A 50 180.439 -1.351 -12.025 1.00 0.00 O ATOM 0 H GLY A 50 177.715 0.971 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.911 1.255 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.492 1.170 -10.199 1.00 0.00 H new ATOM 688 N HIS A 51 180.534 -1.053 -9.797 1.00 0.00 N ATOM 689 CA HIS A 51 181.249 -2.299 -9.554 1.00 0.00 C ATOM 690 C HIS A 51 180.630 -3.064 -8.393 1.00 0.00 C ATOM 691 O HIS A 51 179.959 -4.077 -8.595 1.00 0.00 O ATOM 692 CB HIS A 51 182.734 -2.035 -9.294 1.00 0.00 C ATOM 693 CG HIS A 51 183.620 -3.179 -9.679 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.639 -4.381 -9.002 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.524 -3.300 -10.680 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.516 -5.190 -9.568 1.00 0.00 C ATOM 697 NE2 HIS A 51 185.067 -4.559 -10.588 1.00 0.00 N ATOM 0 H HIS A 51 180.333 -0.511 -8.957 1.00 0.00 H new ATOM 0 HA HIS A 51 181.164 -2.913 -10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 51 183.039 -1.147 -9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.876 -1.816 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.772 -2.547 -11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 51 184.744 -6.197 -9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.780 -4.944 -11.208 1.00 0.00 H new ATOM 706 N TRP A 52 180.846 -2.577 -7.178 1.00 0.00 N ATOM 707 CA TRP A 52 180.291 -3.224 -5.999 1.00 0.00 C ATOM 708 C TRP A 52 178.788 -2.998 -5.941 1.00 0.00 C ATOM 709 O TRP A 52 178.327 -1.989 -5.416 1.00 0.00 O ATOM 710 CB TRP A 52 180.957 -2.687 -4.736 1.00 0.00 C ATOM 711 CG TRP A 52 182.376 -3.134 -4.587 1.00 0.00 C ATOM 712 CD1 TRP A 52 182.813 -4.295 -4.022 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.545 -2.430 -5.019 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.183 -4.357 -4.074 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.657 -3.223 -4.681 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.758 -1.205 -5.657 1.00 0.00 C ATOM 717 CZ2 TRP A 52 185.964 -2.831 -4.961 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.054 -0.818 -5.934 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.143 -1.627 -5.588 1.00 0.00 C ATOM 0 H TRP A 52 181.398 -1.741 -6.985 1.00 0.00 H new ATOM 0 HA TRP A 52 180.484 -4.295 -6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.925 -1.598 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.387 -3.011 -3.866 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.175 -5.055 -3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 52 184.756 -5.123 -3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.925 -0.573 -5.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.805 -3.454 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.231 0.127 -6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.144 -1.295 -5.820 1.00 0.00 H new ATOM 730 N ALA A 53 178.036 -3.943 -6.502 1.00 0.00 N ATOM 731 CA ALA A 53 176.580 -3.856 -6.529 1.00 0.00 C ATOM 732 C ALA A 53 175.945 -5.019 -5.778 1.00 0.00 C ATOM 733 O ALA A 53 175.704 -6.079 -6.357 1.00 0.00 O ATOM 734 CB ALA A 53 176.080 -3.815 -7.965 1.00 0.00 C ATOM 0 H ALA A 53 178.414 -4.780 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 53 176.287 -2.933 -6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.992 -3.750 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.498 -2.945 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.392 -4.721 -8.485 1.00 0.00 H new ATOM 740 N ARG A 54 175.686 -4.830 -4.492 1.00 0.00 N ATOM 741 CA ARG A 54 175.096 -5.883 -3.684 1.00 0.00 C ATOM 742 C ARG A 54 174.220 -5.321 -2.564 1.00 0.00 C ATOM 743 O ARG A 54 174.620 -4.402 -1.850 1.00 0.00 O ATOM 744 CB ARG A 54 176.213 -6.742 -3.103 1.00 0.00 C ATOM 745 CG ARG A 54 175.726 -8.028 -2.457 1.00 0.00 C ATOM 746 CD ARG A 54 175.392 -9.082 -3.502 1.00 0.00 C ATOM 747 NE ARG A 54 174.779 -10.268 -2.909 1.00 0.00 N ATOM 748 CZ ARG A 54 174.361 -11.318 -3.613 1.00 0.00 C ATOM 749 NH1 ARG A 54 174.487 -11.332 -4.935 1.00 0.00 N ATOM 750 NH2 ARG A 54 173.816 -12.356 -2.995 1.00 0.00 N ATOM 0 H ARG A 54 175.874 -3.962 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 54 174.450 -6.487 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 54 176.918 -6.990 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.759 -6.158 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 54 176.492 -8.411 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 54 174.844 -7.821 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 54 174.715 -8.656 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.301 -9.370 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 54 174.664 -10.293 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 54 174.906 -10.536 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 54 174.165 -12.139 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 54 173.717 -12.351 -1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 54 173.496 -13.160 -3.535 1.00 0.00 H new ATOM 764 N ASP A 55 173.024 -5.891 -2.420 1.00 0.00 N ATOM 765 CA ASP A 55 172.082 -5.470 -1.391 1.00 0.00 C ATOM 766 C ASP A 55 172.283 -6.278 -0.112 1.00 0.00 C ATOM 767 O ASP A 55 172.579 -7.471 -0.163 1.00 0.00 O ATOM 768 CB ASP A 55 170.648 -5.644 -1.895 1.00 0.00 C ATOM 769 CG ASP A 55 170.419 -6.988 -2.556 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.745 -8.021 -1.933 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.912 -7.010 -3.699 1.00 0.00 O ATOM 0 H ASP A 55 172.685 -6.651 -3.010 1.00 0.00 H new ATOM 0 HA ASP A 55 172.262 -4.418 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.958 -5.533 -1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.418 -4.850 -2.606 1.00 0.00 H new ATOM 776 N ILE A 56 172.121 -5.622 1.034 1.00 0.00 N ATOM 777 CA ILE A 56 172.287 -6.288 2.322 1.00 0.00 C ATOM 778 C ILE A 56 171.064 -6.082 3.210 1.00 0.00 C ATOM 779 O ILE A 56 170.458 -5.011 3.209 1.00 0.00 O ATOM 780 CB ILE A 56 173.538 -5.781 3.067 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.720 -5.648 2.102 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.890 -6.719 4.212 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.962 -5.070 2.746 1.00 0.00 C ATOM 0 H ILE A 56 171.876 -4.634 1.097 1.00 0.00 H new ATOM 0 HA ILE A 56 172.407 -7.351 2.111 1.00 0.00 H new ATOM 0 HB ILE A 56 173.318 -4.797 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 56 174.956 -6.630 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.426 -5.015 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.775 -6.347 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.056 -6.768 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.091 -7.715 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.759 -5.004 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.742 -4.075 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.281 -5.714 3.565 1.00 0.00 H new ATOM 795 N THR A 57 170.705 -7.115 3.967 1.00 0.00 N ATOM 796 CA THR A 57 169.554 -7.046 4.860 1.00 0.00 C ATOM 797 C THR A 57 169.890 -7.614 6.235 1.00 0.00 C ATOM 798 O THR A 57 169.026 -8.162 6.919 1.00 0.00 O ATOM 799 CB THR A 57 168.371 -7.807 4.258 1.00 0.00 C ATOM 800 OG1 THR A 57 168.276 -7.567 2.865 1.00 0.00 O ATOM 801 CG2 THR A 57 167.043 -7.434 4.879 1.00 0.00 C ATOM 0 H THR A 57 171.195 -8.010 3.979 