USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=19 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 100 THR OG1 : rot -125:sc= 0.147 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.139 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -169:sc= 0.107 (180deg=0) USER MOD Set 2.2: A 80 TYR OH : rot 130:sc= -0.0745 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 136:sc= 0.37 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HD1:sc= 0.346 K(o=0.72,f=-0.61) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0594) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= -0.161 USER MOD Single : A 32 SER OG : rot 36:sc= 0.946 USER MOD Single : A 37 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-8.8!) USER MOD Single : A 41 ASN :FLIP amide:sc= 0.817 F(o=0.24,f=0.82) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00425 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0565 (180deg=-0.299) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -140:sc= -1.83 USER MOD Single : A 70 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.068) 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 83 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.344 USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0988 (180deg=-0.561) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.593 K(o=-0.59,f=-8.2!) USER MOD Single : A 96 ASN : amide:sc= -0.814 X(o=-0.81,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 169.174 10.661 7.431 1.00 0.00 N ATOM 40 CA VAL A 8 170.029 10.783 6.254 1.00 0.00 C ATOM 41 C VAL A 8 170.873 9.529 6.052 1.00 0.00 C ATOM 42 O VAL A 8 171.060 8.738 6.974 1.00 0.00 O ATOM 43 CB VAL A 8 170.961 12.003 6.364 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.663 12.261 5.039 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.185 13.233 6.812 1.00 0.00 C ATOM 0 HA VAL A 8 169.369 10.913 5.396 1.00 0.00 H new ATOM 0 HB VAL A 8 171.720 11.788 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.317 13.127 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.255 11.388 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 8 170.920 12.453 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.862 14.084 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.401 13.453 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.735 13.044 7.787 1.00 0.00 H new ATOM 55 N VAL A 9 171.378 9.351 4.836 1.00 0.00 N ATOM 56 CA VAL A 9 172.199 8.191 4.513 1.00 0.00 C ATOM 57 C VAL A 9 173.529 8.216 5.272 1.00 0.00 C ATOM 58 O VAL A 9 174.217 9.237 5.292 1.00 0.00 O ATOM 59 CB VAL A 9 172.497 8.131 3.004 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.294 9.356 2.573 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.236 6.847 2.654 1.00 0.00 C ATOM 0 H VAL A 9 171.233 9.995 4.059 1.00 0.00 H new ATOM 0 HA VAL A 9 171.631 7.310 4.813 1.00 0.00 H new ATOM 0 HB VAL A 9 171.552 8.132 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.497 9.300 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.719 10.257 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.236 9.388 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.437 6.823 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.178 6.809 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.623 5.988 2.927 1.00 0.00 H new ATOM 71 N PRO A 10 173.915 7.090 5.902 1.00 0.00 N ATOM 72 CA PRO A 10 175.173 6.996 6.650 1.00 0.00 C ATOM 73 C PRO A 10 176.389 7.160 5.743 1.00 0.00 C ATOM 74 O PRO A 10 176.251 7.401 4.544 1.00 0.00 O ATOM 75 CB PRO A 10 175.146 5.581 7.247 1.00 0.00 C ATOM 76 CG PRO A 10 173.731 5.131 7.137 1.00 0.00 C ATOM 77 CD PRO A 10 173.168 5.823 5.931 1.00 0.00 C ATOM 0 HA PRO A 10 175.255 7.782 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 10 175.814 4.913 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.477 5.587 8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.674 4.048 7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.168 5.391 8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.323 5.241 5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.095 5.989 6.024 1.00 0.00 H new ATOM 85 N SER A 11 177.579 7.031 6.321 1.00 0.00 N ATOM 86 CA SER A 11 178.816 7.168 5.562 1.00 0.00 C ATOM 87 C SER A 11 179.512 5.822 5.386 1.00 0.00 C ATOM 88 O SER A 11 179.828 5.144 6.363 1.00 0.00 O ATOM 89 CB SER A 11 179.750 8.149 6.265 1.00 0.00 C ATOM 90 OG SER A 11 180.753 8.623 5.385 1.00 0.00 O ATOM 0 H SER A 11 177.712 6.832 7.312 1.00 0.00 H new ATOM 0 HA SER A 11 178.565 7.549 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.174 8.990 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.215 7.662 7.122 1.00 0.00 H new ATOM 0 HG SER A 11 181.336 9.251 5.861 1.00 0.00 H new ATOM 96 N ALA A 12 179.746 5.439 4.133 1.00 0.00 N ATOM 97 CA ALA A 12 180.403 4.172 3.831 1.00 0.00 C ATOM 98 C ALA A 12 181.919 4.281 3.967 1.00 0.00 C ATOM 99 O ALA A 12 182.583 4.922 3.152 1.00 0.00 O ATOM 100 CB ALA A 12 180.026 3.705 2.431 1.00 0.00 C ATOM 0 H ALA A 12 179.490 5.988 3.312 1.00 0.00 H new ATOM 0 HA ALA A 12 180.059 3.435 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.522 2.758 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.946 3.570 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.339 4.452 1.702 1.00 0.00 H new ATOM 106 N LYS A 13 182.459 3.636 4.997 1.00 0.00 N ATOM 107 CA LYS A 13 183.899 3.642 5.239 1.00 0.00 C ATOM 108 C LYS A 13 184.540 2.400 4.628 1.00 0.00 C ATOM 109 O LYS A 13 184.441 1.306 5.182 1.00 0.00 O ATOM 110 CB LYS A 13 184.185 3.697 6.743 1.00 0.00 C ATOM 111 CG LYS A 13 184.530 5.090 7.246 1.00 0.00 C ATOM 112 CD LYS A 13 185.381 5.032 8.504 1.00 0.00 C ATOM 113 CE LYS A 13 185.035 6.161 9.463 1.00 0.00 C ATOM 114 NZ LYS A 13 185.228 7.498 8.838 1.00 0.00 N ATOM 0 H LYS A 13 181.920 3.102 5.679 1.00 0.00 H new ATOM 0 HA LYS A 13 184.328 4.527 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.313 3.330 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 13 185.010 3.022 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.064 5.637 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 13 183.613 5.642 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 13 185.233 4.073 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.435 5.092 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 13 183.999 6.058 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 13 185.657 6.084 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 185.080 8.240 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 186.194 7.568 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 184.544 7.621 8.064 1.00 0.00 H new ATOM 128 N LEU A 14 185.180 2.576 3.478 1.00 0.00 N ATOM 129 CA LEU A 14 185.821 1.464 2.781 1.00 0.00 C ATOM 130 C LEU A 14 187.273 1.284 3.210 1.00 0.00 C ATOM 131 O LEU A 14 187.882 2.185 3.787 1.00 0.00 O ATOM 132 CB LEU A 14 185.756 1.682 1.269 1.00 0.00 C ATOM 133 CG LEU A 14 184.392 2.122 0.737 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.304 3.640 0.684 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.139 1.522 -0.639 1.00 0.00 C ATOM 0 H LEU A 14 185.270 3.477 3.008 1.00 0.00 H new ATOM 0 HA LEU A 14 185.278 0.557 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.496 2.433 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.042 0.755 0.771 1.00 0.00 H new ATOM 0 HG LEU A 14 183.622 1.758 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.326 3.935 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.441 4.048 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 185.082 4.027 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.164 1.845 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.913 1.856 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.159 0.434 -0.571 1.00 0.00 H new ATOM 147 N GLU A 15 187.817 0.108 2.912 1.00 0.00 N ATOM 148 CA GLU A 15 189.196 -0.220 3.248 1.00 0.00 C ATOM 149 C GLU A 15 189.793 -1.134 2.180 1.00 0.00 C ATOM 150 O GLU A 15 189.115 -2.028 1.673 1.00 0.00 O ATOM 151 CB GLU A 15 189.252 -0.901 4.616 1.00 0.00 C ATOM 152 CG GLU A 15 189.386 0.073 5.774 1.00 0.00 C ATOM 153 CD GLU A 15 189.328 -0.615 7.124 1.00 0.00 C ATOM 154 OE1 GLU A 15 189.569 -1.839 7.178 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.041 0.071 8.128 1.00 0.00 O ATOM 0 H GLU A 15 187.316 -0.640 2.433 1.00 0.00 H new ATOM 0 HA GLU A 15 189.779 0.700 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.349 -1.495 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.094 -1.593 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.330 0.610 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.590 0.815 5.714 1.00 0.00 H new ATOM 162 N ALA A 16 191.057 -0.907 1.829 1.00 0.00 N ATOM 163 CA ALA A 16 191.711 -1.721 0.806 1.00 0.00 C ATOM 164 C ALA A 16 192.332 -2.977 1.406 1.00 0.00 C ATOM 165 O ALA A 16 193.316 -2.908 2.142 1.00 0.00 O ATOM 166 CB ALA A 16 192.770 -0.908 0.078 1.00 0.00 C ATOM 0 H ALA A 16 191.643 -0.176 2.232 1.00 0.00 H new ATOM 0 HA ALA A 16 190.948 -2.032 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.248 -1.529 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.303 -0.047 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.520 -0.565 0.791 1.00 0.00 H new ATOM 172 N ILE A 17 191.746 -4.127 1.082 1.00 0.00 N ATOM 173 CA ILE A 17 192.232 -5.407 1.584 1.00 0.00 C ATOM 174 C ILE A 17 193.385 -5.931 0.733 1.00 0.00 C ATOM 175 O ILE A 17 193.560 -5.521 -0.414 1.00 0.00 O ATOM 176 CB ILE A 17 191.107 -6.461 1.610 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.821 -5.856 2.176 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.531 -7.670 2.430 1.00 0.00 C ATOM 179 CD1 ILE A 17 189.978 -5.298 3.574 1.00 0.00 C ATOM 0 H ILE A 17 190.931 -4.197 0.472 1.00 0.00 H new ATOM 0 HA ILE A 17 192.585 -5.235 2.601 1.00 0.00 H new ATOM 0 HB ILE A 17 190.915 -6.787 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.481 -5.061 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.043 -6.619 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.726 -8.405 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.423 -8.114 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.749 -7.359 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.027 -4.886 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.288 -6.094 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 17 190.733 -4.511 3.569 1.00 0.00 H new ATOM 191 N TYR A 18 194.169 -6.839 1.305 1.00 0.00 N ATOM 192 CA TYR A 18 195.307 -7.423 0.605 1.00 0.00 C ATOM 193 C TYR A 18 195.178 -8.946 0.545 1.00 0.00 C ATOM 194 O TYR A 18 194.741 -9.572 1.510 1.00 0.00 O ATOM 195 CB TYR A 18 196.611 -7.037 1.307 1.00 0.00 C ATOM 196 CG TYR A 18 197.819 -7.035 0.397 1.00 0.00 C ATOM 197 CD1 TYR A 18 198.178 -5.895 -0.311 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.599 -8.174 0.246 1.00 0.00 C ATOM 199 CE1 TYR A 18 199.280 -5.890 -1.145 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.703 -8.178 -0.586 1.00 0.00 C ATOM 201 CZ TYR A 18 200.040 -7.034 -1.278 1.00 0.00 C ATOM 202 OH TYR A 18 201.138 -7.033 -2.107 1.00 0.00 O ATOM 0 H TYR A 18 194.036 -7.187 2.255 1.00 0.00 H new ATOM 0 HA TYR A 18 195.321 -7.035 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.497 -6.046 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 18 196.789 -7.730 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 18 197.586 -4.998 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.339 -9.071 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 18 199.545 -4.996 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.298 -9.073 -0.693 1.00 0.00 H new ATOM 0 HH TYR A 18 201.564 -7.915 -2.087 1.00 0.00 H new ATOM 212 N PRO A 19 195.552 -9.568 -0.591 1.00 0.00 N ATOM 213 CA PRO A 19 196.075 -8.887 -1.769 1.00 0.00 C ATOM 214 C PRO A 19 194.971 -8.459 -2.732 1.00 0.00 C ATOM 215 O PRO A 19 195.246 -7.897 -3.793 1.00 0.00 O