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 Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.21 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-7.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.32 K(o=-0.32,f=-2.9!) USER MOD Single : A 51 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-2.3) USER MOD Single : A 57 THR OG1 : rot -51:sc= 1.17 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -1.37 (180deg=-3.27!) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.54 USER MOD Single : A 70 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.74) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.737) USER MOD Single : A 78 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 180:sc= -1.35 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= 0.885 (180deg=-0.0232) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 96 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.7!) USER MOD Single : A 100 THR OG1 : rot 141:sc= -3.3! USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0481 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 169.085 11.051 6.579 1.00 0.00 N ATOM 40 CA VAL A 8 170.002 10.701 5.501 1.00 0.00 C ATOM 41 C VAL A 8 170.802 9.445 5.829 1.00 0.00 C ATOM 42 O VAL A 8 170.946 9.070 6.989 1.00 0.00 O ATOM 43 CB VAL A 8 170.983 11.849 5.215 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.797 11.562 3.962 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.239 13.171 5.087 1.00 0.00 C ATOM 0 HA VAL A 8 169.389 10.514 4.619 1.00 0.00 H new ATOM 0 HB VAL A 8 171.673 11.927 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.485 12.387 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.364 10.641 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.126 11.452 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.951 13.971 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.522 13.107 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.710 13.382 6.016 1.00 0.00 H new ATOM 55 N VAL A 9 171.327 8.808 4.790 1.00 0.00 N ATOM 56 CA VAL A 9 172.123 7.596 4.950 1.00 0.00 C ATOM 57 C VAL A 9 173.440 7.894 5.667 1.00 0.00 C ATOM 58 O VAL A 9 174.021 8.964 5.490 1.00 0.00 O ATOM 59 CB VAL A 9 172.422 6.953 3.579 1.00 0.00 C ATOM 60 CG1 VAL A 9 172.968 7.997 2.620 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.394 5.787 3.710 1.00 0.00 C ATOM 0 H VAL A 9 171.216 9.112 3.823 1.00 0.00 H new ATOM 0 HA VAL A 9 171.541 6.900 5.554 1.00 0.00 H new ATOM 0 HB VAL A 9 171.487 6.559 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.175 7.532 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.233 8.791 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 9 173.888 8.418 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.582 5.358 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.332 6.142 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.964 5.026 4.361 1.00 0.00 H new ATOM 71 N PRO A 10 173.933 6.948 6.488 1.00 0.00 N ATOM 72 CA PRO A 10 175.189 7.118 7.225 1.00 0.00 C ATOM 73 C PRO A 10 176.392 7.207 6.291 1.00 0.00 C ATOM 74 O PRO A 10 176.236 7.384 5.082 1.00 0.00 O ATOM 75 CB PRO A 10 175.279 5.859 8.100 1.00 0.00 C ATOM 76 CG PRO A 10 173.910 5.269 8.087 1.00 0.00 C ATOM 77 CD PRO A 10 173.318 5.640 6.762 1.00 0.00 C ATOM 0 HA PRO A 10 175.199 8.044 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 10 176.013 5.157 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 10 175.590 6.107 9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 10 173.950 4.186 8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.308 5.660 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.561 4.909 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.231 5.705 6.808 1.00 0.00 H new ATOM 85 N SER A 11 177.591 7.092 6.852 1.00 0.00 N ATOM 86 CA SER A 11 178.814 7.169 6.062 1.00 0.00 C ATOM 87 C SER A 11 179.452 5.798 5.879 1.00 0.00 C ATOM 88 O SER A 11 179.753 5.107 6.853 1.00 0.00 O ATOM 89 CB SER A 11 179.807 8.122 6.724 1.00 0.00 C ATOM 90 OG SER A 11 180.814 8.527 5.811 1.00 0.00 O ATOM 0 H SER A 11 177.742 6.945 7.850 1.00 0.00 H new ATOM 0 HA SER A 11 178.548 7.548 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.279 8.998 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.266 7.634 7.583 1.00 0.00 H new ATOM 0 HG SER A 11 181.436 9.138 6.259 1.00 0.00 H new ATOM 96 N ALA A 12 179.656 5.410 4.622 1.00 0.00 N ATOM 