1.00 0.00 H new ATOM 0 HA THR A 57 169.284 -5.997 4.979 1.00 0.00 H new ATOM 0 HB THR A 57 168.569 -8.859 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 57 167.515 -8.063 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 57 166.246 -8.009 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.066 -7.654 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 57 166.858 -6.370 4.731 1.00 0.00 H new ATOM 809 N LYS A 58 171.151 -7.480 6.633 1.00 0.00 N ATOM 810 CA LYS A 58 171.601 -7.979 7.927 1.00 0.00 C ATOM 811 C LYS A 58 172.779 -7.156 8.446 1.00 0.00 C ATOM 812 O LYS A 58 173.937 -7.479 8.180 1.00 0.00 O ATOM 813 CB LYS A 58 172.002 -9.451 7.819 1.00 0.00 C ATOM 814 CG LYS A 58 172.914 -9.747 6.640 1.00 0.00 C ATOM 815 CD LYS A 58 172.726 -11.169 6.132 1.00 0.00 C ATOM 816 CE LYS A 58 171.312 -11.396 5.619 1.00 0.00 C ATOM 817 NZ LYS A 58 170.577 -12.392 6.446 1.00 0.00 N ATOM 0 H LYS A 58 171.879 -7.030 6.078 1.00 0.00 H new ATOM 0 HA LYS A 58 170.775 -7.886 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 58 172.503 -9.751 8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 58 171.101 -10.059 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 58 172.709 -9.042 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 58 173.953 -9.600 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 58 173.440 -11.368 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.940 -11.874 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 58 170.769 -10.451 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 171.351 -11.740 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 169.567 -12.372 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 170.959 -13.342 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 170.691 -12.159 7.453 1.00 0.00 H new ATOM 831 N PRO A 59 172.498 -6.075 9.195 1.00 0.00 N ATOM 832 CA PRO A 59 173.540 -5.205 9.747 1.00 0.00 C ATOM 833 C PRO A 59 174.602 -5.980 10.516 1.00 0.00 C ATOM 834 O PRO A 59 174.455 -7.175 10.772 1.00 0.00 O ATOM 835 CB PRO A 59 172.773 -4.287 10.700 1.00 0.00 C ATOM 836 CG PRO A 59 171.384 -4.260 10.164 1.00 0.00 C ATOM 837 CD PRO A 59 171.144 -5.614 9.557 1.00 0.00 C ATOM 0 HA PRO A 59 174.080 -4.679 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.796 -4.668 11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.208 -3.288 10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.664 -4.055 10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.269 -3.473 9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.665 -6.291 10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.494 -5.553 8.684 1.00 0.00 H new ATOM 845 N LYS A 60 175.661 -5.279 10.898 1.00 0.00 N ATOM 846 CA LYS A 60 176.749 -5.883 11.658 1.00 0.00 C ATOM 847 C LYS A 60 176.751 -5.342 13.084 1.00 0.00 C ATOM 848 O LYS A 60 177.804 -5.154 13.693 1.00 0.00 O ATOM 849 CB LYS A 60 178.097 -5.611 10.984 1.00 0.00 C ATOM 850 CG LYS A 60 178.864 -6.874 10.623 1.00 0.00 C ATOM 851 CD LYS A 60 179.320 -7.626 11.865 1.00 0.00 C ATOM 852 CE LYS A 60 178.517 -8.900 12.075 1.00 0.00 C ATOM 853 NZ LYS A 60 178.576 -9.798 10.887 1.00 0.00 N ATOM 0 H LYS A 60 175.791 -4.288 10.694 1.00 0.00 H new ATOM 0 HA LYS A 60 176.595 -6.962 11.688 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.930 -5.027 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.709 -5.002 11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.233 -7.523 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 60 179.731 -6.613 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 60 180.378 -7.873 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.217 -6.982 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 60 178.898 -9.429 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 60 177.479 -8.644 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 178.524 -10.789 11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 177.776 -9.591 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 179.469 -9.642 10.378 1.00 0.00 H new ATOM 867 N GLU A 61 175.549 -5.090 13.598 1.00 0.00 N ATOM 868 CA GLU A 61 175.362 -4.564 14.949 1.00 0.00 C ATOM 869 C GLU A 61 175.548 -3.058 14.983 1.00 0.00 C ATOM 870 O GLU A 61 176.647 -2.556 15.215 1.00 0.00 O ATOM 871 CB GLU A 61 176.305 -5.243 15.947 1.00 0.00 C ATOM 872 CG GLU A 61 175.615 -5.700 17.221 1.00 0.00 C ATOM 873 CD GLU A 61 176.292 -5.176 18.473 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.535 -5.246 18.549 1.00 0.00 O ATOM 875 OE2 GLU A 61 175.576 -4.693 19.377 1.00 0.00 O ATOM 0 H GLU A 61 174.678 -5.244 13.090 1.00 0.00 H new ATOM 0 HA GLU A 61 174.337 -4.788 15.245 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.770 -6.104 15.467 1.00 0.00 H new ATOM 0 HB3 GLU A 61 177.106 -4.551 16.206 1.00 0.00 H new ATOM 0 HG2 GLU A 61 174.577 -5.366 17.207 1.00 0.00 H new ATOM 0 HG3 GLU A 61 175.599 -6.789 17.250 1.00 0.00 H new ATOM 882 N GLY A 62 174.455 -2.344 14.731 1.00 0.00 N ATOM 883 CA GLY A 62 174.500 -0.900 14.719 1.00 0.00 C ATOM 884 C GLY A 62 175.227 -0.370 13.502 1.00 0.00 C ATOM 885 O GLY A 62 175.263 0.839 13.271 1.00 0.00 O ATOM 0 H GLY A 62 173.538 -2.745 14.535 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.484 -0.505 14.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.996 -0.544 15.622 1.00 0.00 H new ATOM 889 N ARG A 63 175.805 -1.276 12.714 1.00 0.00 N ATOM 890 CA ARG A 63 176.531 -0.879 11.511 1.00 0.00 C ATOM 891 C ARG A 63 176.618 -2.028 10.512 1.00 0.00 C ATOM 892 O ARG A 63 177.013 -3.135 10.874 1.00 0.00 O ATOM 893 CB ARG A 63 177.940 -0.403 11.874 1.00 0.00 C ATOM 894 CG ARG A 63 178.067 1.108 11.987 1.00 0.00 C ATOM 895 CD ARG A 63 179.153 1.502 12.977 1.00 0.00 C ATOM 896 NE ARG A 63 179.489 2.920 12.886 1.00 0.00 N ATOM 897 CZ ARG A 63 180.290 3.435 11.957 1.00 0.00 C ATOM 898 NH1 ARG A 63 180.835 2.652 11.032 1.00 0.00 N ATOM 899 NH2 ARG A 63 180.549 4.734 11.948 1.00 0.00 N ATOM 0 H ARG A 63 175.785 -2.281 12.886 1.00 0.00 H new ATOM 0 HA ARG A 63 175.981 -0.061 11.046 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.233 -0.855 12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.640 -0.762 11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.295 1.530 11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 63 177.114 1.532 12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 63 178.821 1.273 13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 63 180.046 0.905 12.792 1.00 0.00 H new ATOM 0 HE ARG A 63 179.085 3.554 13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 63 180.640 1.651 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 63 181.448 3.052 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 63 180.134 5.342 12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 63 181.163 5.127 11.235 1.00 0.00 H new ATOM 913 N TRP A 64 176.277 -1.765 9.252 1.00 0.00 N ATOM 914 CA TRP A 64 176.354 -2.790 8.230 1.00 0.00 C ATOM 915 C TRP A 64 177.796 -2.974 7.785 1.00 0.00 C ATOM 916 O TRP A 64 178.616 -2.060 7.897 1.00 0.00 O ATOM 917 CB TRP A 64 175.500 -2.431 7.019 1.00 0.00 C ATOM 918 CG TRP A 64 174.091 -2.038 7.350 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.685 -0.937 8.047 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.898 -2.744 6.984 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.316 -0.918 8.140 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.809 -2.016 7.496 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.644 -3.922 6.275 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.489 -2.424 7.320 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.332 -4.327 6.101 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.269 -3.579 6.622 1.00 0.00 C ATOM 0 H TRP A 64 175.948 -0.857 8.923 1.00 0.00 H new ATOM 0 HA TRP A 64 175.976 -3.717 8.661 1.00 0.00 H new ATOM 0 HB2 TRP A 64 175.977 -1.610 6.484 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.477 -3.284 6.340 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.344 -0.190 8.464 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.765 -0.202 8.613 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.457 -4.506 5.