ATOM 216 CB PRO A 19 196.972 -9.951 -2.422 1.00 0.00 C ATOM 217 CG PRO A 19 196.686 -11.244 -1.712 1.00 0.00 C ATOM 218 CD PRO A 19 195.495 -11.008 -0.820 1.00 0.00 C ATOM 0 HA PRO A 19 196.597 -7.966 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 19 196.758 -10.038 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.024 -9.682 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.479 -12.039 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.549 -11.560 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.563 -11.306 -1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.568 -11.570 0.111 1.00 0.00 H new ATOM 226 N ARG A 20 193.723 -8.724 -2.358 1.00 0.00 N ATOM 227 CA ARG A 20 192.588 -8.364 -3.185 1.00 0.00 C ATOM 228 C ARG A 20 191.279 -8.547 -2.426 1.00 0.00 C ATOM 229 O ARG A 20 190.750 -9.656 -2.334 1.00 0.00 O ATOM 230 CB ARG A 20 192.573 -9.197 -4.469 1.00 0.00 C ATOM 231 CG ARG A 20 192.720 -10.691 -4.228 1.00 0.00 C ATOM 232 CD ARG A 20 194.175 -11.123 -4.274 1.00 0.00 C ATOM 233 NE ARG A 20 194.320 -12.523 -4.661 1.00 0.00 N ATOM 234 CZ ARG A 20 193.951 -13.548 -3.896 1.00 0.00 C ATOM 235 NH1 ARG A 20 193.419 -13.334 -2.699 1.00 0.00 N ATOM 236 NH2 ARG A 20 194.114 -14.792 -4.327 1.00 0.00 N ATOM 0 H ARG A 20 193.477 -9.188 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 20 192.687 -7.311 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.639 -9.013 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.381 -8.861 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 192.294 -10.948 -3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 192.153 -11.239 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 20 194.717 -10.494 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.630 -10.969 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 20 194.729 -12.728 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 20 193.291 -12.380 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 193.138 -14.123 -2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 194.523 -14.964 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 193.831 -15.576 -3.740 1.00 0.00 H new ATOM 250 N GLY A 21 190.762 -7.451 -1.884 1.00 0.00 N ATOM 251 CA GLY A 21 189.521 -7.506 -1.138 1.00 0.00 C ATOM 252 C GLY A 21 188.937 -6.130 -0.884 1.00 0.00 C ATOM 253 O GLY A 21 189.436 -5.132 -1.403 1.00 0.00 O ATOM 0 H GLY A 21 191.182 -6.524 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.797 -8.109 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.695 -8.005 -0.185 1.00 0.00 H new ATOM 257 N LEU A 22 187.876 -6.077 -0.087 1.00 0.00 N ATOM 258 CA LEU A 22 187.223 -4.812 0.229 1.00 0.00 C ATOM 259 C LEU A 22 186.469 -4.905 1.551 1.00 0.00 C ATOM 260 O LEU A 22 185.795 -5.897 1.826 1.00 0.00 O ATOM 261 CB LEU A 22 186.267 -4.414 -0.901 1.00 0.00 C ATOM 262 CG LEU A 22 185.244 -3.327 -0.550 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.920 -2.149 0.138 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.511 -2.867 -1.801 1.00 0.00 C ATOM 0 H LEU A 22 187.450 -6.894 0.352 1.00 0.00 H new ATOM 0 HA LEU A 22 187.991 -4.045 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 22 186.859 -4.071 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.728 -5.304 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 22 184.517 -3.751 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.174 -1.391 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.399 -2.490 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.671 -1.722 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 183.788 -2.095 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 22 185.228 -2.462 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 183.990 -3.713 -2.250 1.00 0.00 H new ATOM 276 N ARG A 23 186.583 -3.860 2.363 1.00 0.00 N ATOM 277 CA ARG A 23 185.908 -3.813 3.654 1.00 0.00 C ATOM 278 C ARG A 23 185.220 -2.464 3.845 1.00 0.00 C ATOM 279 O ARG A 23 185.879 -1.449 4.069 1.00 0.00 O ATOM 280 CB ARG A 23 186.907 -4.060 4.786 1.00 0.00 C ATOM 281 CG ARG A 23 186.286 -3.999 6.173 1.00 0.00 C ATOM 282 CD ARG A 23 187.016 -3.011 7.072 1.00 0.00 C ATOM 283 NE ARG A 23 186.123 -2.402 8.055 1.00 0.00 N ATOM 284 CZ ARG A 23 185.744 -2.999 9.183 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.177 -4.219 9.475 1.00 0.00 N ATOM 286 NH2 ARG A 23 184.929 -2.373 10.022 1.00 0.00 N ATOM 0 H ARG A 23 187.138 -3.032 2.149 1.00 0.00 H new ATOM 0 HA ARG A 23 185.152 -4.598 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.367 -5.038 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.705 -3.321 4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 23 185.238 -3.711 6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.309 -4.990 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.828 -3.522 7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 23 187.468 -2.230 6.460 1.00 0.00 H new ATOM 0 HE ARG A 23 185.769 -1.464 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 23 186.804 -4.705 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 23 185.883 -4.671 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 23 184.593 -1.435 9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 23 184.638 -2.830 10.886 1.00 0.00 H new ATOM 300 N VAL A 24 183.894 -2.460 3.746 1.00 0.00 N ATOM 301 CA VAL A 24 183.122 -1.235 3.901 1.00 0.00 C ATOM 302 C VAL A 24 182.239 -1.287 5.142 1.00 0.00 C ATOM 303 O VAL A 24 181.874 -2.363 5.615 1.00 0.00 O ATOM 304 CB VAL A 24 182.233 -0.973 2.672 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.626 0.419 2.737 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.024 -1.157 1.386 1.00 0.00 C ATOM 0 H VAL A 24 183.334 -3.292 3.559 1.00 0.00 H new ATOM 0 HA VAL A 24 183.843 -0.424 4.005 1.00 0.00 H new ATOM 0 HB VAL A 24 181.421 -1.700 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 24 181.001 0.585 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 24 181.018 0.509 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.423 1.163 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.376 -0.967 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.861 -0.458 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.403 -2.178 1.335 1.00 0.00 H new ATOM 316 N SER A 25 181.892 -0.113 5.661 1.00 0.00 N ATOM 317 CA SER A 25 181.044 -0.017 6.844 1.00 0.00 C ATOM 318 C SER A 25 180.233 1.275 6.821 1.00 0.00 C ATOM 319 O SER A 25 180.707 2.306 6.349 1.00 0.00 O ATOM 320 CB SER A 25 181.890 -0.080 8.116 1.00 0.00 C ATOM 321 OG SER A 25 183.149 -0.676 7.864 1.00 0.00 O ATOM 0 H SER A 25 182.186 0.786 5.280 1.00 0.00 H new ATOM 0 HA SER A 25 180.355 -0.862 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 25 182.033 0.926 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.361 -0.650 8.880 1.00 0.00 H new ATOM 0 HG SER A 25 183.844 -0.195 8.360 1.00 0.00 H new ATOM 327 N ILE A 26 179.007 1.212 7.329 1.00 0.00 N ATOM 328 CA ILE A 26 178.135 2.386 7.356 1.00 0.00 C ATOM 329 C ILE A 26 177.380 2.496 8.681 1.00 0.00 C ATOM 330 O ILE A 26 176.716 1.547 9.103 1.00 0.00 O ATOM 331 CB ILE A 26 177.101 2.346 6.214 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.450 0.966 6.137 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.752 2.707 4.889 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.942 1.018 6.026 1.00 0.00 C ATOM 0 H ILE A 26 178.594 0.368 7.726 1.00 0.00 H new ATOM 0 HA ILE A 26 178.786 3.252 7.233 1.00 0.00 H new ATOM 0 HB ILE A 26 176.326 3.083 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.852 0.430 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.722 0.394 7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 26 177.005 2.673 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.170 3.712 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.548 1.996 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.546 0.004 5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.530 1.525 6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.662 1.562 5.124 1.00 0.00 H new ATOM 346 N PRO A 27 177.462 3.663 9.355 1.00 0.00 N ATOM 347 CA PRO A 27 176.769 3.884 10.627 1.00 0.00 C ATOM 348 C PRO A 27 175.262 3.693 10.489 1.00 0.00 C ATOM 349 O PRO A 27 174.535 4.617 10.127 1.00 0.00 O ATOM 350 CB PRO A 27 177.099 5.338 10.991 1.00 0.00 C ATOM 351 CG PRO A 27 177.627 5.962 9.742 1.00 0.00 C ATOM 352 CD PRO A 27 178.222 4.848 8.926 1.00 0.00 C ATOM 0 HA PRO A 27 177.086 3.174 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.212 5.863 11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 27 177.837 5.382 11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 27 176.830 6.463 9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.378 6.717 9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 27 178.111 5.030 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.288 4.733 9.121 1.00 0.00 H new ATOM 360 N ASP A 28 174.805 2.476 10.769 1.00 0.00 N ATOM 361 CA ASP A 28 173.389 2.138 10.668 1.00 0.00 C ATOM 362 C ASP A 28 172.534 3.024 11.568 1.00 0.00 C ATOM 363 O ASP A 28 173.026 3.632 12.517 1.00 0.00 O ATOM 364 CB ASP A 28 173.174 0.668 11.040 1.00 0.00 C ATOM 365 CG ASP A 28 171.713 0.258 10.989 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.986 0.762 10.108 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.298 -0.565 11.830 1.00 0.00 O ATOM 0 H ASP A 28 175.399 1.703 11.069 1.00 0.00 H new ATOM 0 HA ASP A 28 173.081 2.306 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.748 0.038 10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.562 0.491 12.043 1.00 0.00 H new ATOM 372 N ASP A 29 171.242 3.072 11.262 1.00 0.00 N ATOM 373 CA ASP A 29 170.291 3.858 12.035 1.00 0.00 C ATOM 374 C ASP A 29 168.943 3.152 12.074 1.00 0.00 C ATOM 375 O ASP A 29 167.892 3.770 11.895 1.00 0.00 O ATOM 376 CB ASP A 29 170.138 5.259 11.438 1.00 0.00 C ATOM 377 CG ASP A 29 169.852 6.308 12.495 1.00 0.00 C ATOM 378 OD1 ASP A 29 170.267 6.111 13.656 1.00 0.00 O ATOM 379 OD2 ASP A 29 169.211 7.328 12.161 1.00 0.00 O ATOM 0 H ASP A 29 170.828 2.570 10.476 1.00 0.00 H new ATOM 0 HA ASP A 29 170.669 3.958 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 29 171.050 5.525 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.330 5.253 10.707 1.00 0.00 H new ATOM 384 N GLY A 30 168.986 1.845 12.312 1.00 0.00 N ATOM 385 CA GLY A 30 167.780 1.055 12.377 1.00 0.00 C ATOM 386 C GLY A 30 167.113 0.882 11.027 1.00 0.00 C ATOM 387 O GLY A 30 165.894 1.003 10.910 1.00 0.00 O ATOM 0 H GLY A 30 169.847 1.319 12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 168.017 0.074 12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 30 167.079 1.528 13.065 1.00 0.00 H new ATOM 391 N PHE A 31 167.911 0.595 10.005 1.00 0.00 N ATOM 392 CA PHE A 31 167.385 0.402 8.659 1.00 0.00 C ATOM 393 C PHE A 31 166.985 -1.046 8.427 1.00 0.00 C ATOM 394 O PHE A 31 166.966 -1.863 9.348 1.00 0.00 O ATOM 395 CB PHE A 31 168.419 0.807 7.606 1.00 0.00 C ATOM 396 CG PHE A 31 169.076 2.125 7.888 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.316 3.245 8.175 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.457 2.244 7.868 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.918 4.460 8.436 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.065 3.456 8.128 1.00 0.00 C ATOM 401 CZ PHE A 31 170.294 4.565 8.413 1.00 0.00 C ATOM 0 H PHE A 31 168.923 0.491 10.082 1.00 0.00 H new ATOM 0 HA PHE A 31 166.503 1.036 8.565 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.185 0.034 7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.934 0.853 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.239 3.168 8.195 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.064 1.379 7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.313 5.327 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.142 3.536 8.108 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.767 5.514 8.618 1.00 0.00 