97 CA ALA A 12 180.259 4.120 4.314 1.00 0.00 C ATOM 98 C ALA A 12 181.779 4.205 4.268 1.00 0.00 C ATOM 99 O ALA A 12 182.351 4.816 3.364 1.00 0.00 O ATOM 100 CB ALA A 12 179.722 3.588 2.995 1.00 0.00 C ATOM 0 H ALA A 12 179.413 5.970 3.805 1.00 0.00 H new ATOM 0 HA ALA A 12 179.990 3.431 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.181 2.624 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.641 3.468 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.958 4.291 2.196 1.00 0.00 H new ATOM 106 N LYS A 13 182.429 3.570 5.239 1.00 0.00 N ATOM 107 CA LYS A 13 183.885 3.555 5.299 1.00 0.00 C ATOM 108 C LYS A 13 184.426 2.478 4.367 1.00 0.00 C ATOM 109 O LYS A 13 183.712 1.533 4.035 1.00 0.00 O ATOM 110 CB LYS A 13 184.361 3.299 6.731 1.00 0.00 C ATOM 111 CG LYS A 13 185.669 3.995 7.071 1.00 0.00 C ATOM 112 CD LYS A 13 185.429 5.327 7.765 1.00 0.00 C ATOM 113 CE LYS A 13 186.599 5.709 8.657 1.00 0.00 C ATOM 114 NZ LYS A 13 186.994 7.133 8.474 1.00 0.00 N ATOM 0 H LYS A 13 181.970 3.060 5.994 1.00 0.00 H new ATOM 0 HA LYS A 13 184.260 4.528 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.590 3.632 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.481 2.226 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 13 186.268 3.351 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 13 186.244 4.157 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 185.271 6.105 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 13 184.519 5.269 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 186.332 5.537 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 13 187.450 5.065 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 187.795 7.354 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 187.273 7.291 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 186.190 7.749 8.710 1.00 0.00 H new ATOM 128 N LEU A 14 185.675 2.621 3.935 1.00 0.00 N ATOM 129 CA LEU A 14 186.271 1.645 3.026 1.00 0.00 C ATOM 130 C LEU A 14 187.771 1.488 3.260 1.00 0.00 C ATOM 131 O LEU A 14 188.474 2.455 3.556 1.00 0.00 O ATOM 132 CB LEU A 14 186.019 2.056 1.575 1.00 0.00 C ATOM 133 CG LEU A 14 184.548 2.084 1.153 1.00 0.00 C ATOM 134 CD1 LEU A 14 183.979 3.487 1.300 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.398 1.595 -0.279 1.00 0.00 C ATOM 0 H LEU A 14 186.289 3.393 4.195 1.00 0.00 H new ATOM 0 HA LEU A 14 185.798 0.683 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.445 3.046 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.555 1.369 0.921 1.00 0.00 H new ATOM 0 HG LEU A 14 183.988 1.415 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 182.932 3.489 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.055 3.803 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.541 4.176 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.346 1.621 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.971 2.240 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.770 0.573 -0.355 1.00 0.00 H new ATOM 147 N GLU A 15 188.250 0.257 3.106 1.00 0.00 N ATOM 148 CA GLU A 15 189.666 -0.053 3.277 1.00 0.00 C ATOM 149 C GLU A 15 190.101 -1.090 2.244 1.00 0.00 C ATOM 150 O GLU A 15 189.325 -1.979 1.889 1.00 0.00 O ATOM 151 CB GLU A 15 189.930 -0.578 4.689 1.00 0.00 C ATOM 152 CG GLU A 15 189.496 0.380 5.786 1.00 0.00 C ATOM 153 CD GLU A 15 190.246 0.159 7.084 1.00 0.00 C ATOM 154 OE1 GLU A 15 191.333 0.751 7.249 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.746 -0.607 7.935 1.00 0.00 O ATOM 0 H GLU A 15 187.673 -0.548 2.861 1.00 0.00 H new ATOM 0 HA GLU A 15 190.244 0.860 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 189.408 -1.526 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.995 -0.783 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 15 189.652 1.405 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.427 0.262 5.964 1.00 0.00 H new ATOM 162 N ALA A 16 191.335 -0.978 1.757 1.00 0.00 N ATOM 163 CA ALA A 16 191.835 -1.919 0.756 1.00 0.00 C ATOM 164 C ALA A 16 192.447 -3.153 1.407 1.00 0.00 C ATOM 165 O ALA A 16 193.509 -3.083 2.023 1.00 0.00 O ATOM 166 CB ALA A 16 192.850 -1.239 -0.152 1.00 0.00 C ATOM 0 H ALA A 16 192.000 -0.256 2.034 1.00 0.00 H new ATOM 0 HA ALA A 16 190.987 -2.246 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.212 -1.953 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.378 -0.398 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.688 -0.878 0.445 1.00 0.00 H new ATOM 172 N ILE A 17 191.762 -4.284 1.261 1.00 0.00 N ATOM 173 CA ILE A 17 192.225 -5.544 1.831 1.00 0.00 C ATOM 174 C ILE A 17 193.292 -6.190 0.955 1.00 0.00 C ATOM 175 O ILE A 17 193.094 -6.380 -0.246 1.00 0.00 O ATOM 176 CB ILE A 17 191.058 -6.537 2.010 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.883 -5.857 2.718 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.517 -7.759 2.792 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.213 -5.381 4.117 1.00 0.00 C ATOM 0 H ILE A 17 190.881 -4.353 0.751 1.00 0.00 H new ATOM 0 HA ILE A 17 192.654 -5.311 2.806 1.00 0.00 H new ATOM 0 HB ILE A 17 190.725 -6.863 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.553 -5.006 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.047 -6.554 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.682 -8.450 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.325 -8.254 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.873 -7.449 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.335 -4.910 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.514 -6.231 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.028 -4.659 4.073 1.00 0.00 H new ATOM 191 N TYR A 18 194.422 -6.530 1.564 1.00 0.00 N ATOM 192 CA TYR A 18 195.521 -7.161 0.840 1.00 0.00 C ATOM 193 C TYR A 18 195.374 -8.683 0.863 1.00 0.00 C ATOM 194 O TYR A 18 194.942 -9.252 1.865 1.00 0.00 O ATOM 195 CB TYR A 18 196.863 -6.754 1.452 1.00 0.00 C ATOM 196 CG TYR A 18 197.926 -6.435 0.424 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.704 -5.476 -0.555 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.149 -7.092 0.435 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.673 -5.180 -1.497 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.123 -6.803 -0.504 1.00 0.00 C ATOM 201 CZ TYR A 18 199.879 -5.848 -1.466 1.00 0.00 C ATOM 202 OH TYR A 18 200.846 -5.557 -2.402 1.00 0.00 O ATOM 0 H TYR A 18 194.602 -6.380 2.557 1.00 0.00 H new ATOM 0 HA TYR A 18 195.489 -6.823 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.713 -5.883 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.220 -7.560 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.760 -4.953 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 18 199.343 -7.841 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.486 -4.431 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 18 201.069 -7.323 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 18 201.636 -6.114 -2.241 1.00 0.00 H new ATOM 212 N PRO A 19 195.730 -9.368 -0.243 1.00 0.00 N ATOM 213 CA PRO A 19 196.245 -8.750 -1.454 1.00 0.00 C ATOM 214 C PRO A 19 195.146 -8.455 -2.470 1.00 0.00 C ATOM 215 O PRO A 19 195.415 -7.975 -3.569 1.00 0.00 O ATOM 216 CB PRO A 19 197.197 -9.818 -1.986 1.00 0.00 C ATOM 217 CG PRO A 19 196.666 -11.127 -1.478 1.00 0.00 C ATOM 218 CD PRO A 19 195.652 -10.823 -0.395 1.00 0.00 C ATOM 0 HA PRO A 19 196.713 -7.784 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.230 -9.805 -3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 19 198.214 -9.646 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.204 -11.692 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.475 -11.741 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.650 -11.142 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.894 -11.336 0.536 1.00 0.00 H new ATOM 226 N ARG A 20 193.904 -8.744 -2.092 1.00 0.00 N ATOM 227 CA ARG A 20 192.768 -8.509 -2.964 1.00 0.00 C ATOM 228 C ARG A 20 191.454 -8.632 -2.196 1.00 0.00 C ATOM 229 O ARG A 20 190.935 -9.731 -2.007 1.00 0.00 O ATOM 230 CB ARG A 20 192.787 -9.485 -4.142 1.00 0.00 C ATOM 231 CG ARG A 20 192.640 -8.809 -5.495 1.00 0.00 C ATOM 232 CD ARG A 20 192.372 -9.822 -6.597 1.00 0.00 C ATOM 233 NE ARG A 20 193.602 -10.244 -7.263 1.00 0.00 N ATOM 234 CZ ARG A 20 194.369 -9.432 -7.988 1.00 0.00 C ATOM 235 NH1 ARG A 20 194.037 -8.156 -8.142 1.00 0.00 N ATOM 236 NH2 ARG A 20 195.471 -9.897 -8.561 1.00 0.00 N ATOM 0 H ARG A 20 193.663 -9.142 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 20 192.843 -7.492 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 20 193.722 -10.044 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 20 191.981 -10.208 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG A 20 191.824 -8.088 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 20 193.548 -8.251 