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.668 -1.848 7.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.125 -5.235 5.554 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.256 -3.921 6.470 1.00 0.00 H new ATOM 937 N THR A 65 178.097 -4.160 7.281 1.00 0.00 N ATOM 938 CA THR A 65 179.441 -4.475 6.816 1.00 0.00 C ATOM 939 C THR A 65 179.406 -5.184 5.467 1.00 0.00 C ATOM 940 O THR A 65 178.856 -6.279 5.344 1.00 0.00 O ATOM 941 CB THR A 65 180.168 -5.342 7.847 1.00 0.00 C ATOM 942 OG1 THR A 65 180.282 -4.659 9.085 1.00 0.00 O ATOM 943 CG2 THR A 65 181.563 -5.745 7.417 1.00 0.00 C ATOM 0 H THR A 65 177.428 -4.923 7.183 1.00 0.00 H new ATOM 0 HA THR A 65 179.982 -3.537 6.692 1.00 0.00 H new ATOM 0 HB THR A 65 179.561 -6.242 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 65 181.039 -5.022 9.591 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.020 -6.358 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.507 -6.316 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.167 -4.852 7.257 1.00 0.00 H new ATOM 951 N PHE A 66 180.009 -4.562 4.460 1.00 0.00 N ATOM 952 CA PHE A 66 180.060 -5.143 3.125 1.00 0.00 C ATOM 953 C PHE A 66 181.507 -5.334 2.684 1.00 0.00 C ATOM 954 O PHE A 66 182.117 -4.428 2.117 1.00 0.00 O ATOM 955 CB PHE A 66 179.317 -4.258 2.121 1.00 0.00 C ATOM 956 CG PHE A 66 179.383 -4.772 0.711 1.00 0.00 C ATOM 957 CD1 PHE A 66 178.685 -5.910 0.342 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.148 -4.121 -0.243 1.00 0.00 C ATOM 959 CE1 PHE A 66 178.748 -6.389 -0.952 1.00 0.00 C ATOM 960 CE2 PHE A 66 180.214 -4.594 -1.539 1.00 0.00 C ATOM 961 CZ PHE A 66 179.513 -5.731 -1.895 1.00 0.00 C ATOM 0 H PHE A 66 180.469 -3.656 4.544 1.00 0.00 H new ATOM 0 HA PHE A 66 179.570 -6.116 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.273 -4.177 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.737 -3.253 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.085 -6.429 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.699 -3.233 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 66 178.199 -7.278 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.813 -4.076 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 66 179.563 -6.104 -2.907 1.00 0.00 H new ATOM 971 N ARG A 67 182.053 -6.514 2.957 1.00 0.00 N ATOM 972 CA ARG A 67 183.431 -6.816 2.595 1.00 0.00 C ATOM 973 C ARG A 67 183.494 -7.735 1.378 1.00 0.00 C ATOM 974 O ARG A 67 182.636 -8.597 1.191 1.00 0.00 O ATOM 975 CB ARG A 67 184.160 -7.463 3.773 1.00 0.00 C ATOM 976 CG ARG A 67 183.596 -8.819 4.170 1.00 0.00 C ATOM 977 CD ARG A 67 184.700 -9.817 4.485 1.00 0.00 C ATOM 978 NE ARG A 67 184.585 -10.350 5.839 1.00 0.00 N ATOM 979 CZ ARG A 67 185.582 -10.948 6.487 1.00 0.00 C ATOM 980 NH1 ARG A 67 186.769 -11.091 5.909 1.00 0.00 N ATOM 981 NH2 ARG A 67 185.392 -11.406 7.718 1.00 0.00 N ATOM 0 H ARG A 67 181.563 -7.275 3.427 1.00 0.00 H new ATOM 0 HA ARG A 67 183.922 -5.877 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 67 185.214 -7.578 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.111 -6.793 4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 67 182.950 -8.704 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 67 182.975 -9.206 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.663 -10.637 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 67 185.670 -9.334 4.367 1.00 0.00 H new ATOM 0 HE ARG A 67 183.688 -10.259 6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 67 186.921 -10.742 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 67 187.529 -11.550 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 67 184.482 -11.300 8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 186.156 -11.864 8.215 1.00 0.00 H new ATOM 995 N ASP A 68 184.522 -7.543 0.556 1.00 0.00 N ATOM 996 CA ASP A 68 184.708 -8.352 -0.643 1.00 0.00 C ATOM 997 C ASP A 68 186.177 -8.731 -0.815 1.00 0.00 C ATOM 998 O ASP A 68 187.004 -7.892 -1.166 1.00 0.00 O ATOM 999 CB ASP A 68 184.217 -7.594 -1.877 1.00 0.00 C ATOM 1000 CG ASP A 68 184.181 -8.467 -3.117 1.00 0.00 C ATOM 1001 OD1 ASP A 68 185.125 -9.260 -3.312 1.00 0.00 O ATOM 1002 OD2 ASP A 68 183.208 -8.357 -3.892 1.00 0.00 O ATOM 0 H ASP A 68 185.240 -6.833 0.699 1.00 0.00 H new ATOM 0 HA ASP A 68 184.123 -9.265 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.219 -7.200 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.868 -6.739 -2.057 1.00 0.00 H new ATOM 1007 N ARG A 69 186.489 -9.998 -0.558 1.00 0.00 N ATOM 1008 CA ARG A 69 187.858 -10.493 -0.678 1.00 0.00 C ATOM 1009 C ARG A 69 188.152 -11.002 -2.089 1.00 0.00 C ATOM 1010 O ARG A 69 189.059 -11.810 -2.287 1.00 0.00 O ATOM 1011 CB ARG A 69 188.104 -11.612 0.338 1.00 0.00 C ATOM 1012 CG ARG A 69 189.570 -11.804 0.689 1.00 0.00 C ATOM 1013 CD ARG A 69 189.942 -13.277 0.754 1.00 0.00 C ATOM 1014 NE ARG A 69 190.765 -13.584 1.921 1.00 0.00 N ATOM 1015 CZ ARG A 69 191.184 -14.809 2.231 1.00 0.00 C ATOM 1016 NH1 ARG A 69 190.859 -15.842 1.466 1.00 0.00 N ATOM 1017 NH2 ARG A 69 191.930 -15.001 3.312 1.00 0.00 N ATOM 0 H ARG A 69 185.812 -10.702 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 69 188.530 -9.659 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 69 187.547 -11.393 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 69 187.709 -12.546 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 190.191 -11.304 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 69 189.780 -11.333 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 69 189.034 -13.879 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 190.480 -13.555 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 69 191.034 -12.815 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 69 190.285 -15.700 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 69 191.183 -16.778 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 69 192.182 -14.210 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 69 192.251 -15.939 3.550 1.00 0.00 H new ATOM 1031 N ASN A 70 187.382 -10.533 -3.066 1.00 0.00 N ATOM 1032 CA ASN A 70 187.566 -10.951 -4.451 1.00 0.00 C ATOM 1033 C ASN A 70 187.526 -9.753 -5.395 1.00 0.00 C ATOM 1034 O ASN A 70 186.903 -9.808 -6.457 1.00 0.00 O ATOM 1035 CB ASN A 70 186.491 -11.965 -4.847 1.00 0.00 C ATOM 1036 CG ASN A 70 186.771 -13.351 -4.300 1.00 0.00 C ATOM 1037 OD1 ASN A 70 187.475 -14.146 -4.923 1.00 0.00 O ATOM 1038 ND2 ASN A 70 186.219 -13.648 -3.129 1.00 0.00 N ATOM 0 