H new ATOM 411 N SER A 32 166.676 -1.346 7.176 1.00 0.00 N ATOM 412 CA SER A 32 166.284 -2.682 6.773 1.00 0.00 C ATOM 413 C SER A 32 167.059 -3.114 5.537 1.00 0.00 C ATOM 414 O SER A 32 167.308 -4.304 5.346 1.00 0.00 O ATOM 415 CB SER A 32 164.780 -2.742 6.501 1.00 0.00 C ATOM 416 OG SER A 32 164.270 -1.464 6.161 1.00 0.00 O ATOM 0 H SER A 32 166.691 -0.669 6.413 1.00 0.00 H new ATOM 0 HA SER A 32 166.517 -3.367 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.582 -3.443 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.263 -3.120 7.383 1.00 0.00 H new ATOM 0 HG SER A 32 164.937 -0.975 5.636 1.00 0.00 H new ATOM 422 N LEU A 33 167.458 -2.153 4.697 1.00 0.00 N ATOM 423 CA LEU A 33 168.220 -2.505 3.498 1.00 0.00 C ATOM 424 C LEU A 33 169.363 -1.538 3.241 1.00 0.00 C ATOM 425 O LEU A 33 169.191 -0.327 3.315 1.00 0.00 O ATOM 426 CB LEU A 33 167.330 -2.547 2.257 1.00 0.00 C ATOM 427 CG LEU A 33 167.876 -3.412 1.119 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.665 -4.888 1.411 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.234 -3.028 -0.206 1.00 0.00 C ATOM 0 H LEU A 33 167.273 -1.157 4.819 1.00 0.00 H new ATOM 0 HA LEU A 33 168.630 -3.497 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.347 -2.921 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.190 -1.530 1.890 1.00 0.00 H new ATOM 0 HG LEU A 33 168.948 -3.232 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.061 -5.482 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.183 -5.154 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.599 -5.088 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.637 -3.656 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.155 -3.171 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.449 -1.982 -0.425 1.00 0.00 H new ATOM 441 N PHE A 34 170.522 -2.096 2.916 1.00 0.00 N ATOM 442 CA PHE A 34 171.705 -1.307 2.613 1.00 0.00 C ATOM 443 C PHE A 34 172.258 -1.698 1.244 1.00 0.00 C ATOM 444 O PHE A 34 172.967 -2.696 1.115 1.00 0.00 O ATOM 445 CB PHE A 34 172.769 -1.517 3.683 1.00 0.00 C ATOM 446 CG PHE A 34 174.055 -0.792 3.401 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.064 0.578 3.198 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.254 -1.484 3.334 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.245 1.245 2.932 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.437 -0.821 3.071 1.00 0.00 C ATOM 451 CZ PHE A 34 176.432 0.544 2.869 1.00 0.00 C ATOM 0 H PHE A 34 170.667 -3.104 2.856 1.00 0.00 H new ATOM 0 HA PHE A 34 171.427 -0.253 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.377 -1.184 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.975 -2.583 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.138 1.131 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.263 -2.553 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.239 2.313 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.365 -1.371 3.024 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.356 1.063 2.662 1.00 0.00 H new ATOM 461 N ALA A 35 171.928 -0.913 0.224 1.00 0.00 N ATOM 462 CA ALA A 35 172.391 -1.188 -1.132 1.00 0.00 C ATOM 463 C ALA A 35 173.686 -0.443 -1.430 1.00 0.00 C ATOM 464 O ALA A 35 173.766 0.773 -1.265 1.00 0.00 O ATOM 465 CB ALA A 35 171.316 -0.810 -2.140 1.00 0.00 C ATOM 0 H ALA A 35 171.342 -0.082 0.310 1.00 0.00 H new ATOM 0 HA ALA A 35 172.592 -2.256 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.673 -1.020 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.415 -1.391 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.089 0.252 -2.049 1.00 0.00 H new ATOM 471 N PHE A 36 174.700 -1.180 -1.868 1.00 0.00 N ATOM 472 CA PHE A 36 175.992 -0.584 -2.186 1.00 0.00 C ATOM 473 C PHE A 36 176.315 -0.729 -3.669 1.00 0.00 C ATOM 474 O PHE A 36 176.347 -1.837 -4.199 1.00 0.00 O ATOM 475 CB PHE A 36 177.094 -1.233 -1.348 1.00 0.00 C ATOM 476 CG PHE A 36 178.395 -0.482 -1.379 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.255 -0.604 -2.459 1.00 0.00 C ATOM 478 CD2 PHE A 36 178.756 0.346 -0.329 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.453 0.086 -2.489 1.00 0.00 C ATOM 480 CE2 PHE A 36 179.952 1.038 -0.354 1.00 0.00 C ATOM 481 CZ PHE A 36 180.801 0.908 -1.436 1.00 0.00 C ATOM 0 H PHE A 36 174.653 -2.189 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 36 175.939 0.479 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.754 -1.312 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.262 -2.248 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 36 178.987 -1.245 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.095 0.452 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.116 -0.018 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.223 1.680 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.736 1.449 -1.458 1.00 0.00 H new ATOM 491 N HIS A 37 176.555 0.402 -4.326 1.00 0.00 N ATOM 492 CA HIS A 37 176.885 0.435 -5.736 1.00 0.00 C ATOM 493 C HIS A 37 178.174 1.227 -5.917 1.00 0.00 C ATOM 494 O HIS A 37 178.228 2.392 -5.530 1.00 0.00 O ATOM 495 CB HIS A 37 175.754 1.113 -6.492 1.00 0.00 C ATOM 496 CG HIS A 37 175.050 0.219 -7.464 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.611 0.639 -8.703 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.688 -1.084 -7.364 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.011 -0.363 -9.319 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.044 -1.419 -8.528 1.00 0.00 N ATOM 0 H HIS A 37 176.524 1.323 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 37 177.020 -0.576 -6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.028 1.495 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.154 1.973 -7.029 1.00 0.00 H new ATOM 0 HD1 HIS A 37 174.731 1.578 -9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.872 -1.737 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS A 37 173.568 -0.325 -10.303 1.00 0.00 H new ATOM 509 N GLY A 38 179.218 0.616 -6.477 1.00 0.00 N ATOM 510 CA GLY A 38 180.460 1.357 -6.626 1.00 0.00 C ATOM 511 C GLY A 38 181.325 0.918 -7.786 1.00 0.00 C ATOM 512 O GLY A 38 181.544 -0.273 -7.996 1.00 0.00 O ATOM 0 H GLY A 38 179.229 -0.345 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.224 2.414 -6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.036 1.262 -5.705 1.00 0.00 H new ATOM 516 N LYS A 39 181.836 1.900 -8.520 1.00 0.00 N ATOM 517 CA LYS A 39 182.709 1.644 -9.657 1.00 0.00 C ATOM 518 C LYS A 39 184.152 1.988 -9.299 1.00 0.00 C ATOM 519 O LYS A 39 184.406 2.899 -8.505 1.00 0.00 O ATOM 520 CB LYS A 39 182.259 2.463 -10.868 1.00 0.00 C ATOM 521 CG LYS A 39 182.985 2.100 -12.153 1.00 0.00 C ATOM 522 CD LYS A 39 182.835 0.624 -12.481 1.00 0.00 C ATOM 523 CE LYS A 39 183.458 0.285 -13.825 1.00 0.00 C ATOM 524 NZ LYS A 39 184.070 -1.072 -13.829 1.00 0.00 N ATOM 0 H LYS A 39 181.658 2.889 -8.345 1.00 0.00 H new ATOM 0 HA LYS A 39 182.650 0.585 -9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.188 2.322 -11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.416 3.521 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 39 182.592 2.698 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 184.042 2.346 -12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 183.306 0.027 -11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 39 181.778 0.358 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 39 182.696 0.341 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 39 184.219 1.027 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 183.816 -1.565 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 185.105 -0.986 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 183.718 -1.614 -13.014 1.00 0.00 H new ATOM 538 N LEU A 40 185.093 1.254 -9.881 1.00 0.00 N ATOM 539 CA LEU A 40 186.509 1.481 -9.615 1.00 0.00 C ATOM 540 C LEU A 40 187.143 2.353 -10.696 1.00 0.00 C ATOM 541 O LEU A 40 187.072 2.038 -11.884 1.00 0.00 O ATOM 542 CB LEU A 40 187.248 0.145 -9.520 1.00 0.00 C ATOM 543 CG LEU A 40 188.733 0.249 -9.166 1.00 0.00 C ATOM 544 CD1 LEU A 40 188.909 0.784 -7.754 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.412 -1.105 -9.314 1.00 0.00 C ATOM 0 H LEU A 40 184.902 0.498 -10.539 1.00 0.00 H new ATOM 0 HA LEU A 40 186.592 2.007 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.754 -0.473 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.153 -0.374 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 40 189.204 0.947 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.971 0.851 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.458 1.774 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.424 0.111 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.468 -1.013 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 40 188.938 -1.824 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.317 -1.449 -10.344 1.00 0.00 H new ATOM 557 N ASN A 41 187.768 3.447 -10.271 1.00 0.00 N ATOM 558 CA ASN A 41 188.423 4.369 -11.196 1.00 0.00 C ATOM 559 C ASN A 41 187.442 4.887 -12.248 1.00 0.00 C ATOM 560 O ASN A 41 187.663 4.729 -13.448 1.00 0.00 O ATOM 561 CB ASN A 41 189.607 3.683 -11.877 1.00 0.00 C ATOM 562 CG ASN A 41 190.608 4.675 -12.437 1.00 0.00 C ATOM 563 OD1 ASN A 41 190.378 5.114 -13.670 1.00 0.00 O flip ATOM 564 ND2 ASN A 41 191.574 5.043 -11.771 1.00 0.00 N flip ATOM 0 H ASN A 41 187.835 3.718 -9.290 1.00 0.00 H new ATOM 0 HA ASN A 41 188.785 5.221 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 41 190.107 3.032 -11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.240 3.047 -12.683 1.00 0.00 H new ATOM 0 HD21 ASN A 41 191.711 4.680 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 41 192.238 5.712 -12.162 1.00 0.00 H new ATOM 571 N GLU A 42 186.362 5.512 -11.783 1.00 0.00 N ATOM 572 CA GLU A 42 185.345 6.067 -12.665 1.00 0.00 C ATOM 573 C GLU A 42 184.176 6.598 -11.848 1.00 0.00 C ATOM 574 O GLU A 42 183.418 5.833 -11.250 1.00 0.00 O ATOM 575 CB GLU A 42 184.840 5.023 -13.661 1.00 0.00 C ATOM 576 CG GLU A 42 183.777 5.568 -14.599 1.00 0.00 C ATOM 577 CD GLU A 42 183.288 4.534 -15.593 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.004 3.533 -15.808 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.191 4.726 -16.158 1.00 0.00 O ATOM 0 H GLU A 42 186.171 5.646 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 42 185.801 6.883 -13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.680 4.652 -14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.433 4.173 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.932 5.930 -14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.180 6.424 -15.140 1.00 0.00 H new ATOM 586 N GLU A 43 184.044 7.915 -11.821 1.00 0.00 N ATOM 587 CA GLU A 43 182.977 8.567 -11.072 1.00 0.00 C ATOM 588 C GLU A 43 181.612 8.015 -11.440 1.00 0.00 C ATOM 589 O GLU A 43 181.477 7.171 -12.325 1.00 0.00 O ATOM 590 CB GLU A 43 182.985 10.073 -11.313 1.00 0.00 C ATOM 591 CG GLU A 43 184.330 10.710 -11.054 1.00 0.00 C ATOM 592 CD GLU A 43 184.370 12.178 -11.429 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.287 12.787 -11.563 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.483 12.721 -11.587 1.00 0.00 O ATOM 0 H GLU A 43 184.666 8.558 -12.312 1.00 0.00 H new ATOM 0 HA GLU A 43 183.164 8.364 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.689 10.271 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.239 10.541 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.580 10.603 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.094 10.175 -11.618 1.00 0.00 H new ATOM 656 N GLU A 48 174.344 3.769 -11.689 1.00 0.00 N ATOM 657 CA GLU A 48 175.009 2.862 -12.615 1.00 0.00 C ATOM 658 C GLU A 48 175.468 1.594 -11.903 1.00 0.00 C ATOM 659 O GLU A 48 175.846 1.630 -10.732 1.00 0.00 O ATOM 660 CB GLU A 48 176.205 3.557 -13.270 1.00 0.00 C ATOM 661 CG GLU A 48 177.283 3.973 -12.284 1.00 0.00 C ATOM 662 CD GLU A 48 177.925 5.298 -12.646 1.00 0.00 C ATOM 663 OE1 GLU A 48 177.224 6.330 -12.598 1.00 0.00 O ATOM 664 OE2 GLU A 48 179.130 5.302 -12.975 1.00 0.00 O ATOM 0 HA GLU A 48 174.293 2.581 -13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.642 2.888 -14.