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 20 191.871 -10.693 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 20 191.693 -9.388 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 20 193.890 -11.218 -7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 193.191 -7.793 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 20 194.628 -7.539 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 20 195.731 -10.877 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 20 196.058 -9.275 -9.116 1.00 0.00 H new ATOM 250 N GLY A 21 190.922 -7.494 -1.760 1.00 0.00 N ATOM 251 CA GLY A 21 189.674 -7.494 -1.021 1.00 0.00 C ATOM 252 C GLY A 21 189.184 -6.092 -0.709 1.00 0.00 C ATOM 253 O GLY A 21 189.809 -5.109 -1.106 1.00 0.00 O ATOM 0 H GLY A 21 191.334 -6.572 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.914 -8.021 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.807 -8.045 -0.090 1.00 0.00 H new ATOM 257 N LEU A 22 188.064 -5.999 -0.001 1.00 0.00 N ATOM 258 CA LEU A 22 187.495 -4.704 0.356 1.00 0.00 C ATOM 259 C LEU A 22 186.613 -4.818 1.598 1.00 0.00 C ATOM 260 O LEU A 22 185.842 -5.767 1.741 1.00 0.00 O ATOM 261 CB LEU A 22 186.686 -4.145 -0.822 1.00 0.00 C ATOM 262 CG LEU A 22 185.673 -3.048 -0.471 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.323 -1.959 0.369 1.00 0.00 C ATOM 264 CD2 LEU A 22 185.068 -2.462 -1.738 1.00 0.00 C ATOM 0 H LEU A 22 187.533 -6.802 0.336 1.00 0.00 H new ATOM 0 HA LEU A 22 188.312 -4.020 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 22 187.382 -3.748 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 186.152 -4.969 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 22 184.873 -3.495 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.585 -1.192 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.705 -2.392 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 22 187.145 -1.511 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 184.351 -1.685 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 22 185.858 -2.032 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 184.561 -3.249 -2.296 1.00 0.00 H new ATOM 276 N ARG A 23 186.728 -3.838 2.489 1.00 0.00 N ATOM 277 CA ARG A 23 185.939 -3.819 3.715 1.00 0.00 C ATOM 278 C ARG A 23 185.174 -2.502 3.838 1.00 0.00 C ATOM 279 O ARG A 23 185.774 -1.427 3.860 1.00 0.00 O ATOM 280 CB ARG A 23 186.841 -4.020 4.935 1.00 0.00 C ATOM 281 CG ARG A 23 186.351 -5.105 5.879 1.00 0.00 C ATOM 282 CD ARG A 23 186.775 -4.834 7.315 1.00 0.00 C ATOM 283 NE ARG A 23 185.627 -4.673 8.203 1.00 0.00 N ATOM 284 CZ ARG A 23 185.691 -4.794 9.527 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.845 -5.079 10.120 1.00 0.00 N ATOM 286 NH2 ARG A 23 184.599 -4.632 10.262 1.00 0.00 N ATOM 0 H ARG A 23 187.361 -3.045 2.384 1.00 0.00 H new ATOM 0 HA ARG A 23 185.220 -4.638 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.846 -4.271 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 23 186.914 -3.080 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 23 185.264 -5.170 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.744 -6.070 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.396 -5.656 7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 23 187.388 -3.933 7.348 1.00 0.00 H new ATOM 0 HE ARG A 23 184.723 -4.455 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 23 187.688 -5.206 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 23 186.888 -5.170 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 23 183.709 -4.415 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 23 184.649 -4.725 11.277 1.00 0.00 H new ATOM 300 N VAL A 24 183.848 -2.596 3.908 1.00 0.00 N ATOM 301 CA VAL A 24 183.004 -1.411 4.018 1.00 0.00 C ATOM 302 C VAL A 24 182.106 -1.474 5.253 1.00 0.00 C ATOM 303 O VAL A 24 181.722 -2.557 5.697 1.00 0.00 O ATOM 304 CB VAL A 24 182.126 -1.238 2.763 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.323 0.054 2.835 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.980 -1.271 1.505 1.00 0.00 C ATOM 0 H VAL A 24 183.337 -3.479 3.890 1.00 0.00 H new ATOM 0 HA VAL A 24 183.672 -0.555 4.112 1.00 0.00 H new ATOM 0 HB VAL A 24 181.423 -2.070 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.712 0.153 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.678 0.033 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.004 0.902 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.343 -1.147 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.710 -0.462 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.500 -2.227 1.443 1.00 0.00 H new ATOM 316 N SER A 25 181.772 -0.305 5.800 1.00 0.00 N ATOM 317 CA SER A 25 180.914 -0.230 6.981 1.00 0.00 C ATOM 318 C SER A 25 180.155 1.096 7.030 1.00 0.00 C ATOM 319 O SER A 25 180.680 2.135 6.634 1.00 0.00 O ATOM 320 CB SER A 25 181.745 -0.400 8.254 1.00 0.00 C ATOM 321 OG SER A 25 182.985 -1.026 7.975 1.00 0.00 O ATOM 0 H SER A 25 182.082 0.600 5.445 1.00 0.00 H new ATOM 0 HA SER A 25 180.187 -1.039 6.916 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.921 0.574 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.189 -0.995 8.978 1.00 0.00 H new ATOM 0 HG SER A 25 183.497 -1.121 8.805 1.00 0.00 H new ATOM 327 N ILE A 26 178.917 1.047 7.520 1.00 0.00 N ATOM 328 CA ILE A 26 178.078 2.244 7.622 1.00 0.00 C ATOM 329 C ILE A 26 177.327 2.283 8.955 1.00 0.00 C ATOM 330 O ILE A 26 176.616 1.335 9.297 1.00 0.00 O ATOM 331 CB ILE A 26 177.030 2.301 6.491 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.411 0.921 6.266 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.646 2.829 5.208 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.899 0.941 6.233 1.00 0.00 C ATOM 0 H ILE A 26 178.471 0.192 7.853 1.00 0.00 H new ATOM 0 HA ILE A 26 178.753 3.096 7.545 1.00 0.00 H new ATOM 0 HB ILE A 26 176.240 2.988 6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.783 0.513 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.741 0.249 7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.887 2.860 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.034 3.834 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.460 2.173 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.525 -0.070 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.519 1.320 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.561 1.588 5.423 1.00 0.00 H new ATOM 346 N PRO A 27 177.457 3.387 9.723 1.00 0.00 N ATOM 347 CA PRO A 27 176.763 3.527 11.005 1.00 0.00 C ATOM 348 C PRO A 27 175.249 3.562 10.818 1.00 0.00 C ATOM 349 O PRO A 27 174.652 4.623 10.636 1.00 0.00 O ATOM 350 CB PRO A 27 177.277 4.856 11.569 1.00 0.00 C ATOM 351 CG PRO A 27 177.852 5.597 10.409 1.00 0.00 C ATOM 352 CD PRO A 27 178.271 4.570 9.392 1.00 0.00 C ATOM 0 HA PRO A 27 176.957 2.686 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.469 5.422 12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 27 178.031 4.688 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 27 177.116 6.281 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.705 6.200 10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 27 178.080 4.914 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.337 4.353 9.460 1.00 0.00 H new ATOM 360 N ASP A 28 174.643 2.380 10.847 1.00 0.00 N ATOM 361 CA ASP A 28 173.203 2.221 10.662 1.00 0.00 C ATOM 362 C ASP A 28 172.397 3.142 11.571 1.00 0.00 C ATOM 363 O ASP A 28 172.889 3.630 12.589 1.00 0.00 O ATOM 364 CB ASP A 28 172.806 0.765 10.929 1.00 0.00 C ATOM 365 CG ASP A 28 171.310 0.532 10.831 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.670 1.135 9.944 1.00 0.00 O ATOM 367 OD2 ASP A 28 170.778 -0.254 11.643 1.00 0.00 O ATOM 0 H ASP A 28 175.138 1.501 11.000 1.00 0.00 H new ATOM 0 HA ASP A 28 172.975 2.493 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.317 0.118 10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.149 0.477 11.923 1.00 0.00 H new ATOM 372 N ASP A 29 171.141 3.346 11.193 1.00 0.00 N ATOM 373 CA ASP A 29 170.222 4.175 11.954 1.00 0.00 C ATOM 374 C ASP A 29 168.845 3.527 11.965 1.00 0.00 C ATOM 375 O ASP A 29 167.820 4.195 11.827 1.00 0.00 O ATOM 376 CB ASP A 29 170.142 5.583 11.363 1.00 0.00 C ATOM 377 CG ASP A 29 169.486 6.570 12.309 1.00 0.00 C ATOM 378 OD1 ASP A 29 168.661 6.136 13.141 1.00 0.00 O ATOM 379 OD2 ASP A 29 169.796 7.777 12.219 1.00 0.00 O ATOM 0 H ASP A 29 170.734 2.941 10.350 1.00 0.00 H new ATOM 0 HA ASP A 29 170.590 4.261 12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 29 171.146 5.930 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.581 5.551 10.429 1.00 0.00 H new ATOM 384 N GLY A 30 168.843 2.209 12.135 1.00 0.00 N ATOM 385 CA GLY A 30 167.612 1.457 12.169 1.00 0.00 C ATOM 386 C GLY A 30 167.010 1.239 10.794 1.00 0.00 C ATOM 387 O GLY A 30 165.820 1.483 10.588 1.00 0.00 O ATOM 0 H GLY A 30 169.686 1.647 