H ASN A 70 186.625 -9.864 -2.924 1.00 0.00 H new ATOM 0 HA ASN A 70 188.546 -11.420 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.522 -11.623 -4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.424 -12.013 -5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 70 186.372 -14.566 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 70 185.642 -12.958 -2.647 1.00 0.00 H new ATOM 1045 N ALA A 71 188.195 -8.675 -5.004 1.00 0.00 N ATOM 1046 CA ALA A 71 188.235 -7.465 -5.818 1.00 0.00 C ATOM 1047 C ALA A 71 189.667 -7.111 -6.205 1.00 0.00 C ATOM 1048 O ALA A 71 190.530 -6.939 -5.344 1.00 0.00 O ATOM 1049 CB ALA A 71 187.587 -6.308 -5.073 1.00 0.00 C ATOM 0 H ALA A 71 188.717 -8.613 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 71 187.675 -7.653 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.623 -5.411 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.549 -6.554 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.124 -6.129 -4.142 1.00 0.00 H new ATOM 1055 N LYS A 72 189.913 -7.005 -7.507 1.00 0.00 N ATOM 1056 CA LYS A 72 191.241 -6.671 -8.008 1.00 0.00 C ATOM 1057 C LYS A 72 191.556 -5.197 -7.777 1.00 0.00 C ATOM 1058 O LYS A 72 191.499 -4.387 -8.701 1.00 0.00 O ATOM 1059 CB LYS A 72 191.344 -7.000 -9.499 1.00 0.00 C ATOM 1060 CG LYS A 72 192.772 -7.010 -10.021 1.00 0.00 C ATOM 1061 CD LYS A 72 192.829 -6.649 -11.496 1.00 0.00 C ATOM 1062 CE LYS A 72 192.718 -7.883 -12.378 1.00 0.00 C ATOM 1063 NZ LYS A 72 193.726 -7.873 -13.475 1.00 0.00 N ATOM 0 H LYS A 72 189.211 -7.145 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 72 191.969 -7.269 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.893 -7.976 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 72 190.764 -6.271 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.374 -6.304 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 72 193.209 -7.997 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 192.021 -5.957 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 72 193.764 -6.132 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 72 192.852 -8.777 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 72 191.717 -7.935 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 193.618 -8.730 -14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 193.582 -7.033 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 194.682 -7.849 -13.067 1.00 0.00 H new ATOM 1077 N LEU A 73 191.890 -4.859 -6.536 1.00 0.00 N ATOM 1078 CA LEU A 73 192.215 -3.483 -6.181 1.00 0.00 C ATOM 1079 C LEU A 73 193.725 -3.273 -6.150 1.00 0.00 C ATOM 1080 O LEU A 73 194.476 -4.152 -5.728 1.00 0.00 O ATOM 1081 CB LEU A 73 191.612 -3.130 -4.820 1.00 0.00 C ATOM 1082 CG LEU A 73 190.110 -3.403 -4.689 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.826 -4.256 -3.461 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.333 -2.096 -4.621 1.00 0.00 C ATOM 0 H LEU A 73 191.943 -5.519 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 73 191.790 -2.827 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.137 -3.694 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.793 -2.074 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 73 189.784 -3.952 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.754 -4.439 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.351 -5.207 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.169 -3.734 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.268 -2.310 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.664 -1.520 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.509 -1.520 -5.530 1.00 0.00 H new ATOM 1096 N LYS A 74 194.164 -2.102 -6.603 1.00 0.00 N ATOM 1097 CA LYS A 74 195.586 -1.779 -6.627 1.00 0.00 C ATOM 1098 C LYS A 74 195.847 -0.417 -5.994 1.00 0.00 C ATOM 1099 O LYS A 74 194.946 0.417 -5.896 1.00 0.00 O ATOM 1100 CB LYS A 74 196.110 -1.796 -8.064 1.00 0.00 C ATOM 1101 CG LYS A 74 195.386 -0.829 -8.987 1.00 0.00 C ATOM 1102 CD LYS A 74 196.011 0.555 -8.944 1.00 0.00 C ATOM 1103 CE LYS A 74 196.002 1.212 -10.315 1.00 0.00 C ATOM 1104 NZ LYS A 74 196.525 2.605 -10.266 1.00 0.00 N ATOM 0 H LYS A 74 193.557 -1.363 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 74 196.114 -2.535 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 74 197.172 -1.552 -8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.017 -2.806 -8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 74 195.413 -1.210 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 74 194.337 -0.765 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 74 195.466 1.180 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 74 197.036 0.482 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 74 196.605 0.622 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 194.985 1.219 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 196.502 3.018 -11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 195.934 3.175 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 197.504 2.596 -9.916 1.00 0.00 H new ATOM 1118 N LEU A 75 197.084 -0.201 -5.563 1.00 0.00 N ATOM 1119 CA LEU A 75 197.469 1.058 -4.935 1.00 0.00 C ATOM 1120 C LEU A 75 197.463 2.198 -5.947 1.00 0.00 C ATOM 1121 O LEU A 75 197.986 2.067 -7.053 1.00 0.00 O ATOM 1122 CB LEU A 75 198.855 0.929 -4.300 1.00 0.00 C ATOM 1123 CG LEU A 75 199.135 1.890 -3.145 1.00 0.00 C ATOM 1124 CD1 LEU A 75 200.188 1.310 -2.212 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.578 3.245 -3.674 1.00 0.00 C ATOM 0 H LEU A 75 197.839 -0.883 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 75 196.739 1.286 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 75 198.978 -0.092 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.607 1.087 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 75 198.213 2.027 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.375 2.008 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.832 0.363 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 75 201.112 1.143 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.773 3.916 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.487 3.126 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.792 3.666 -4.301 1.00 0.00 H new ATOM 1137 N GLY A 76 196.861 3.317 -5.558 1.00 0.00 N ATOM 1138 CA GLY A 76 196.789 4.467 -6.436 1.00 0.00 C ATOM 1139 C GLY A 76 195.403 4.662 -7.011 1.00 0.00 C ATOM 1140 O GLY A 76 195.006 5.782 -7.333 1.00 0.00 O ATOM 0 H GLY A 76 196.421 3.447 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.081 5.361 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.504 4.346 -7.250 1.00 0.00 H new ATOM 1144 N ASP A 77 194.665 3.565 -7.143 1.00 0.00 N ATOM 1145 CA ASP A 77 193.319 3.609 -7.684 1.00 0.00 C ATOM 1146 C ASP A 77 192.418 4.508 -6.842 1.00 0.00 C ATOM 1147 O ASP A 77 192.750 4.859 -5.707 1.00 0.00 O ATOM 1148 CB ASP A 77 192.732 2.199 -7.758 1.00 0.00 C ATOM 1149 CG ASP A 77 191.497 2.133 -8.634 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.414 2.541 -8.165 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.613 1.672 -9.789 1.00 0.00 O ATOM 0 H ASP A 77 194.982 2.632 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 77 193.373 4.026 -8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.486 1.514 -8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.480 