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 175.853 4.439 -13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 48 176.850 4.044 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 48 178.051 3.200 -12.244 1.00 0.00 H new ATOM 671 N ALA A 49 175.425 0.475 -12.617 1.00 0.00 N ATOM 672 CA ALA A 49 175.828 -0.812 -12.062 1.00 0.00 C ATOM 673 C ALA A 49 177.200 -0.740 -11.394 1.00 0.00 C ATOM 674 O ALA A 49 177.505 -1.530 -10.501 1.00 0.00 O ATOM 675 CB ALA A 49 175.829 -1.875 -13.152 1.00 0.00 C ATOM 0 H ALA A 49 175.113 0.433 -13.587 1.00 0.00 H new ATOM 0 HA ALA A 49 175.103 -1.082 -11.294 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.131 -2.832 -12.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.828 -1.965 -13.573 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.529 -1.590 -13.938 1.00 0.00 H new ATOM 681 N GLY A 50 178.025 0.208 -11.835 1.00 0.00 N ATOM 682 CA GLY A 50 179.356 0.360 -11.272 1.00 0.00 C ATOM 683 C GLY A 50 180.089 -0.963 -11.152 1.00 0.00 C ATOM 684 O GLY A 50 180.349 -1.631 -12.152 1.00 0.00 O ATOM 0 H GLY A 50 177.795 0.874 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.937 1.038 -11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.280 0.821 -10.287 1.00 0.00 H new ATOM 688 N HIS A 51 180.414 -1.340 -9.923 1.00 0.00 N ATOM 689 CA HIS A 51 181.110 -2.594 -9.666 1.00 0.00 C ATOM 690 C HIS A 51 180.512 -3.299 -8.457 1.00 0.00 C ATOM 691 O HIS A 51 179.790 -4.286 -8.597 1.00 0.00 O ATOM 692 CB HIS A 51 182.605 -2.347 -9.451 1.00 0.00 C ATOM 693 CG HIS A 51 183.483 -3.287 -10.219 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.532 -3.315 -11.597 1.00 0.00 N ATOM 695 CD2 HIS A 51 184.353 -4.235 -9.795 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.391 -4.239 -11.987 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.904 -4.810 -10.912 1.00 0.00 N ATOM 0 H HIS A 51 180.206 -0.794 -9.087 1.00 0.00 H new ATOM 0 HA HIS A 51 180.988 -3.236 -10.538 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.841 -1.323 -9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.831 -2.438 -8.389 1.00 0.00 H new ATOM 0 HD2 HIS A 51 184.572 -4.490 -8.769 1.00 0.00 H new ATOM 0 HE1 HIS A 51 184.633 -4.486 -13.010 1.00 0.00 H new ATOM 0 HE2 HIS A 51 185.598 -5.558 -10.912 1.00 0.00 H new ATOM 706 N TRP A 52 180.800 -2.779 -7.269 1.00 0.00 N ATOM 707 CA TRP A 52 180.272 -3.357 -6.044 1.00 0.00 C ATOM 708 C TRP A 52 178.774 -3.107 -5.958 1.00 0.00 C ATOM 709 O TRP A 52 178.339 -2.085 -5.436 1.00 0.00 O ATOM 710 CB TRP A 52 180.980 -2.762 -4.828 1.00 0.00 C ATOM 711 CG TRP A 52 182.431 -3.122 -4.768 1.00 0.00 C ATOM 712 CD1 TRP A 52 182.960 -4.327 -4.414 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.540 -2.270 -5.081 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.329 -4.280 -4.483 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.711 -3.027 -4.890 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.658 -0.943 -5.502 1.00 0.00 C ATOM 717 CZ2 TRP A 52 185.983 -2.500 -5.106 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.920 -0.421 -5.717 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.067 -1.199 -5.519 1.00 0.00 C ATOM 0 H TRP A 52 181.394 -1.961 -7.131 1.00 0.00 H new ATOM 0 HA TRP A 52 180.451 -4.432 -6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.880 -1.677 -4.850 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.486 -3.109 -3.920 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.385 -5.193 -4.122 1.00 0.00 H new ATOM 0 HE1 TRP A 52 184.960 -5.051 -4.267 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.779 -0.336 -5.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.870 -3.097 -4.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.023 0.603 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.039 -0.762 -5.696 1.00 0.00 H new ATOM 730 N ALA A 53 177.996 -4.045 -6.494 1.00 0.00 N ATOM 731 CA ALA A 53 176.541 -3.941 -6.496 1.00 0.00 C ATOM 732 C ALA A 53 175.908 -5.085 -5.717 1.00 0.00 C ATOM 733 O ALA A 53 175.623 -6.143 -6.281 1.00 0.00 O ATOM 734 CB ALA A 53 176.017 -3.918 -7.925 1.00 0.00 C ATOM 0 H ALA A 53 178.354 -4.892 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 53 176.267 -3.008 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.930 -3.840 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.436 -3.061 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.309 -4.836 -8.435 1.00 0.00 H new ATOM 740 N ARG A 54 175.701 -4.885 -4.422 1.00 0.00 N ATOM 741 CA ARG A 54 175.118 -5.923 -3.586 1.00 0.00 C ATOM 742 C ARG A 54 174.218 -5.343 -2.496 1.00 0.00 C ATOM 743 O ARG A 54 174.614 -4.433 -1.766 1.00 0.00 O ATOM 744 CB ARG A 54 176.240 -6.744 -2.964 1.00 0.00 C ATOM 745 CG ARG A 54 175.756 -7.980 -2.220 1.00 0.00 C ATOM 746 CD ARG A 54 176.433 -8.117 -0.865 1.00 0.00 C ATOM 747 NE ARG A 54 177.530 -9.082 -0.897 1.00 0.00 N ATOM 748 CZ ARG A 54 178.024 -9.679 0.186 1.00 0.00 C ATOM 749 NH1 ARG A 54 177.524 -9.416 1.386 1.00 0.00 N ATOM 750 NH2 ARG A 54 179.022 -10.546 0.068 1.00 0.00 N ATOM 0 H ARG A 54 175.927 -4.020 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 54 174.490 -6.557 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 54 176.931 -7.051 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.801 -6.113 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 54 174.676 -7.924 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.956 -8.868 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 54 176.814 -7.145 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 54 175.698 -8.428 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 54 177.941 -9.312 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 54 176.756 -8.752 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 54 177.908 -9.877 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 54 179.410 -10.755 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 54 179.401 -11.004 0.897 1.00 0.00 H new ATOM 764 N ASP A 55 173.008 -5.887 -2.390 1.00 0.00 N ATOM 765 CA ASP A 55 172.040 -5.448 -1.391 1.00 0.00 C ATOM 766 C ASP A 55 172.194 -6.254 -0.106 1.00 0.00 C ATOM 767 O ASP A 55 172.116 -7.482 -0.122 1.00 0.00 O ATOM 768 CB ASP A 55 170.620 -5.603 -1.937 1.00 0.00 C ATOM 769 CG ASP A 55 170.389 -6.951 -2.592 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.861 -7.146 -3.731 1.00 0.00 O ATOM 771 OD2 ASP A 55 169.735 -7.811 -1.966 1.00 0.00 O ATOM 0 H ASP A 55 172.673 -6.640 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 55 172.225 -4.398 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.906 -5.472 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.426 -4.813 -2.662 1.00 0.00 H new ATOM 776 N ILE A 56 172.414 -5.560 1.006 1.00 0.00 N ATOM 777 CA ILE A 56 172.580 -6.222 2.295 1.00 0.00 C ATOM 778 C ILE A 56 171.313 -6.117 3.137 1.00 0.00 C ATOM 779 O ILE A 56 170.622 -5.099 3.112 1.00 0.00 O ATOM 780 CB ILE A 56 173.761 -5.629 3.088 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.970 -5.422 2.175 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.122 -6.538 4.255 1.00 0.00 C ATOM 783 CD1 ILE A 56 176.159 -4.799 2.876 1.00 0.00 C ATOM 0 H ILE A 56 172.481 -4.543 1.041 1.00 0.00 H new ATOM 0 HA ILE A 56 172.786 -7.271 2.083 1.00 0.00 H new ATOM 0 HB ILE A 56 173.461 -4.659 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.268 -6.384 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.679 -4.787 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.958 -6.107 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.262 -6.638 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.405 -7.521 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.979 -4.682 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.878 -3.822 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.477 -5.443 3.696 1.00 0.00 H new ATOM 795 N THR A 57 171.014 -7.178 3.880 1.00 0.00 N ATOM 796 CA THR A 57 169.829 -7.206 4.731 1.00 0.00 C ATOM 797 C THR A 57 170.164 -7.751 6.116 1.00 0.00 C ATOM 798 O THR A 57 169.352 -8.435 6.739 1.00 0.00 O ATOM 799 CB THR A 57 168.734 -8.060 4.090 1.00 0.00 C ATOM 800 OG1 THR A 57 169.053 -9.436 4.179 1.00 0.00 O ATOM 801 CG2 THR A 57 168.500 -7.737 2.630 1.00 0.00 C ATOM 0 H THR A 57 171.575 -8.029 3.910 1.00 0.00 H new ATOM 0 HA THR A 57 169.469 -6.183 4.839 1.00 0.00 H new ATOM 0 HB THR A 57 167.826 -7.829 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.339 -9.965 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.711 -8.379 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 57 168.201 -6.693 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.419 -7.906 2.068 1.00 0.00 H new ATOM 809 N LYS A 58 171.368 -7.448 6.591 1.00 0.00 N ATOM 810 CA LYS A 58 171.811 -7.909 7.901 1.00 0.00 C ATOM 811 C LYS A 58 172.975 -7.060 8.412 1.00 0.00 C ATOM 812 O LYS A 58 174.137 -7.354 8.131 1.00 0.00 O ATOM 813 CB LYS A 58 172.225 -9.381 7.831 1.00 0.00 C ATOM 814 CG LYS A 58 171.245 -10.320 8.517 1.00 0.00 C ATOM 815 CD LYS A 58 171.161 -10.043 10.009 1.00 0.00 C ATOM 816 CE LYS A 58 172.494 -10.289 10.698 1.00 0.00 C ATOM 817 NZ LYS A 58 172.986 -11.677 10.477 1.00 0.00 N ATOM 0 H LYS A 58 172.054 -6.885 6.088 1.00 0.00 H new ATOM 0 HA LYS A 58 170.979 -7.806 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 58 172.324 -9.673 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 58 173.207 -9.496 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 58 170.258 -10.208 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 58 171.554 -11.353 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 58 170.851 -9.011 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 58 170.397 -10.679 10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 58 173.232 -9.579 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 58 172.389 -10.107 11.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 173.747 -11.887 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 172.204 -12.349 10.