12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.797 0.489 12.636 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.890 1.981 12.796 1.00 0.00 H new ATOM 391 N PHE A 31 167.823 0.775 9.852 1.00 0.00 N ATOM 392 CA PHE A 31 167.348 0.521 8.497 1.00 0.00 C ATOM 393 C PHE A 31 166.936 -0.932 8.323 1.00 0.00 C ATOM 394 O PHE A 31 166.922 -1.714 9.273 1.00 0.00 O ATOM 395 CB PHE A 31 168.426 0.851 7.462 1.00 0.00 C ATOM 396 CG PHE A 31 169.103 2.172 7.682 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.372 3.290 8.054 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.472 2.296 7.512 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.997 4.507 8.253 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.101 3.508 7.711 1.00 0.00 C ATOM 401 CZ PHE A 31 170.363 4.616 8.080 1.00 0.00 C ATOM 0 H PHE A 31 168.811 0.568 10.001 1.00 0.00 H new ATOM 0 HA PHE A 31 166.483 1.166 8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.179 0.063 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.975 0.847 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.304 3.209 8.190 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.054 1.434 7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.418 5.371 8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.170 3.590 7.578 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.853 5.566 8.233 1.00 0.00 H new ATOM 411 N SER A 32 166.618 -1.279 7.086 1.00 0.00 N ATOM 412 CA SER A 32 166.218 -2.630 6.734 1.00 0.00 C ATOM 413 C SER A 32 167.058 -3.138 5.573 1.00 0.00 C ATOM 414 O SER A 32 167.315 -4.337 5.465 1.00 0.00 O ATOM 415 CB SER A 32 164.731 -2.676 6.373 1.00 0.00 C ATOM 416 OG SER A 32 163.923 -2.651 7.537 1.00 0.00 O ATOM 0 H SER A 32 166.630 -0.631 6.298 1.00 0.00 H new ATOM 0 HA SER A 32 166.381 -3.275 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.482 -1.828 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.520 -3.579 5.800 1.00 0.00 H new ATOM 0 HG SER A 32 162.978 -2.680 7.280 1.00 0.00 H new ATOM 422 N LEU A 33 167.503 -2.224 4.707 1.00 0.00 N ATOM 423 CA LEU A 33 168.332 -2.626 3.573 1.00 0.00 C ATOM 424 C LEU A 33 169.435 -1.619 3.298 1.00 0.00 C ATOM 425 O LEU A 33 169.225 -0.414 3.391 1.00 0.00 O ATOM 426 CB LEU A 33 167.506 -2.798 2.301 1.00 0.00 C ATOM 427 CG LEU A 33 168.137 -3.731 1.266 1.00 0.00 C ATOM 428 CD1 LEU A 33 168.095 -5.172 1.742 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.445 -3.588 -0.081 1.00 0.00 C ATOM 0 H LEU A 33 167.308 -1.225 4.767 1.00 0.00 H new ATOM 0 HA LEU A 33 168.775 -3.583 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.522 -3.183 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.352 -1.820 1.846 1.00 0.00 H new ATOM 0 HG LEU A 33 169.182 -3.445 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.549 -5.817 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.646 -5.262 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 33 167.059 -5.473 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.910 -4.260 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.390 -3.841 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.539 -2.560 -0.431 1.00 0.00 H new ATOM 441 N PHE A 34 170.605 -2.133 2.936 1.00 0.00 N ATOM 442 CA PHE A 34 171.751 -1.298 2.611 1.00 0.00 C ATOM 443 C PHE A 34 172.327 -1.694 1.253 1.00 0.00 C ATOM 444 O PHE A 34 173.017 -2.707 1.136 1.00 0.00 O ATOM 445 CB PHE A 34 172.826 -1.428 3.686 1.00 0.00 C ATOM 446 CG PHE A 34 174.033 -0.572 3.429 1.00 0.00 C ATOM 447 CD1 PHE A 34 173.919 0.807 3.356 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.282 -1.147 3.259 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.027 1.596 3.117 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.395 -0.362 3.020 1.00 0.00 C ATOM 451 CZ PHE A 34 176.267 1.010 2.950 1.00 0.00 C ATOM 0 H PHE A 34 170.784 -3.134 2.860 1.00 0.00 H new ATOM 0 HA PHE A 34 171.419 -0.261 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.398 -1.159 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.137 -2.470 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 34 172.952 1.270 3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.388 -2.220 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 34 174.924 2.670 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.363 -0.822 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.135 1.625 2.765 1.00 0.00 H new ATOM 461 N