1.860 -6.753 1.00 0.00 H new ATOM 1156 N LYS A 78 191.275 4.874 -7.412 1.00 0.00 N ATOM 1157 CA LYS A 78 190.314 5.733 -6.728 1.00 0.00 C ATOM 1158 C LYS A 78 188.940 5.072 -6.683 1.00 0.00 C ATOM 1159 O LYS A 78 188.610 4.245 -7.532 1.00 0.00 O ATOM 1160 CB LYS A 78 190.221 7.087 -7.435 1.00 0.00 C ATOM 1161 CG LYS A 78 189.741 8.215 -6.534 1.00 0.00 C ATOM 1162 CD LYS A 78 190.898 9.081 -6.059 1.00 0.00 C ATOM 1163 CE LYS A 78 191.282 8.758 -4.625 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.509 9.489 -4.199 1.00 0.00 N ATOM 0 H LYS A 78 190.990 4.588 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 78 190.658 5.889 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.201 7.346 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.543 6.998 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.021 8.831 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.220 7.797 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 78 191.759 8.930 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 78 190.622 10.133 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.457 9.017 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 78 191.446 7.685 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.737 9.241 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 193.303 9.223 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.344 10.514 -4.268 1.00 0.00 H new ATOM 1178 N ILE A 79 188.149 5.435 -5.682 1.00 0.00 N ATOM 1179 CA ILE A 79 186.815 4.870 -5.516 1.00 0.00 C ATOM 1180 C ILE A 79 185.719 5.917 -5.727 1.00 0.00 C ATOM 1181 O ILE A 79 185.859 7.071 -5.321 1.00 0.00 O ATOM 1182 CB ILE A 79 186.654 4.175 -4.141 1.00 0.00 C ATOM 1183 CG1 ILE A 79 186.935 2.678 -4.288 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.262 4.395 -3.561 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.386 2.360 -4.579 1.00 0.00 C ATOM 0 H ILE A 79 188.408 6.119 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 79 186.700 4.112 -6.290 1.00 0.00 H new ATOM 0 HB ILE A 79 187.372 4.617 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.637 2.169 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.316 2.278 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.186 3.893 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.087 5.463 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.515 3.987 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.511 1.281 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.684 2.840 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.010 2.730 -3.765 1.00 0.00 H new ATOM 1197 N TYR A 80 184.620 5.489 -6.335 1.00 0.00 N ATOM 1198 CA TYR A 80 183.469 6.355 -6.577 1.00 0.00 C ATOM 1199 C TYR A 80 182.195 5.535 -6.425 1.00 0.00 C ATOM 1200 O TYR A 80 182.065 4.480 -7.045 1.00 0.00 O ATOM 1201 CB TYR A 80 183.547 6.977 -7.971 1.00 0.00 C ATOM 1202 CG TYR A 80 184.611 8.043 -8.093 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.496 9.247 -7.411 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.734 7.844 -8.887 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.467 10.223 -7.518 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.710 8.816 -8.999 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.573 10.003 -8.313 1.00 0.00 C ATOM 1208 OH TYR A 80 187.543 10.973 -8.421 1.00 0.00 O ATOM 0 H TYR A 80 184.500 4.535 -6.674 1.00 0.00 H new ATOM 0 HA TYR A 80 183.466 7.168 -5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.744 6.192 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.579 7.410 -8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.633 9.423 -6.786 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.846 6.914 -9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.361 11.154 -6.982 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.576 8.646 -9.621 1.00 0.00 H new ATOM 0 HH TYR A 80 188.254 10.659 -9.018 1.00 0.00 H new ATOM 1218 N PHE A 81 181.269 5.981 -5.574 1.00 0.00 N ATOM 1219 CA PHE A 81 180.052 5.206 -5.359 1.00 0.00 C ATOM 1220 C PHE A 81 178.913 6.004 -4.750 1.00 0.00 C ATOM 1221 O PHE A 81 179.002 7.209 -4.517 1.00 0.00 O ATOM 1222 CB PHE A 81 180.353 4.047 -4.410 1.00 0.00 C ATOM 1223 CG PHE A 81 181.006 4.483 -3.129 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.309 4.953 -3.117 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.306 4.430 -1.934 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.902 5.358 -1.935 1.00 0.00 C ATOM 1227 CE2 PHE A 81 180.894 4.833 -0.751 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.193 5.297 -0.751 1.00 0.00 C ATOM 0 H PHE A 81 181.335 6.847 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 81 179.735 4.869 -6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.424 3.526 -4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.002 3.332 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 81 182.867 5.004 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.288 4.069 -1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 81 183.919 5.722 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.337 4.785 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.655 5.612 0.173 1.00 0.00 H new ATOM 1238 N TRP A 82 177.856 5.258 -4.455 1.00 0.00 N ATOM 1239 CA TRP A 82 176.660 5.776 -3.815 1.00 0.00 C ATOM 1240 C TRP A 82 176.019 4.645 -3.021 1.00 0.00 C ATOM 1241 O TRP A 82 175.839 3.542 -3.535 1.00 0.00 O ATOM 1242 CB TRP A 82 175.677 6.366 -4.833 1.00 0.00 C ATOM 1243 CG TRP A 82 175.078 5.367 -5.773 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.715 4.714 -6.784 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.716 4.920 -5.804 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.838 3.897 -7.450 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.603 3.999 -6.862 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.583 5.209 -5.038 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.403 3.366 -7.174 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.392 4.578 -5.347 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.310 3.666 -6.409 1.00 0.00 C ATOM 0 H TRP A 82 177.808 4.260 -4.658 1.00 0.00 H new ATOM 0 HA TRP A 82 176.933 6.593 -3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 82 174.872 6.866 -4.294 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.192 7.130 -5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.762 4.824 -7.027 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.067 3.309 -8.252 1.00 0.00 H new ATOM 0 HE3 TRP A 82 172.637 5.912 -4.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.338 2.663 -7.