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 173.350 -11.766 9.507 1.00 0.00 H new ATOM 831 N PRO A 59 172.676 -5.994 9.174 1.00 0.00 N ATOM 832 CA PRO A 59 173.704 -5.102 9.723 1.00 0.00 C ATOM 833 C PRO A 59 174.739 -5.849 10.553 1.00 0.00 C ATOM 834 O PRO A 59 174.566 -7.024 10.876 1.00 0.00 O ATOM 835 CB PRO A 59 172.914 -4.143 10.618 1.00 0.00 C ATOM 836 CG PRO A 59 171.523 -4.179 10.089 1.00 0.00 C ATOM 837 CD PRO A 59 171.317 -5.571 9.557 1.00 0.00 C ATOM 0 HA PRO A 59 174.266 -4.607 8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.948 -4.458 11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.326 -3.135 10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.801 -3.950 10.873 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.385 -3.437 9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.889 -6.230 10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.638 -5.579 8.704 1.00 0.00 H new ATOM 845 N LYS A 60 175.808 -5.147 10.909 1.00 0.00 N ATOM 846 CA LYS A 60 176.870 -5.727 11.724 1.00 0.00 C ATOM 847 C LYS A 60 176.820 -5.147 13.131 1.00 0.00 C ATOM 848 O LYS A 60 177.849 -4.950 13.776 1.00 0.00 O ATOM 849 CB LYS A 60 178.240 -5.469 11.090 1.00 0.00 C ATOM 850 CG LYS A 60 179.161 -6.677 11.117 1.00 0.00 C ATOM 851 CD LYS A 60 180.082 -6.651 12.329 1.00 0.00 C ATOM 852 CE LYS A 60 180.137 -8.004 13.019 1.00 0.00 C ATOM 853 NZ LYS A 60 181.404 -8.728 12.723 1.00 0.00 N ATOM 0 H LYS A 60 175.963 -4.174 10.646 1.00 0.00 H new ATOM 0 HA LYS A 60 176.718 -6.805 11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 60 178.099 -5.154 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.723 -4.643 11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.565 -7.590 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 179.758 -6.701 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 60 181.085 -6.359 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.735 -5.896 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 60 180.041 -7.866 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 60 179.289 -8.610 12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 181.402 -9.646 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 181.484 -8.882 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 182.212 -8.162 13.052 1.00 0.00 H new ATOM 867 N GLU A 61 175.601 -4.874 13.593 1.00 0.00 N ATOM 868 CA GLU A 61 175.370 -4.311 14.921 1.00 0.00 C ATOM 869 C GLU A 61 175.593 -2.810 14.928 1.00 0.00 C ATOM 870 O GLU A 61 176.692 -2.329 15.207 1.00 0.00 O ATOM 871 CB GLU A 61 176.254 -4.989 15.974 1.00 0.00 C ATOM 872 CG GLU A 61 175.487 -5.456 17.202 1.00 0.00 C ATOM 873 CD GLU A 61 175.538 -6.961 17.387 1.00 0.00 C ATOM 874 OE1 GLU A 61 175.296 -7.688 16.401 1.00 0.00 O ATOM 875 OE2 GLU A 61 175.820 -7.410 18.517 1.00 0.00 O ATOM 0 H GLU A 61 174.748 -5.037 13.058 1.00 0.00 H new ATOM 0 HA GLU A 61 174.328 -4.502 15.178 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.754 -5.845 15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 61 177.033 -4.293 16.285 1.00 0.00 H new ATOM 0 HG2 GLU A 61 175.897 -4.971 18.088 1.00 0.00 H new ATOM 0 HG3 GLU A 61 174.447 -5.139 17.118 1.00 0.00 H new ATOM 882 N GLY A 62 174.536 -2.074 14.600 1.00 0.00 N ATOM 883 CA GLY A 62 174.622 -0.634 14.553 1.00 0.00 C ATOM 884 C GLY A 62 175.441 -0.160 13.373 1.00 0.00 C ATOM 885 O GLY A 62 175.592 1.042 13.158 1.00 0.00 O ATOM 0 H GLY A 62 173.619 -2.455 14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.619 -0.211 14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.068 -0.266 15.477 1.00 0.00 H new ATOM 889 N ARG A 63 175.973 -1.110 12.602 1.00 0.00 N ATOM 890 CA ARG A 63 176.782 -0.769 11.437 1.00 0.00 C ATOM 891 C ARG A 63 176.809 -1.909 10.426 1.00 0.00 C ATOM 892 O ARG A 63 177.183 -3.028 10.766 1.00 0.00 O ATOM 893 CB ARG A 63 178.215 -0.438 11.867 1.00 0.00 C ATOM 894 CG ARG A 63 178.430 1.027 12.214 1.00 0.00 C ATOM 895 CD ARG A 63 179.395 1.702 11.249 1.00 0.00 C ATOM 896 NE ARG A 63 180.633 2.114 11.908 1.00 0.00 N ATOM 897 CZ ARG A 63 181.674 1.306 12.107 1.00 0.00 C ATOM 898 NH1 ARG A 63 181.628 0.041 11.708 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.762 1.766 12.710 1.00 0.00 N ATOM 0 H ARG A 63 175.859 -2.111 12.763 1.00 0.00 H new ATOM 0 HA ARG A 63 176.329 0.102 10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.475 -1.048 12.732 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.898 -0.715 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 63 177.473 1.549 12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 63 178.817 1.107 13.230 1.00 0.00 H new ATOM 0 HD2 ARG A 63 179.629 1.018 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 63 178.913 2.574 10.806 1.00 0.00 H new ATOM 0 HE ARG A 63 180.704 3.077 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 63 180.792 -0.318 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 63 182.428 -0.572 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 182.801 2.737 13.021 1.00 0.00 H new ATOM 0 HH22 ARG A 63 183.560 1.149 12.863 1.00 0.00 H new ATOM 913 N TRP A 64 176.442 -1.627 9.178 1.00 0.00 N ATOM 914 CA TRP A 64 176.466 -2.649 8.149 1.00 0.00 C ATOM 915 C TRP A 64 177.896 -2.874 7.682 1.00 0.00 C ATOM 916 O TRP A 64 178.752 -1.997 7.821 1.00 0.00 O ATOM 917 CB TRP A 64 175.602 -2.263 6.954 1.00 0.00 C ATOM 918 CG TRP A 64 174.187 -1.904 7.300 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.767 -0.837 8.039 1.00 0.00 C ATOM 920 CD2 TRP A 64 173.004 -2.612 6.908 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.396 -0.841 8.132 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.906 -1.918 7.446 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.766 -3.766 6.155 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.590 -2.339 7.255 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.460 -4.183 5.967 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.386 -3.468 6.515 1.00 0.00 C ATOM 0 H TRP A 64 176.129 -0.709 8.863 1.00 0.00 H new ATOM 0 HA TRP A 64 176.062 -3.565 8.581 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.064 -1.417 6.446 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.591 -3.092 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.416 -0.098 8.485 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.834 -0.152 8.632 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.587 -4.322 5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.761 -1.791 7.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.265 -5.074 5.389 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.378 -3.817 6.349 1.00 0.00 H new ATOM 937 N THR A 65 178.144 -4.053 7.133 1.00 0.00 N ATOM 938 CA THR A 65 179.471 -4.407 6.645 1.00 0.00 C ATOM 939 C THR A 65 179.402 -5.061 5.271 1.00 0.00 C ATOM 940 O THR A 65 178.798 -6.122 5.106 1.00 0.00 O ATOM 941 CB THR A 65 180.163 -5.346 7.634 1.00 0.00 C ATOM 942 OG1 THR A 65 180.078 -4.837 8.952 1.00 0.00 O ATOM 943 CG2 THR A 65 181.628 -5.569 7.322 1.00 0.00 C ATOM 0 H THR A 65 177.443 -4.784 7.013 1.00 0.00 H new ATOM 0 HA THR A 65 180.049 -3.487 6.554 1.00 0.00 H new ATOM 0 HB THR A 65 179.639 -6.298 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.927 -4.990 9.417 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.059 -6.244 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.726 -6.008 6.329 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.155 -4.615 7.351 1.00 0.00 H new ATOM 951 N PHE A 66 180.034 -4.429 4.288 1.00 0.00 N ATOM 952 CA PHE A 66 180.058 -4.957 2.930 1.00 0.00 C ATOM 953 C PHE A 66 181.466 -5.420 2.563 1.00 0.00 C ATOM 954 O PHE A 66 182.288 -4.631 2.099 1.00 0.00 O ATOM 955 CB PHE A 66 179.570 -3.897 1.934 1.00 0.00 C ATOM 956 CG PHE A 66 179.850 -4.242 0.496 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.075 -5.176 -0.170 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.893 -3.633 -0.185 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.333 -5.496 -1.490 1.00 0.00 C ATOM 960 CE2 PHE A 66 181.156 -3.950 -1.503 1.00 0.00 C ATOM 961 CZ PHE A 66 180.375 -4.882 -2.157 1.00 0.00 C ATOM 0 H PHE A 66 180.537 -3.550 4.407 1.00 0.00 H new ATOM 0 HA PHE A 66 179.386 -5.814 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.497 -3.758 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 66 180.045 -2.945 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.260 -5.660 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 66 181.507 -2.902 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 66 178.720 -6.225 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 66 181.972 -3.469 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.578 -5.130 -3.188 1.00 0.00 H new ATOM 971 N ARG A 67 181.738 -6.702 2.781 1.00 0.00 N ATOM 972 CA ARG A 67 183.048 -7.267 2.479 1.00 0.00 C ATOM 973 C ARG A 67 183.068 -7.899 1.089 1.00 0.00 C ATOM 974 O ARG A 67 182.109 -8.555 0.680 1.00 0.00 O ATOM 975 CB ARG A 67 183.435 -8.307 3.534 1.00 0.00 C ATOM 976 CG ARG A 67 184.677 -7.935 4.327 1.00 0.00 C ATOM 977 CD ARG A 67 185.172 -9.099 5.171 1.00 0.00 C ATOM 978 NE ARG A 67 185.659 -10.205 4.350 1.00 0.00 N ATOM 979 CZ ARG A 67 184.895 -11.211 3.926 1.00 0.00 C ATOM 980 NH1 ARG A 67 183.605 -11.256 4.235 1.00 0.00 N ATOM 981 NH2 ARG A 67 185.425 -12.176 3.186 1.00 0.00 N ATOM 0 H ARG A 67 181.069 -7.369 3.166 1.00 0.00 H new ATOM 0 HA ARG A 67 183.775 -6.455 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.601 -8.442 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 183.601 -9.266 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.465 -7.620 3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.456 -7.085 4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 67 185.972 -8.756 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 67 184.363 -9.452 5.811 1.00 0.00 H new ATOM 0 HE ARG A 67 186.644 -10.207 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 183.190 -10.516 4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 67 183.028 -12.030 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 67 186.415 -12.147 2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 67 184.842 -12.947 2.860 1.00 0.00 H new ATOM 995 N ASP A 68 184.168 -7.699 0.372 1.00 0.00 N ATOM 996 CA ASP A 68 184.321 -8.248 -0.970 1.00 0.00 C ATOM 997 C ASP A 68 185.726 -8.808 -1.167 1.00 0.00 C ATOM 998 O ASP A 68 186.689 -8.054 -1.304 1.00 0.00 O ATOM 999 CB ASP A 68 184.033 -7.175 -2.020 1.00 0.00 C ATOM 1000 CG ASP A 68 183.257 -7.717 -3.204 1.00 0.00 C ATOM 1001 OD1 ASP A 68 183.806 -8.567 -3.935 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.098 -7.293 -3.399 1.00 0.00 O ATOM 0 H ASP A 68 184.969 -7.159 0.699 1.00 0.00 H new ATOM 0 HA ASP A 68 183.604 -9.060 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.469 -6.363 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.974 -6.751 -2.370 1.00 0.00 H new ATOM 1007 N ARG A 69 185.836 -10.133 -1.175 1.00 0.00 N ATOM 1008 CA ARG A 69 187.125 -10.799 -1.352 1.00 0.00 C ATOM 1009 C ARG A 69 187.434 -11.047 -2.828 1.00 0.00 C ATOM 1010 O ARG A 69 188.225 -11.930 -3.161 1.00 0.00 O ATOM 1011 CB ARG A 69 187.141 -12.126 -0.590 1.00 0.00 C ATOM 1012 CG ARG A 69 188.466 -12.416 0.097 1.00 0.00 C ATOM 1013 CD ARG A 69 188.650 -13.905 0.348 1.00 0.00 C ATOM 1014 NE ARG A 69 188.020 -14.333 1.595 1.00 0.00 N ATOM 1015 CZ ARG A 69 186.755 -14.742 1.689 1.00 0.00 C ATOM 1016 NH1 ARG A 69 185.974 -14.777 0.616 1.00 0.00 N ATOM 1017 NH2 ARG A 69 186.268 -15.115 2.865 1.00 0.00 N ATOM 0 H ARG A 69 185.047 -10.769 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 69 187.895 -10.139 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.348 -12.116 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 69 186.915 -12.936 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 69 189.285 -12.046 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 69 188.511 -11.878 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 69 188.226 -14.468 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 69 189.714 -14.138 0.381 1.00 0.00 H new ATOM 0 HE ARG A 69 188.583 -14.318 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 69 186.341 -14.489 -0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 69 185.007 -15.092 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 69 186.861 -15.088 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 69 185.300 -15.428 2.940 1.00 0.00 H new ATOM 1031 N ASN A 70 186.808 -10.275 -3.711 1.00 0.00 N ATOM 1032 CA ASN A 70 187.025 -10.429 -5.145 1.00 0.00 C ATOM 1033 C ASN A 70 187.208 -9.075 -5.820 1.00 0.00 C ATOM 1034 O ASN A 70 186.835 -8.892 -6.979 1.00 0.00 O ATOM 1035 CB ASN A 70 185.851 -11.175 -5.783 1.00 0.00 C ATOM 1036 CG ASN A 70 186.239 -11.866 -7.073 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.745 -12.988 -7.065 1.00 0.00 O ATOM 1038 ND2 ASN A 70 186.002 -11.197 -8.197 1.00 0.00 N ATOM 0 H ASN A 70 186.148 -9.539 -3.460 1.00 0.00 H new ATOM 0 HA ASN A 70 187.937 -11.009 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.468 -11.914 -5.079 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.041 -10.472 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 70 186.241 -11.612 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 70 185.581 -10.269 -8.159 1.00 0.00 H new ATOM 1045 N ALA A 71 187.783 -8.128 -5.087 1.00 0.00 N ATOM 1046 CA ALA A 71 188.016 -6.791 -5.616 1.00 0.00 C ATOM 1047 C ALA A 71 189.507 -6.515 -5.766 1.00 0.00 C ATOM 1048 O ALA A 71 190.220 -6.347 -4.776 1.00 0.00 O ATOM 1049 CB ALA A 71 187.370 -5.748 -4.714 1.00 0.00 C ATOM 0 H ALA A 71 188.096 -8.262 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 71 187.561 -6.731 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.551 -4.753 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.296 -5.928 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 71 187.799 -5.815 -3.714 1.00 0.00 H new ATOM 1055 N LYS A 72 189.973 -6.470 -7.008 1.00 0.00 N ATOM 1056 CA LYS A 72 191.381 -6.213 -7.286 1.00 0.00 C ATOM 1057 C LYS A 72 191.717 -4.748 -7.043 1.00 0.00 C ATOM 1058 O LYS A 72 191.727 -3.939 -7.972 1.00 0.00 O ATOM 1059 CB LYS A 72 191.716 -6.598 -8.727 1.00 0.00 C ATOM 1060 CG LYS A 72 193.201 -6.820 -8.969 1.00 0.00 C ATOM 1061 CD LYS A 72 193.860 -5.586 -9.565 1.00 0.00 C ATOM 1062 CE LYS A 72 193.508 -5.421 -11.035 1.00 0.00 C ATOM 1063 NZ LYS A 72 194.339 -6.294 -11.908 1.00 0.00 N ATOM 0 H LYS A 72 189.397 -6.608 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 72 191.981 -6.822 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 72 191.174 -7.508 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 72 191.361 -5.814 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 72 193.689 -7.076 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 72 193.338 -7.667 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 72 193.544 -4.701 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 194.942 -5.661 -9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 72 192.454 -5.657 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 72 193.646 -4.380 -11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 194.067 -6.151 -12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 195.343 -6.053 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 194.188 -7.290 -11.648 1.00 0.00 H new ATOM 1077 N LEU A 73 191.987 -4.411 -5.787 1.00 0.00 N ATOM 1078 CA LEU A 73 192.319 -3.041 -5.416 1.00 0.00 C ATOM 1079 C LEU A 73 193.808 -2.773 -5.592 1.00 0.00 C ATOM 1080 O LEU A 73 194.642 -3.370 -4.910 1.00 0.00 O ATOM 1081 CB LEU A 73 191.907 -2.771 -3.968 1.00 0.00 C ATOM 1082 CG LEU A 73 190.415 -2.506 -3.757 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.071 -2.546 -2.276 1.00 0.00 C ATOM 1084 CD2 LEU A 73 190.022 -1.167 -4.362 1.00 0.00 C ATOM 0 H LEU A 73 191.982 -5.069 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 73 191.770 -2.369 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.198 -3.626 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 73 192.468 -1.912 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 73 189.850 -3.290 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.006 -2.355 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.317 -3.528 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.644 -1.783 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.958 -0.994 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 73 190.594 -0.371 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 73 190.232 -1.175 -5.431 1.00 0.00 H new ATOM 1096 N LYS A 74 194.138 -1.871 -6.510 1.00 0.00 N ATOM 1097 CA LYS A 74 195.528 -1.521 -6.774 1.00 0.00 C ATOM 1098 C LYS A 74 195.865 -0.159 -6.176 1.00 0.00 C ATOM 1099 O LYS A 74 195.131 0.810 -6.362 1.00 0.00 O ATOM 1100 CB LYS A 74 195.799 -1.516 -8.281 1.00 0.00 C ATOM 1101 CG LYS A 74 197.060 -2.272 -8.673 1.00 0.00 C ATOM 1102 CD LYS A 74 198.034 -1.382 -9.431 1.00 0.00 C ATOM 1103 CE LYS A 74 197.610 -1.201 -10.880 1.00 0.00 C ATOM 1104 NZ LYS A 74 198.430 -0.168 -11.574 1.00 0.00 N ATOM 0 H LYS A 74 193.461 -1.369 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 74 196.164 -2.271 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 74 194.946 -1.956 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 74 195.882 -0.485 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 197.544 -2.662 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 74 196.794 -3.130 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 74 198.094 -0.409 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 74 199.032 -1.819 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 74 197.701 -2.151 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 74 196.559 -0.916 -10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 198.110 -0.075 -12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 198.323 0.745 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 199.430 -0.452 -11.561 1.00 0.00 H new ATOM 1118 N LEU A 75 196.978 -0.097 -5.453 1.00 0.00 N ATOM 1119 CA LEU A 75 197.415 1.140 -4.818 1.00 0.00 C ATOM 1120 C LEU A 75 197.465 2.292 -5.817 1.00 0.00 C ATOM 1121 O LEU A 75 197.985 2.147 -6.924 1.00 0.00 O ATOM 1122 CB LEU A 75 198.789 0.948 -4.175 1.00 0.00 C ATOM 1123 CG LEU A 75 198.983 1.658 -2.835 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.816 0.802 -1.891 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.635 3.017 -3.042 1.00 0.00 C ATOM 0 H LEU A 75 197.596 -0.893 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 75 196.688 1.392 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 75 198.960 -0.119 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.551 1.302 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 75 198.004 1.812 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 199.943 1.324 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.309 -0.147 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 75 200.793 0.615 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.766 3.509 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.607 2.886 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 75 199.000 3.632 -3.680 1.00 0.00 H new ATOM 1137 N GLY A 76 196.916 3.432 -5.415 1.00 0.00 N ATOM 1138 CA GLY A 76 196.899 4.593 -6.281 1.00 0.00 C ATOM 1139 C GLY A 76 195.535 4.827 -6.890 1.00 0.00 C ATOM 1140 O GLY A 76 195.161 5.964 -7.181 1.00 0.00 O ATOM 0 H GLY A 76 196.482 3.572 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.198 5.474 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.633 4.463 -7.076 1.00 0.00 H new ATOM 1144 N ASP A 77 194.792 3.746 -7.085 1.00 0.00 N ATOM 1145 CA ASP A 77 193.467 3.823 -7.664 1.00 0.00 C ATOM 1146 C ASP A 77 192.508 4.568 -6.739 1.00 0.00 C ATOM 1147 O ASP A 77 192.763 4.710 -5.541 1.00 0.00 O ATOM 1148 CB ASP A 77 192.942 2.417 -7.956 1.00 0.00 C ATOM 1149 CG ASP A 77 191.799 2.416 -8.955 1.00 0.00 C ATOM 1150 OD1 ASP A 77 191.373 3.513 -9.375 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.334 1.317 -9.321 1.00 0.00 O ATOM 0 H ASP A 77 195.092 2.801 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 77 193.532 4.379 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.756 1.802 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.607 1.958 -7.026 1.00 0.00 H new ATOM 1156 N LYS A 78 191.404 5.041 -7.309 1.00 0.00 N ATOM 1157 CA LYS A 78 190.398 5.774 -6.549 1.00 0.00 C ATOM 1158 C LYS A 78 189.056 5.052 -6.597 1.00 0.00 C ATOM 1159 O LYS A 78 188.817 4.223 -7.473 1.00 0.00 O ATOM 1160 CB LYS A 78 190.243 7.189 -7.109 1.00 0.00 C ATOM 1161 CG LYS A 78 189.365 8.088 -6.253 1.00 0.00 C ATOM 1162 CD LYS A 78 189.827 9.534 -6.312 1.00 0.00 C ATOM 1163 CE LYS A 78 188.652 10.496 -6.253 1.00 0.00 C ATOM 1164 NZ LYS A 78 188.876 11.699 -7.103 1.00 0.00 N ATOM 0 H LYS A 78 191.183 4.929 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 78 190.727 5.832 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.229 7.643 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.820 7.130 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.332 8.021 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 78 189.384 7.740 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 190.505 9.735 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 78 190.389 9.700 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 78 187.747 9.984 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 78 188.488 10.806 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 188.147 12.411 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 189.816 12.096 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 188.821 11.430 -8.106 1.00 0.00 H new ATOM 1178 N ILE A 79 188.187 5.372 -5.645 1.00 0.00 N ATOM 1179 CA ILE A 79 186.868 4.753 -5.572 1.00 0.00 C ATOM 1180 C ILE A 79 185.750 5.769 -5.812 1.00 0.00 C ATOM 1181 O ILE A 79 185.857 6.933 -5.426 1.00 0.00 O ATOM 1182 CB ILE A 79 186.653 4.011 -4.230 1.00 0.00 C ATOM 1183 CG1 ILE A 79 186.904 2.514 -4.424 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.248 4.243 -3.683 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.358 2.173 -4.665 1.00 0.00 C ATOM 0 H ILE A 79 188.372 6.057 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 79 186.826 4.014 -6.372 1.00 0.00 H new ATOM 0 HB ILE A 79 187.361 4.408 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.554 1.978 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.311 2.160 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.132 3.708 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.094 5.309 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.513 3.878 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.463 1.096 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.707 2.682 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.954 2.496 -3.811 1.00 0.00 H new ATOM 1197 N TYR A 80 184.670 5.304 -6.428 1.00 0.00 N ATOM 1198 CA TYR A 80 183.506 6.142 -6.702 1.00 0.00 C ATOM 1199 C TYR A 80 182.243 5.302 -6.555 1.00 0.00 C ATOM 1200 O TYR A 80 182.131 4.242 -7.173 1.00 0.00 O ATOM 1201 CB TYR A 80 183.598 6.743 -8.104 1.00 0.00 C ATOM 1202 CG TYR A 80 184.900 7.465 -8.359 1.00 0.00 C ATOM 1203 CD1 TYR A 80 186.056 6.760 -8.672 1.00 0.00 C ATOM 1204 CD2 TYR A 80 184.979 8.849 -8.281 1.00 0.00 C ATOM 1205 CE1 TYR A 80 187.252 7.415 -8.900 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.171 9.511 -8.509 1.00 0.00 C ATOM 1207 CZ TYR A 80 187.304 8.790 -8.818 1.00 0.00 C ATOM 1208 OH TYR A 80 188.492 9.445 -9.047 1.00 0.00 O ATOM 0 H TYR A 80 184.575 4.341 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 80 183.474 6.966 -5.989 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.480 5.949 -8.841 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.771 7.438 -8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 80 186.019 5.683 -8.738 1.00 0.00 H new ATOM 0 HD2 TYR A 80 184.094 9.418 -8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 80 188.141 6.852 -9.141 1.00 0.00 H new ATOM 0 HE2 TYR A 80 186.214 10.588 -8.445 1.00 0.00 H new ATOM 0 HH TYR A 80 188.348 10.168 -9.693 1.00 0.00 H new ATOM 1218 N PHE A 81 181.305 5.742 -5.716 1.00 0.00 N ATOM 1219 CA PHE A 81 180.092 4.960 -5.502 1.00 0.00 C ATOM 1220 C PHE A 81 178.951 5.767 -4.907 1.00 0.00 C ATOM 1221 O PHE A 81 179.041 6.977 -4.701 1.00 0.00 O ATOM 1222 CB PHE A 81 180.385 3.802 -4.548 1.00 0.00 C ATOM 1223 CG PHE A 81 181.024 4.239 -3.259 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.291 4.798 -3.244 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.344 4.099 -2.060 1.00 0.00 C ATOM 1226 CE1 PHE A 81 182.867 5.210 -2.057 1.00 0.00 C ATOM 1227 CE2 PHE A 81 180.916 4.506 -0.870 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.177 5.064 -0.868 1.00 0.00 C ATOM 0 H PHE A 81 181.359 6.612 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 81 179.784 4.609 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.454 3.280 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.040 3.087 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 81 182.835 4.913 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.354 3.666 -2.056 1.00 0.00 H new ATOM 0 HE1 PHE A 81 183.855 5.646 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.376 4.387 0.058 1.00 0.00 H new ATOM 0 HZ PHE A 81 182.625 5.386 0.061 1.00 0.00 H new ATOM 1238 N TRP A 82 177.892 5.032 -4.602 1.00 0.00 N ATOM 1239 CA TRP A 82 176.694 5.574 -3.981 1.00 0.00 C ATOM 1240 C TRP A 82 176.046 4.477 -3.151 1.00 0.00 C ATOM 1241 O TRP A 82 175.815 3.373 -3.646 1.00 0.00 O ATOM 1242 CB TRP A 82 175.718 6.111 -5.033 1.00 0.00 C ATOM 1243 CG TRP A 82 175.204 5.069 -5.975 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.776 4.679 -7.149 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.007 4.294 -5.834 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.014 3.705 -7.745 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.923 3.450 -6.957 1.00 0.00 C ATOM 1248 CE3 TRP A 82 173.001 4.227 -4.867 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.875 2.552 -7.140 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.958 3.336 -5.049 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.903 2.509 -6.178 1.00 0.00 C ATOM 0 H TRP A 82 177.841 4.029 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 82 176.964 6.413 -3.340 1.00 0.00 H new ATOM 0 HB2 TRP A 82 174.873 6.576 -4.526 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.214 6.893 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.695 5.078 -7.552 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.226 3.246 -8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.037 4.860 -3.