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.510 4.791 -4.761 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.365 3.191 -6.627 1.00 0.00 H new ATOM 1262 N THR A 83 175.707 4.907 -1.760 1.00 0.00 N ATOM 1263 CA THR A 83 175.123 3.884 -0.899 1.00 0.00 C ATOM 1264 C THR A 83 173.624 4.060 -0.797 1.00 0.00 C ATOM 1265 O THR A 83 173.111 5.122 -1.095 1.00 0.00 O ATOM 1266 CB THR A 83 175.752 3.937 0.496 1.00 0.00 C ATOM 1267 OG1 THR A 83 176.149 5.259 0.816 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.965 3.046 0.641 1.00 0.00 C ATOM 0 H THR A 83 175.846 5.812 -1.311 1.00 0.00 H new ATOM 0 HA THR A 83 175.329 2.910 -1.343 1.00 0.00 H new ATOM 0 HB THR A 83 174.978 3.581 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.073 5.403 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.361 3.132 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.681 2.011 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.729 3.352 -0.074 1.00 0.00 H new ATOM 1276 N TYR A 84 172.925 3.013 -0.385 1.00 0.00 N ATOM 1277 CA TYR A 84 171.482 3.075 -0.259 1.00 0.00 C ATOM 1278 C TYR A 84 171.019 2.309 0.974 1.00 0.00 C ATOM 1279 O TYR A 84 171.511 1.222 1.255 1.00 0.00 O ATOM 1280 CB TYR A 84 170.839 2.492 -1.513 1.00 0.00 C ATOM 1281 CG TYR A 84 169.331 2.604 -1.545 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.697 3.796 -1.223 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.543 1.516 -1.903 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.320 3.903 -1.254 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.165 1.616 -1.939 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.558 2.811 -1.614 1.00 0.00 C ATOM 1287 OH TYR A 84 165.187 2.914 -1.648 1.00 0.00 O ATOM 0 H TYR A 84 173.335 2.114 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 84 171.179 4.116 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.249 2.999 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.116 1.441 -1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.290 4.654 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.015 0.578 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.842 4.837 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.566 0.762 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 84 164.801 2.056 -1.922 1.00 0.00 H new ATOM 1297 N VAL A 85 170.072 2.879 1.703 1.00 0.00 N ATOM 1298 CA VAL A 85 169.545 2.236 2.901 1.00 0.00 C ATOM 1299 C VAL A 85 168.020 2.239 2.868 1.00 0.00 C ATOM 1300 O VAL A 85 167.417 3.007 2.121 1.00 0.00 O ATOM 1301 CB VAL A 85 170.059 2.919 4.208 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.908 4.142 3.897 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.914 3.303 5.141 1.00 0.00 C ATOM 0 H VAL A 85 169.652 3.783 1.488 1.00 0.00 H new ATOM 0 HA VAL A 85 169.906 1.208 2.908 1.00 0.00 H new ATOM 0 HB VAL A 85 170.679 2.183 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.250 4.594 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.770 3.844 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.313 4.866 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.317 3.775 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.248 4.000 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.357 2.409 5.421 1.00 0.00 H new ATOM 1313 N ILE A 86 167.405 1.391 3.686 1.00 0.00 N ATOM 1314 CA ILE A 86 165.948 1.307 3.756 1.00 0.00 C ATOM 1315 C ILE A 86 165.479 1.253 5.197 1.00 0.00 C ATOM 1316 O ILE A 86 165.609 0.224 5.853 1.00 0.00 O ATOM 1317 CB ILE A 86 165.398 0.067 3.028 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.917 0.021 1.601 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.875 0.065 3.045 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.409 1.142 0.730 1.00 0.00 C ATOM 0 H ILE A 86 167.893 0.750 4.312 1.00 0.00 H new ATOM 0 HA ILE A 86 165.570 2.203 3.265 1.00 0.00 H new ATOM 0 HB ILE A 86 165.745 -0.824 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.006 0.054 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.634 -0.931 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.506 -0.819 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.523 0.053 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.504 0.960 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 86 165.824 1.040 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.321 1.099 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.714 2.099 1.153 1.00 0.00 H new ATOM 1332 N LYS A 87 164.926 2.360 5.673 1.00 0.00 N ATOM 1333 CA LYS A 87 164.424 2.446 7.039 1.00 0.00 C ATOM 1334 C LYS A 87 162.906 2.296 7.062 1.00 0.00 C ATOM 1335 O LYS A 87 162.183 3.238 7.388 1.00 0.00 O ATOM 1336 CB LYS A 87 164.830 3.780 7.668 1.00 0.00 C ATOM 1337 CG LYS A 87 164.983 3.719 9.180 1.00 0.00 C ATOM 1338 CD LYS A 87 163.686 4.076 9.891 1.00 0.00 C ATOM 1339 CE LYS A 87 163.881 5.222 10.871 1.00 0.00 C ATOM 1340 NZ LYS A 87 163.421 6.520 10.305 1.00 0.00 N ATOM 0 H LYS A 87 164.813 3.216 5.130 1.00 0.00 H new ATOM 0 HA LYS A 87 164.862 1.634 7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.772 4.107 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.083 4.533 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 87 165.296 2.717 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.771 4.404 9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 87 162.931 4.351 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.310 3.202 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 87 163.333 5.012 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 87 164.935 5.296 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 163.571 7.276 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 163.961 6.734 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 162.409 6.458 10.073 1.00 0.00 H new ATOM 1354 N ASP A 88 162.429 1.106 6.712 1.00 0.00 N ATOM 1355 CA ASP A 88 160.995 0.833 6.690 1.00 0.00 C ATOM 1356 C ASP A 88 160.292 1.714 5.660 1.00 0.00 C ATOM 1357 O ASP A 88 159.432 2.525 6.004 1.00 0.00 O ATOM 1358 CB ASP A 88 160.391 1.057 8.078 1.00 0.00 C ATOM 1359 CG ASP A 88 159.310 0.048 8.408 1.00 0.00 C ATOM 1360 OD1 ASP A 88 159.593 -1.167 8.344 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.181 0.471 8.733 1.00 0.00 O ATOM 0 H ASP A 88 163.013 0.315 6.440 1.00 0.00 H new ATOM 0 HA ASP A 88 160.849 -0.209 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 88 161.180 0.999 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 88 159.974 2.063 8.132 1.00 0.00 H new ATOM 1366 N GLY A 89 160.665 1.550 4.394 1.00 0.00 N ATOM 1367 CA GLY A 89 160.062 2.337 3.334 1.00 0.00 C ATOM 1368 C GLY A 89 160.548 3.773 3.329 1.00 0.00 C ATOM 1369 O GLY A 89 159.827 4.678 2.911 1.00 0.00 O ATOM 0 H GLY A 89 161.374 0.886 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.287 1.877 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.978 2.324 3.448 1.00 0.00 H new ATOM 1373 N LEU A 90 161.776 3.979 3.795 1.00 0.00 N ATOM 1374 CA LEU A 90 162.367 5.315 3.848 1.00 0.00 C ATOM 1375 C LEU A 90 163.851 5.244 3.542 1.00 0.00 C ATOM 1376 O LEU A 90 164.691 5.342 4.437 1.00 0.00 O ATOM 1377 CB LEU A 90 162.141 5.937 5.223 1.00 0.00 C ATOM 1378 CG LEU A 90 160.774 5.637 5.826 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.736 6.023 7.296 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.689 6.361 5.045 1.00 0.00 C ATOM 0 H LEU A 90 162.384 3.237 4.142 1.00 0.00 H new ATOM 0 HA LEU A 90 161.885 5.941 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.913 5.578 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.262 7.017 5.145 1.00 0.00 H new ATOM 0 HG LEU A 90 160.591 4.565 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.751 5.800 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.492 5.457 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.938 7.089 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.716 6.140 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.869 7.435 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.703 6.027 4.007 1.00 0.00 H new ATOM 1392 N GLY A 91 164.162 5.038 2.275 1.00 0.00 N ATOM 1393 CA GLY A 91 165.535 4.916 1.863 1.00 0.00 C ATOM 1394 C GLY A 91 166.260 6.235 1.686 1.00 0.00 C ATOM 1395 O GLY A 91 165.645 7.286 1.505 1.00 0.00 O ATOM 0 H GLY A 91 163.480 4.953 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.070 4.318 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.571 4.368 0.922 1.00 0.00 H new ATOM 1399 N TYR A 92 167.584 6.148 1.727 1.00 0.00 N ATOM 1400 CA TYR A 92 168.463 7.305 1.561 1.00 0.00 C ATOM 1401 C TYR A 92 169.796 6.837 0.987 1.00 0.00 C ATOM 1402 O TYR A 92 170.256 5.743 1.312 1.00 0.00 O ATOM 1403 CB TYR A 92 168.680 8.009 2.901 1.00 0.00 C ATOM 1404 CG TYR A 92 167.401 8.254 3.670 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.497 9.227 3.261 1.00 0.00 C ATOM 1406 CD2 TYR A 92 167.095 7.511 4.804 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.327 9.453 3.960 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.927 7.730 5.507 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.046 8.702 5.082 1.00 0.00 C ATOM 1410 OH TYR A 92 163.881 8.925 5.781 1.00 0.00 O ATOM 0 H TYR A 92 168.083 5.271 1.877 1.00 0.00 H new ATOM 0 HA TYR A 92 168.000 8.016 0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.353 7.408 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.177 8.963 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.713 9.816 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.783 6.749 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.636 10.214 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.704 7.143 6.386 1.00 0.00 H new ATOM 0 HH TYR A 92 163.835 8.312 6.544 1.00 0.00 H new ATOM 1420 N ARG A 93 170.417 7.639 0.122 1.00 0.00 N ATOM 1421 CA ARG A 93 171.679 7.235 -0.474 1.00 0.00 C ATOM 1422 C ARG A 93 172.763 8.286 -0.338 1.00 0.00 C ATOM 1423 O ARG A 93 172.527 9.479 -0.520 1.00 0.00 O ATOM 1424 CB ARG A 93 171.493 6.909 -1.953 1.00 0.00 C ATOM 1425 CG ARG A 93 171.017 8.089 -2.785 1.00 0.00 C ATOM 1426 CD ARG A 93 169.511 8.273 -2.683 1.00 0.00 C ATOM 1427 NE ARG A 93 168.926 8.707 -3.949 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.665 7.887 -4.965 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.932 6.592 -4.867 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.133 8.365 -6.082 1.00 0.00 N ATOM 0 H ARG A 93 170.072 8.552 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 93 172.001 6.350 0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.439 6.549 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.774 6.095 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.519 8.997 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.296 7.936 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.051 7.334 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.287 9.007 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 93 168.704 9.696 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.340 6.219 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 93 168.730 5.969 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 93 167.924 9.360 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.933 7.737 -6.861 1.00 0.00 H new ATOM 1444 N GLN A 94 173.971 7.811 -0.063 1.00 0.00 N ATOM 1445 CA GLN A 94 175.123 8.681 0.049 1.00 0.00 C ATOM 1446 C GLN A 94 175.877 8.656 -1.268 1.00 0.00 C ATOM 1447 O GLN A 94 176.892 7.972 -1.405 1.00 0.00 O ATOM 1448 CB GLN A 94 176.042 8.240 1.190 1.00 0.00 C ATOM 1449 CG GLN A 94 176.941 9.355 1.697 1.00 0.00 C ATOM 1450 CD GLN A 94 178.314 8.861 2.109 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.796 9.171 3.199 1.00 0.00 O ATOM 1452 NE2 GLN A 94 178.956 8.093 1.235 1.00 0.00 N ATOM 0 H GLN A 94 174.174 6.823 0.086 1.00 0.00 H new ATOM 0 HA GLN A 94 174.786 9.693 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.434 7.868 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.660 7.409 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.050 10.110 0.918 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.464 9.841 2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 94 178.519 7.861 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 94 179.885 7.736 1.456 1.00 0.00 H new ATOM 1461 N ASP A 95 175.346 9.379 -2.245 1.00 0.00 N ATOM 1462 CA ASP A 95 175.943 9.430 -3.571 1.00 0.00 C ATOM 1463 C ASP A 95 177.108 10.405 -3.618 1.00 0.00 C ATOM 1464 O ASP A 95 177.406 11.090 -2.640 1.00 0.00 O ATOM 1465 CB ASP A 95 174.896 9.826 -4.609 1.00 0.00 C ATOM 1466 CG ASP A 95 174.230 11.150 -4.286 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.476 11.209 -3.293 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.465 12.129 -5.027 1.00 0.00 O ATOM 0 H ASP A 95 174.500 9.940 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 95 176.322 8.434 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.367 9.890 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.137 9.046 -4.670 1.00 0.00 H new ATOM 1473 N ASN A 96 177.762 10.459 -4.770 1.00 0.00 N ATOM 1474 CA ASN A 96 178.898 11.345 -4.966 1.00 0.00 C ATOM 1475 C ASN A 96 180.025 11.013 -3.987 1.00 0.00 C ATOM 1476 O ASN A 96 180.921 11.825 -3.760 1.00 0.00 O ATOM 1477 CB ASN A 96 178.456 12.799 -4.795 1.00 0.00 C ATOM 1478 CG ASN A 96 179.588 13.787 -5.003 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.198 14.261 -4.045 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.873 14.104 -6.259 1.00 0.00 N ATOM 0 H ASN A 96 177.523 9.896 -5.586 1.00 0.00 H new ATOM 0 HA ASN A 96 179.278 11.203 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.656 13.016 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.042 12.933 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.624 14.765 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.342 13.687 -7.023 1.00 0.00 H new ATOM 1487 N GLY A 97 179.980 9.811 -3.414 1.00 0.00 N ATOM 1488 CA GLY A 97 181.012 9.409 -2.478 1.00 0.00 C ATOM 1489 C GLY A 97 182.289 9.003 -3.178 1.00 0.00 C ATOM 1490 O GLY A 97 182.286 8.719 -4.375 1.00 0.00 O ATOM 0 H GLY A 97 179.253 9.115 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.220 10.231 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.649 8.577 -1.875 1.00 0.00 H new ATOM 1494 N GLU A 98 183.382 8.978 -2.430 1.00 0.00 N ATOM 1495 CA GLU A 98 184.674 8.604 -2.991 1.00 0.00 C ATOM 1496 C GLU A 98 185.603 8.046 -1.918 1.00 0.00 C ATOM 1497 O GLU A 98 185.424 8.303 -0.728 1.00 0.00 O ATOM 1498 CB GLU A 98 185.327 9.810 -3.669 1.00 0.00 C ATOM 1499 CG GLU A 98 185.645 10.950 -2.713 1.00 0.00 C ATOM 1500 CD GLU A 98 184.451 11.852 -2.465 1.00 0.00 C ATOM 1501 OE1 GLU A 98 183.920 12.417 -3.445 1.00 0.00 O ATOM 1502 OE2 GLU A 98 184.046 11.994 -1.292 1.00 0.00 O ATOM 0 H GLU A 98 183.402 9.211 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 98 184.502 7.824 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.248 9.488 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.665 10.178 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 98 185.988 10.539 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.465 11.542 -3.119 1.00 0.00 H new ATOM 1509 N TRP A 99 186.602 7.286 -2.355 1.00 0.00 N ATOM 1510 CA TRP A 99 187.573 6.693 -1.444 1.00 0.00 C ATOM 1511 C TRP A 99 188.890 