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.831 1.913 -8.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.174 3.277 -4.309 1.00 0.00 H new ATOM 0 HH2 TRP A 82 171.076 1.823 -6.292 1.00 0.00 H new ATOM 1262 N THR A 83 175.773 4.762 -1.883 1.00 0.00 N ATOM 1263 CA THR A 83 175.173 3.762 -1.004 1.00 0.00 C ATOM 1264 C THR A 83 173.725 4.097 -0.734 1.00 0.00 C ATOM 1265 O THR A 83 173.355 5.256 -0.729 1.00 0.00 O ATOM 1266 CB THR A 83 175.935 3.669 0.314 1.00 0.00 C ATOM 1267 OG1 THR A 83 176.121 4.954 0.882 1.00 0.00 O ATOM 1268 CG2 THR A 83 177.297 3.024 0.179 1.00 0.00 C ATOM 0 H THR A 83 175.954 5.665 -1.444 1.00 0.00 H new ATOM 0 HA THR A 83 175.228 2.797 -1.507 1.00 0.00 H new ATOM 0 HB THR A 83 175.317 3.040 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.610 4.870 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.782 2.991 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 83 177.183 2.010 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.908 3.606 -0.511 1.00 0.00 H new ATOM 1276 N TYR A 84 172.912 3.072 -0.516 1.00 0.00 N ATOM 1277 CA TYR A 84 171.496 3.270 -0.254 1.00 0.00 C ATOM 1278 C TYR A 84 171.050 2.474 0.966 1.00 0.00 C ATOM 1279 O TYR A 84 171.555 1.385 1.223 1.00 0.00 O ATOM 1280 CB TYR A 84 170.684 2.846 -1.478 1.00 0.00 C ATOM 1281 CG TYR A 84 169.207 3.150 -1.375 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.762 4.397 -0.957 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.258 2.190 -1.701 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.413 4.678 -0.864 1.00 0.00 C ATOM 1285 CE2 TYR A 84 166.906 2.463 -1.614 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.488 3.708 -1.194 1.00 0.00 C ATOM 1287 OH TYR A 84 165.144 3.985 -1.105 1.00 0.00 O ATOM 0 H TYR A 84 173.210 2.097 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 84 171.326 4.327 -0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.086 3.347 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 84 170.813 1.775 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.482 5.160 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 84 168.582 1.213 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 84 167.083 5.652 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.181 1.706 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 84 164.629 3.196 -1.374 1.00 0.00 H new ATOM 1297 N VAL A 85 170.099 3.023 1.710 1.00 0.00 N ATOM 1298 CA VAL A 85 169.580 2.358 2.900 1.00 0.00 C ATOM 1299 C VAL A 85 168.053 2.384 2.892 1.00 0.00 C ATOM 1300 O VAL A 85 167.449 3.177 2.173 1.00 0.00 O ATOM 1301 CB VAL A 85 170.119 3.005 4.212 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.963 4.233 3.911 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.994 3.371 5.175 1.00 0.00 C ATOM 0 H VAL A 85 169.671 3.927 1.511 1.00 0.00 H new ATOM 0 HA VAL A 85 169.927 1.325 2.876 1.00 0.00 H new ATOM 0 HB VAL A 85 170.745 2.255 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.325 4.663 4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.812 3.948 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.358 4.970 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.416 3.818 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.323 4.084 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.438 2.473 5.443 1.00 0.00 H new ATOM 1313 N ILE A 86 167.441 1.525 3.701 1.00 0.00 N ATOM 1314 CA ILE A 86 165.986 1.463 3.797 1.00 0.00 C ATOM 1315 C ILE A 86 165.544 1.396 5.246 1.00 0.00 C ATOM 1316 O ILE A 86 165.856 0.441 5.950 1.00 0.00 O ATOM 1317 CB ILE A 86 165.404 0.245 3.060 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.897 0.223 1.621 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.879 0.262 3.106 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.389 1.371 0.784 1.00 0.00 C ATOM 0 H ILE A 86 167.931 0.861 4.301 1.00 0.00 H new ATOM 0 HA ILE A 86 165.611 2.372 3.327 1.00 0.00 H new ATOM 0 HB ILE A 86 165.745 -0.661 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 86 166.987 0.240 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.592 -0.715 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.489 -0.609 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.546 0.237 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.511 1.170 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 86 165.784 1.286 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.300 1.344 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.716 2.314 1.223 1.00 0.00 H new ATOM 1332 N LYS A 87 164.814 2.412 5.677 1.00 0.00 N ATOM 1333 CA LYS A 87 164.313 2.481 7.044 1.00 0.00 C ATOM 1334 C LYS A 87 162.788 2.406 7.062 1.00 0.00 C ATOM 1335 O LYS A 87 162.112 3.361 7.444 1.00 0.00 O ATOM 1336 CB LYS A 87 164.784 3.776 7.713 1.00 0.00 C ATOM 1337 CG LYS A 87 164.839 3.690 9.230 1.00 0.00 C ATOM 1338 CD LYS A 87 164.773 5.068 9.871 1.00 0.00 C ATOM 1339 CE LYS A 87 164.603 4.973 11.379 1.00 0.00 C ATOM 1340 NZ LYS A 87 163.357 4.249 11.753 1.00 0.00 N ATOM 0 H LYS A 87 164.552 3.208 5.095 1.00 0.00 H new ATOM 0 HA LYS A 87 164.708 1.630 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.774 4.031 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.115 4.587 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 87 164.011 3.080 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.759 3.190 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 87 165.683 5.622 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.942 5.629 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 87 165.463 4.461 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 87 164.582 5.976 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 163.097 4.488 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 162.587 4.528 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 163.515 3.224 11.678 1.00 0.00 H new ATOM 1354 N ASP A 88 162.252 1.263 6.642 1.00 0.00 N ATOM 1355 CA ASP A 88 160.806 1.059 6.607 1.00 0.00 C ATOM 1356 C ASP A 88 160.156 1.969 5.568 1.00 0.00 C ATOM 1357 O ASP A 88 159.363 2.850 5.906 1.00 0.00 O ATOM 1358 CB ASP A 88 160.195 1.318 7.987 1.00 0.00 C ATOM 1359 CG ASP A 88 158.890 0.573 8.193 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.234 0.236 7.184 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.524 0.330 9.361 1.00 0.00 O ATOM 0 H ASP A 88 162.798 0.463 6.321 1.00 0.00 H new ATOM 0 HA ASP A 88 160.617 0.023 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.906 1.019 8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.023 2.387 8.110 1.00 0.00 H new ATOM 1366 N GLY A 89 160.499 1.753 4.301 1.00 0.00 N ATOM 1367 CA GLY A 89 159.941 2.560 3.231 1.00 0.00 C ATOM 1368 C GLY A 89 160.466 3.983 3.246 1.00 0.00 C ATOM 1369 O GLY A 89 159.785 4.908 2.806 1.00 0.00 O ATOM 0 H GLY A 89 161.154 1.033 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.176 2.099 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.855 2.575 3.320 1.00 0.00 H new ATOM 1373 N LEU A 90 161.682 4.155 3.753 1.00 0.00 N ATOM 1374 CA LEU A 90 162.305 5.474 3.830 1.00 0.00 C ATOM 1375 C LEU A 90 163.801 5.362 3.601 1.00 0.00 C ATOM 1376 O LEU A 90 164.592 5.381 4.543 1.00 0.00 O ATOM 1377 CB LEU A 90 162.028 6.111 5.186 1.00 0.00 C ATOM 1378 CG LEU A 90 160.625 5.853 5.719 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.535 6.204 7.196 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.607 6.640 4.911 1.00 0.00 C ATOM 0 H LEU A 90 162.258 3.396 4.118 1.00 0.00 H new ATOM 0 HA LEU A 90 161.877 6.107 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.754 5.735 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.184 7.187 5.109 1.00 0.00 H new ATOM 0 HG LEU A 90 160.403 4.791 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.524 6.012 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.242 5.594 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.775 7.258 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.607 6.449 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.828 7.705 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.655 6.332 3.867 1.00 0.00 H new ATOM 1392 N GLY A 91 164.175 5.217 2.341 1.00 0.00 N ATOM 1393 CA GLY A 91 165.562 5.069 1.998 1.00 0.00 C ATOM 1394 C GLY A 91 166.279 6.372 1.706 1.00 0.00 C ATOM 1395 O GLY A 91 165.659 7.395 1.417 1.00 0.00 O ATOM 0 H GLY A 91 163.534 5.200 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.074 4.563 2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.640 4.422 1.124 1.00 0.00 H new ATOM 1399 N TYR A 92 167.603 6.304 1.774 1.00 0.00 N ATOM 1400 CA TYR A 92 168.474 7.445 1.511 1.00 0.00 C ATOM 1401 C TYR A 92 169.815 6.934 0.999 1.00 0.00 C ATOM 1402 O TYR A 92 170.312 5.921 1.491 1.00 0.00 O ATOM 1403 CB TYR A 92 168.677 8.277 2.777 1.00 0.00 C ATOM 1404 CG TYR A 92 167.394 8.578 3.519 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.652 9.718 3.228 1.00 0.00 C ATOM 1406 CD2 TYR A 92 166.925 7.725 4.509 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.479 9.997 3.903 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.752 7.997 5.188 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.034 9.134 4.882 1.00 0.00 C ATOM 1410 OH TYR A 92 163.866 9.408 5.557 1.00 0.00 O ATOM 0 H TYR A 92 168.107 5.450 2.015 1.00 0.00 H new ATOM 0 HA TYR A 92 168.010 8.084 0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.356 7.747 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.161 9.217 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.998 10.396 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.486 6.835 4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.914 10.886 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.400 7.322 5.954 1.00 0.00 H new ATOM 0 HH TYR A 92 163.694 8.701 6.213 1.00 0.00 H new ATOM 1420 N ARG A 93 170.400 7.602 0.008 1.00 0.00 N ATOM 1421 CA ARG A 93 171.669 7.142 -0.529 1.00 0.00 C ATOM 1422 C ARG A 93 172.753 8.199 -0.463 1.00 0.00 C ATOM 1423 O ARG A 93 172.501 9.390 -0.649 1.00 0.00 O ATOM 1424 CB ARG A 93 171.519 6.679 -1.977 1.00 0.00 C ATOM 1425 CG ARG A 93 171.044 7.772 -2.920 1.00 0.00 C ATOM 1426 CD ARG A 93 169.536 7.735 -3.103 1.00 0.00 C ATOM 1427 NE ARG A 93 168.973 9.070 -3.291 1.00 0.00 N ATOM 1428 CZ ARG A 93 169.013 9.734 -4.444 1.00 0.00 C ATOM 1429 NH1 ARG A 93 169.586 9.192 -5.513 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.478 10.945 -4.531 1.00 0.00 N ATOM 0 H ARG A 93 170.024 8.444 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 93 171.971 6.305 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.478 6.299 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.814 5.848 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.340 8.745 