6.420 -2.177 1.00 0.00 C ATOM 1512 O TRP A 99 188.951 6.496 -3.404 1.00 0.00 O ATOM 1513 CB TRP A 99 187.009 5.411 -0.831 1.00 0.00 C ATOM 1514 CG TRP A 99 187.976 4.701 0.060 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.400 5.092 1.300 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.650 3.478 -0.227 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.301 4.180 1.795 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.468 3.179 0.874 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.634 2.607 -1.315 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.268 2.041 0.914 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.426 1.479 -1.275 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.232 1.204 -0.168 1.00 0.00 C ATOM 0 H TRP A 99 186.760 7.066 -3.338 1.00 0.00 H new ATOM 0 HA TRP A 99 187.775 7.395 -0.635 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.113 5.654 -0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.704 4.738 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.075 5.985 1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.769 4.239 2.700 1.00 0.00 H new ATOM 0 HE3 TRP A 99 188.012 2.812 -2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.894 1.826 1.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.423 0.797 -2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.840 0.311 -0.166 1.00 0.00 H new ATOM 1533 N THR A 100 189.950 6.139 -1.421 1.00 0.00 N ATOM 1534 CA THR A 100 191.270 5.899 -2.007 1.00 0.00 C ATOM 1535 C THR A 100 191.711 4.441 -1.902 1.00 0.00 C ATOM 1536 O THR A 100 191.228 3.691 -1.056 1.00 0.00 O ATOM 1537 CB THR A 100 192.304 6.776 -1.299 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.478 6.901 -2.081 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.713 6.243 0.066 1.00 0.00 C ATOM 0 H THR A 100 189.922 6.072 -0.404 1.00 0.00 H new ATOM 0 HA THR A 100 191.198 6.146 -3.066 1.00 0.00 H new ATOM 0 HB THR A 100 191.817 7.741 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.258 6.654 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.448 6.912 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.836 6.184 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.148 5.250 -0.047 1.00 0.00 H new ATOM 1547 N VAL A 101 192.668 4.064 -2.744 1.00 0.00 N ATOM 1548 CA VAL A 101 193.222 2.715 -2.728 1.00 0.00 C ATOM 1549 C VAL A 101 194.737 2.749 -2.512 1.00 0.00 C ATOM 1550 O VAL A 101 195.394 1.708 -2.514 1.00 0.00 O ATOM 1551 CB VAL A 101 192.931 1.952 -4.032 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.156 0.461 -3.827 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.512 2.222 -4.511 1.00 0.00 C ATOM 0 H VAL A 101 193.077 4.677 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 101 192.737 2.195 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 101 193.617 2.305 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 101 192.947 -0.070 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.191 0.286 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.491 0.097 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.329 1.672 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.803 1.898 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.386 3.289 -4.693 1.00 0.00 H new ATOM 1563 N THR A 102 195.287 3.951 -2.334 1.00 0.00 N ATOM 1564 CA THR A 102 196.722 4.123 -2.127 1.00 0.00 C ATOM 1565 C THR A 102 197.199 3.463 -0.835 1.00 0.00 C ATOM 1566 O THR A 102 198.401 3.301 -0.625 1.00 0.00 O ATOM 1567 CB THR A 102 197.076 5.610 -2.109 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.511 6.247 -0.978 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.603 6.353 -3.340 1.00 0.00 C ATOM 0 H THR A 102 194.756 4.822 -2.329 1.00 0.00 H new ATOM 0 HA THR A 102 197.231 3.633 -2.957 1.00 0.00 H new ATOM 0 HB THR A 102 198.165 5.647 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.750 7.197 -0.984 1.00 0.00 H new ATOM 0 HG21 THR A 102 196.887 7.403 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 102 197.063 5.917 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 102 195.519 6.275 -3.418 1.00 0.00 H new ATOM 1577 N GLU A 103 196.264 3.088 0.031 1.00 0.00 N ATOM 1578 CA GLU A 103 196.615 2.451 1.296 1.00 0.00 C ATOM 1579 C GLU A 103 195.787 1.194 1.523 1.00 0.00 C ATOM 1580 O GLU A 103 194.653 1.095 1.057 1.00 0.00 O ATOM 1581 CB GLU A 103 196.409 3.426 2.457 1.00 0.00 C ATOM 1582 CG GLU A 103 196.895 2.891 3.794 1.00 0.00 C ATOM 1583 CD GLU A 103 197.621 3.939 4.613 1.00 0.00 C ATOM 1584 OE1 GLU A 103 197.012 4.989 4.906 1.00 0.00 O ATOM 1585 OE2 GLU A 103 198.797 3.709 4.962 1.00 0.00 O ATOM 0 H GLU A 103 195.263 3.213 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 103 197.666 2.167 1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.931 4.357 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.349 3.666 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 103 196.044 2.517 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 103 197.560 2.045 3.622 1.00 0.00 H new ATOM 1592 N PHE A 104 196.356 0.235 2.247 1.00 0.00 N ATOM 1593 CA PHE A 104 195.666 -1.012 2.537 1.00 0.00 C ATOM 1594 C PHE A 104 195.768 -1.335 4.019 1.00 0.00 C ATOM 1595 O PHE A 104 196.784 -1.051 4.651 1.00 0.00 O ATOM 1596 CB PHE A 104 196.262 -2.156 1.715 1.00 0.00 C ATOM 1597 CG PHE A 104 196.177 -1.945 0.228 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.919 -0.951 -0.389 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.357 -2.745 -0.551 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.845 -0.758 -1.756 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.277 -2.557 -1.918 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.022 -1.562 -2.521 1.00 0.00 C ATOM 0 H PHE A 104 197.294 0.300 2.643 1.00 0.00 H new ATOM 0 HA PHE A 104 194.616 -0.896 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.307 -2.285 1.995 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.747 -3.082 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.563 -0.319 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.773 -3.525 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 104 197.429 0.020 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.633 -3.187 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.961 -1.413 -3.589 1.00 0.00 H new ATOM 1612 N VAL A 105 194.720 -1.932 4.572 1.00 0.00 N ATOM 1613 CA VAL A 105 194.718 -2.289 5.981 1.00 0.00 C ATOM 1614 C VAL A 105 195.070 -3.760 6.163 1.00 0.00 C ATOM 1615 O VAL A 105 195.029 -4.546 5.217 1.00 0.00 O ATOM 1616 CB VAL A 105 193.360 -1.984 6.654 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.018 -0.510 6.507 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.252 -2.851 6.066 1.00 0.00 C ATOM 0 H VAL A 105 193.867 -2.177 4.069 1.00 0.00 H new ATOM 0 HA VAL A 105 195.476 -1.675 6.468 1.00 0.00 H new ATOM 0 HB VAL A 105 193.445 -2.219 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.059 -0.309 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.793 0.092 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.956 -0.255 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.307 -2.617 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.164 -2.654 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.491 -3.903 6.223 1.00 0.00 H new