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.532 7.656 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.291 7.114 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.077 7.268 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 93 168.524 9.519 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.999 8.261 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 93 169.613 9.707 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.036 11.367 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 93 168.509 11.454 -5.414 1.00 0.00 H new ATOM 1444 N GLN A 94 173.971 7.734 -0.228 1.00 0.00 N ATOM 1445 CA GLN A 94 175.128 8.604 -0.169 1.00 0.00 C ATOM 1446 C GLN A 94 175.874 8.522 -1.490 1.00 0.00 C ATOM 1447 O GLN A 94 176.905 7.856 -1.595 1.00 0.00 O ATOM 1448 CB GLN A 94 176.049 8.206 0.988 1.00 0.00 C ATOM 1449 CG GLN A 94 177.321 9.037 1.071 1.00 0.00 C ATOM 1450 CD GLN A 94 178.442 8.316 1.792 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.235 7.258 2.387 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.641 8.886 1.741 1.00 0.00 N ATOM 0 H GLN A 94 174.181 6.748 -0.074 1.00 0.00 H new ATOM 0 HA GLN A 94 174.799 9.629 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.502 8.301 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.318 7.155 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.648 9.295 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.106 9.973 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.768 9.763 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.435 8.446 2.206 1.00 0.00 H new ATOM 1461 N ASP A 95 175.319 9.175 -2.506 1.00 0.00 N ATOM 1462 CA ASP A 95 175.910 9.163 -3.835 1.00 0.00 C ATOM 1463 C ASP A 95 177.063 10.149 -3.935 1.00 0.00 C ATOM 1464 O ASP A 95 177.358 10.881 -2.991 1.00 0.00 O ATOM 1465 CB ASP A 95 174.856 9.495 -4.889 1.00 0.00 C ATOM 1466 CG ASP A 95 174.167 10.820 -4.623 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.178 10.833 -3.860 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.619 11.844 -5.177 1.00 0.00 O ATOM 0 H ASP A 95 174.460 9.719 -2.432 1.00 0.00 H new ATOM 0 HA ASP A 95 176.298 8.161 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.326 9.524 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.111 8.700 -4.916 1.00 0.00 H new ATOM 1473 N ASN A 96 177.713 10.157 -5.092 1.00 0.00 N ATOM 1474 CA ASN A 96 178.838 11.046 -5.330 1.00 0.00 C ATOM 1475 C ASN A 96 179.953 10.794 -4.316 1.00 0.00 C ATOM 1476 O ASN A 96 180.819 11.642 -4.107 1.00 0.00 O ATOM 1477 CB ASN A 96 178.374 12.501 -5.261 1.00 0.00 C ATOM 1478 CG ASN A 96 179.491 13.486 -5.546 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.030 13.531 -6.653 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.847 14.284 -4.544 1.00 0.00 N ATOM 0 H ASN A 96 177.478 9.555 -5.881 1.00 0.00 H new ATOM 0 HA ASN A 96 179.235 10.846 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.568 12.655 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 96 177.963 12.700 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.593 14.967 -4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.374 14.213 -3.643 1.00 0.00 H new ATOM 1487 N GLY A 97 179.928 9.619 -3.690 1.00 0.00 N ATOM 1488 CA GLY A 97 180.946 9.286 -2.713 1.00 0.00 C ATOM 1489 C GLY A 97 182.247 8.867 -3.361 1.00 0.00 C ATOM 1490 O GLY A 97 182.290 8.587 -4.560 1.00 0.00 O ATOM 0 H GLY A 97 179.224 8.897 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.124 10.147 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.584 8.480 -2.075 1.00 0.00 H new ATOM 1494 N GLU A 98 183.311 8.826 -2.571 1.00 0.00 N ATOM 1495 CA GLU A 98 184.620 8.441 -3.082 1.00 0.00 C ATOM 1496 C GLU A 98 185.496 7.862 -1.976 1.00 0.00 C ATOM 1497 O GLU A 98 185.243 8.076 -0.790 1.00 0.00 O ATOM 1498 CB GLU A 98 185.316 9.643 -3.720 1.00 0.00 C ATOM 1499 CG GLU A 98 185.586 10.777 -2.745 1.00 0.00 C ATOM 1500 CD GLU A 98 186.153 12.008 -3.425 1.00 0.00 C ATOM 1501 OE1 GLU A 98 185.396 12.686 -4.150 1.00 0.00 O ATOM 1502 OE2 GLU A 98 187.353 12.294 -3.232 1.00 0.00 O ATOM 0 H GLU A 98 183.294 9.054 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 98 184.469 7.671 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.260 9.317 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.700 10.017 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 98 184.659 11.042 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.283 10.435 -1.980 1.00 0.00 H new ATOM 1509 N TRP A 99 186.531 7.134 -2.377 1.00 0.00 N ATOM 1510 CA TRP A 99 187.457 6.524 -1.431 1.00 0.00 C ATOM 1511 C TRP A 99 188.816 6.296 -2.096 1.00 0.00 C ATOM 1512 O TRP A 99 188.943 6.409 -3.315 1.00 0.00 O ATOM 1513 CB TRP A 99 186.876 5.213 -0.898 1.00 0.00 C ATOM 1514 CG TRP A 99 187.800 4.468 0.009 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.173 4.812 1.278 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.467 3.243 -0.287 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.036 3.869 1.784 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.233 2.896 0.839 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.488 2.409 -1.402 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.011 1.745 0.877 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.261 1.268 -1.365 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.013 0.944 -0.233 1.00 0.00 C ATOM 0 H TRP A 99 186.751 6.951 -3.356 1.00 0.00 H new ATOM 0 HA TRP A 99 187.603 7.198 -0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 99 185.951 5.428 -0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.615 4.573 -1.741 1.00 0.00 H new ATOM 0 HD1 TRP A 99 187.839 5.694 1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.460 3.890 2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.909 2.652 -2.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.593 1.492 1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.286 0.614 -2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.608 0.043 -0.234 1.00 0.00 H new ATOM 1533 N THR A 100 189.836 6.012 -1.291 1.00 0.00 N ATOM 1534 CA THR A 100 191.188 5.814 -1.809 1.00 0.00 C ATOM 1535 C THR A 100 191.623 4.351 -1.784 1.00 0.00 C ATOM 1536 O THR A 100 191.111 3.546 -1.007 1.00 0.00 O ATOM 1537 CB THR A 100 192.175 6.634 -0.977 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.409 6.776 -1.660 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.469 6.023 0.386 1.00 0.00 C ATOM 0 H THR A 100 189.753 5.914 -0.279 1.00 0.00 H new ATOM 0 HA THR A 100 191.182 6.140 -2.849 1.00 0.00 H new ATOM 0 HB THR A 100 191.693 7.600 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.138 6.458 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.176 6.655 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.544 5.946 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 100 192.898 5.030 0.255 1.00 0.00 H new ATOM 1547 N VAL A 101 192.603 4.032 -2.624 1.00 0.00 N ATOM 1548 CA VAL A 101 193.156 2.684 -2.690 1.00 0.00 C ATOM 1549 C VAL A 101 194.666 2.693 -2.422 1.00 0.00 C ATOM 1550 O VAL A 101 195.301 1.642 -2.376 1.00 0.00 O ATOM 1551 CB VAL A 101 192.903 2.023 -4.057 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.125 0.521 -3.966 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.494 2.330 -4.549 1.00 0.00 C ATOM 0 H VAL A 101 193.032 4.693 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 101 192.647 2.106 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 101 193.611 2.434 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 101 192.943 0.067 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.152 0.323 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.440 0.096 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.335 1.854 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.767 1.948 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.371 3.408 -4.650 1.00 0.00 H new ATOM 1563 N THR A 102 195.233 3.888 -2.246 1.00 0.00 N ATOM 1564 CA THR A 102 196.665 4.034 -1.990 1.00 0.00 C ATOM 1565 C THR A 102 197.082 3.350 -0.691 1.00 0.00 C ATOM 1566 O THR A 102 198.268 3.111 -0.463 1.00 0.00 O ATOM 1567 CB THR A 102 197.043 5.516 -1.937 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.309 6.183 -0.925 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.795 6.245 -3.240 1.00 0.00 C ATOM 0 H THR A 102 194.720 4.769 -2.276 1.00 0.00 H new ATOM 0 HA THR A 102 197.195 3.549 -2.810 1.00 0.00 H new ATOM 0 HB THR A 102 198.113 5.534 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.565 7.129 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 102 197.084 7.290 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 102 197.385 5.785 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 102 195.737 6.186 -3.494 1.00 0.00 H new ATOM 1577 N GLU A 103 196.112 3.032 0.158 1.00 0.00 N ATOM 1578 CA GLU A 103 196.401 2.374 1.425 1.00 0.00 C ATOM 1579 C GLU A 103 195.813 0.970 1.445 1.00 0.00 C ATOM 1580 O GLU A 103 194.918 0.654 0.662 1.00 0.00 O ATOM 1581 CB GLU A 103 195.843 3.193 2.590 1.00 0.00 C ATOM 1582 CG GLU A 103 194.377 3.561 2.431 1.00 0.00 C ATOM 1583 CD GLU A 103 193.884 4.475 3.537 1.00 0.00 C ATOM 1584 OE1 GLU A 103 193.417 3.955 4.571 1.00 0.00 O ATOM 1585 OE2 GLU A 103 193.964 5.711 3.367 1.00 0.00 O ATOM 0 H GLU A 103 195.123 3.218 -0.007 1.00 0.00 H new ATOM 0 HA GLU A 103 197.483 2.300 1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 103 195.968 2.627 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 103 196.429 4.106 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 103 194.231 4.050 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 103 193.776 2.651 2.421 1.00 0.00 H new ATOM 1592 N PHE A 104 196.314 0.130 2.344 1.00 0.00 N ATOM 1593 CA PHE A 104 195.829 -1.233 2.460 1.00 0.00 C ATOM 1594 C PHE A 104 195.689 -1.602 3.925 1.00 0.00 C ATOM 1595 O PHE A 104 196.553 -1.274 4.737 1.00 0.00 O ATOM 1596 CB PHE A 104 196.783 -2.205 1.761 1.00 0.00 C ATOM 1597 CG PHE A 104 196.651 -2.214 0.263 1.00 0.00 C ATOM 1598 CD1 PHE A 104 195.540 -2.772 -0.346 1.00 0.00 C ATOM 1599 CD2 PHE A 104 197.642 -1.666 -0.535 1.00 0.00 C ATOM 1600 CE1 PHE A 104 195.418 -2.784 -1.724 1.00 0.00 C ATOM 1601 CE2 PHE A 104 197.528 -1.675 -1.913 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.414 -2.235 -2.508 1.00 0.00 C ATOM 0 H PHE A 104 197.055 0.372 3.001 1.00 0.00 H new ATOM 0 HA PHE A 104 194.854 -1.302 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.808 -1.945 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 104 196.602 -3.211 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 104 194.759 -3.203 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 104 198.515 -1.226 -0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 104 194.546 -3.222 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 104 198.309 -1.245 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 104 196.322 -2.244 -3.584 1.00 0.00 H new ATOM 1612 N VAL A 105 194.605 -2.282 4.265 1.00 0.00 N ATOM 1613 CA VAL A 105 194.385 -2.676 5.641 1.00 0.00 C ATOM 1614 C VAL A 105 194.815 -4.125 5.852 1.00 0.00 C ATOM 1615 O VAL A 105 195.523 -4.695 5.023 1.00 0.00 O ATOM 1616 CB VAL A 105 192.912 -2.469 6.077 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.416 -1.108 5.611 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.013 -3.576 5.538 1.00 0.00 C ATOM 0 H VAL A 105 193.874 -2.568 3.614 1.00 0.00 H new ATOM 0 HA VAL A 105 194.998 -2.031 6.271 1.00 0.00 H new ATOM 0 HB VAL A 105 192.872 -2.509 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 105 191.380 -0.972 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.033 -0.325 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.479 -1.050 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 105 190.987 -3.401 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.054 -3.580 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.354 -4.539 5.918 1.00 0.00 H new