ALA A 35 172.042 -0.894 0.230 1.00 0.00 N ATOM 462 CA ALA A 35 172.537 -1.172 -1.116 1.00 0.00 C ATOM 463 C ALA A 35 173.803 -0.378 -1.406 1.00 0.00 C ATOM 464 O ALA A 35 173.805 0.849 -1.337 1.00 0.00 O ATOM 465 CB ALA A 35 171.462 -0.857 -2.147 1.00 0.00 C ATOM 0 H ALA A 35 171.473 -0.051 0.306 1.00 0.00 H new ATOM 0 HA ALA A 35 172.783 -2.232 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.843 -1.068 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.583 -1.473 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.189 0.196 -2.078 1.00 0.00 H new ATOM 471 N PHE A 36 174.884 -1.083 -1.725 1.00 0.00 N ATOM 472 CA PHE A 36 176.153 -0.427 -2.014 1.00 0.00 C ATOM 473 C PHE A 36 176.540 -0.579 -3.481 1.00 0.00 C ATOM 474 O PHE A 36 176.657 -1.690 -3.992 1.00 0.00 O ATOM 475 CB PHE A 36 177.258 -0.998 -1.125 1.00 0.00 C ATOM 476 CG PHE A 36 178.584 -0.317 -1.312 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.668 1.065 -1.354 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.747 -1.058 -1.446 1.00 0.00 C ATOM 479 CE1 PHE A 36 179.886 1.695 -1.525 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.967 -0.436 -1.618 1.00 0.00 C ATOM 481 CZ PHE A 36 181.037 0.944 -1.657 1.00 0.00 C ATOM 0 H PHE A 36 174.907 -2.101 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 36 176.031 0.636 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.956 -0.910 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.371 -2.061 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 36 177.771 1.657 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 36 179.698 -2.136 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 36 179.937 2.773 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.865 -1.026 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.990 1.434 -1.790 1.00 0.00 H new ATOM 491 N HIS A 37 176.744 0.555 -4.146 1.00 0.00 N ATOM 492 CA HIS A 37 177.130 0.584 -5.543 1.00 0.00 C ATOM 493 C HIS A 37 178.426 1.372 -5.684 1.00 0.00 C ATOM 494 O HIS A 37 178.482 2.530 -5.274 1.00 0.00 O ATOM 495 CB HIS A 37 176.032 1.257 -6.353 1.00 0.00 C ATOM 496 CG HIS A 37 175.411 0.373 -7.388 1.00 0.00 C ATOM 497 ND1 HIS A 37 174.588 0.843 -8.388 1.00 0.00 N ATOM 498 CD2 HIS A 37 175.475 -0.969 -7.558 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.170 -0.170 -9.125 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.695 -1.280 -8.643 1.00 0.00 N ATOM 0 H HIS A 37 176.645 1.479 -3.725 1.00 0.00 H new ATOM 0 HA HIS A 37 177.278 -0.432 -5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.254 1.605 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.445 2.139 -6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 37 174.340 1.821 -8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 37 176.036 -1.665 -6.952 1.00 0.00 H new ATOM 0 HE1 HIS A 37 173.510 -0.101 -9.977 1.00 0.00 H new ATOM 509 N GLY A 38 179.474 0.767 -6.242 1.00 0.00 N ATOM 510 CA GLY A 38 180.724 1.500 -6.364 1.00 0.00 C ATOM 511 C GLY A 38 181.596 1.062 -7.517 1.00 0.00 C ATOM 512 O GLY A 38 181.787 -0.130 -7.752 1.00 0.00 O ATOM 0 H GLY A 38 179.483 -0.187 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.499 2.561 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.287 1.391 -5.437 1.00 0.00 H new ATOM 516 N LYS A 39 182.148 2.045 -8.221 1.00 0.00 N ATOM 517 CA LYS A 39 183.031 1.789 -9.346 1.00 0.00 C ATOM 518 C LYS A 39 184.353 2.515 -9.143 1.00 0.00 C ATOM 519 O LYS A 39 184.377 3.720 -8.887 1.00 0.00 O ATOM 520 CB LYS A 39 182.379 2.240 -10.655 1.00 0.00 C ATOM 521 CG LYS A 39 182.630 1.294 -11.819 1.00 0.00 C ATOM 522 CD LYS A 39 183.918 1.638 -12.547 1.00 0.00 C ATOM 523 CE LYS A 39 184.642 0.387 -13.024 1.00 0.00 C ATOM 524 NZ LYS A 39 185.205 0.559 -14.392 1.00 0.00 N ATOM 0 H LYS A 39 181.995 3.035 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 39 183.218 0.717 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.304 2.336 -10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.754 3.230 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 39 182.681 0.269 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 181.793 1.342 -12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 39 183.695 2.278 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 39 184.571 2.207 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 39 185.446 0.145 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 39 183.951 -0.456 -13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 185.690 -0.315 -14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 184.436 0.765 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 185.883 1.347 -14.392 1.00 0.00 H new ATOM 538 N LEU A 40 185.452 1.779 -9.243 1.00 0.00 N ATOM 539 CA LEU A 40 186.771 2.365 -9.059 1.00 0.00 C ATOM 540 C LEU A 40 187.331 2.873 -10.383 1.00 0.00 C ATOM 541 O LEU A 40 187.160 2.241 -11.425 1.00 0.00 O ATOM 542 CB LEU A 40 187.726 1.345 -8.431 1.00 0.00 C ATOM 543 CG LEU A 40 188.173 0.210 -9.353 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.616 -0.171 -9.060 1.00 0.00 C ATOM 545 CD2 LEU A 40 187.258 -0.995 -9.194 1.00 0.00 C ATOM 0 H LEU A 40 185.456 0.780 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 40 186.674 3.215 -8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 188.612 1.872 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.242 0.910 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 40 188.110 0.554 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 40 189.921 -0.980 -9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 40 190.260 0.693 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 189.702 -0.499 -8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 40 187.590 -1.794 -9.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 187.291 -1.343 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 40 186.237 -0.712 -9.449 1.00 0.00 H new ATOM 557 N ASN A 41 187.996 4.022 -10.335 1.00 0.00 N ATOM 558 CA ASN A 41 188.577 4.620 -11.532 1.00 0.00 C ATOM 559 C ASN A 41 187.488 4.990 -12.536 1.00 0.00 C ATOM 560 O ASN A 41 187.638 4.770 -13.738 1.00 0.00 O ATOM 561 CB ASN A 41 189.582 3.661 -12.173 1.00 0.00 C ATOM 562 CG ASN A 41 190.888 4.345 -12.528 1.00 0.00 C ATOM 563 OD1 ASN A 41 191.170 5.448 -12.065 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.695 3.689 -13.355 1.00 0.00 N ATOM 0 H ASN A 41 188.146 4.558 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 41 189.098 5.531 -11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.781 2.837 -11.488 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.145 3.229 -13.073 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.588 4.099 -13.629 1.00 0.00 H new ATOM 0 HD22 ASN A 41 191.422 2.775 -13.716 1.00 0.00 H new ATOM 571 N GLU A 42 186.396 5.559 -12.035 1.00 0.00 N ATOM 572 CA GLU A 42 185.285 5.969 -12.876 1.00 0.00 C ATOM 573 C GLU A 42 184.181 6.589 -12.033 1.00 0.00 C ATOM 574 O GLU A 42 183.495 5.902 -11.275 1.00 0.00 O ATOM 575 CB GLU A 42 184.727 4.791 -13.670 1.00 0.00 C ATOM 576 CG GLU A 42 183.616 5.198 -14.620 1.00 0.00 C ATOM 577 CD GLU A 42 183.093 4.036 -15.443 1.00 0.00 C ATOM 578 OE1 GLU A 42 183.732 3.694 -16.461 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.047 3.468 -15.070 1.00 0.00 O ATOM 0 H GLU A 42 186.260 5.746 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 42 185.660 6.712 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.533 4.327 -14.238 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.350 4.038 -12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.795 5.631 -14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 42 183.983 5.976 -15.290 1.00 0.00 H new ATOM 586 N GLU A 43 184.030 7.893 -12.169 1.00 0.00 N ATOM 587 CA GLU A 43 183.023 8.635 -11.422 1.00 0.00 C ATOM 588 C GLU A 43 181.617 8.131 -11.723 1.00 0.00 C ATOM 589 O GLU A 43 181.434 7.082 -12.339 1.00 0.00 O ATOM 590 CB GLU A 43 183.115 10.128 -11.743 1.00 0.00 C ATOM 591 CG GLU A 43 184.523 10.675 -11.638 1.00 0.00 C ATOM 592 CD GLU A 43 184.625 12.121 -12.082 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.592 12.823 -12.063 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.738 12.553 -12.450 1.00 0.00 O ATOM 0 H GLU A 43 184.595 8.467 -12.794 1.00 0.00 H new ATOM 0 HA GLU A 43 183.221 8.478 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.740 10.300 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.466 10.680 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.865 10.591 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.191 10.065 -12.246 1.00 0.00 H new ATOM 656 N GLU A 48 174.644 4.266 -11.376 1.00 0.00 N ATOM 657 CA GLU A 48 175.344 3.385 -12.301 1.00 0.00 C ATOM 658 C GLU A 48 175.674 2.053 -11.639 1.00 0.00 C ATOM 659 O GLU A 48 175.973 2.000 -10.445 1.00 0.00 O ATOM 660 CB GLU A 48 176.627 4.050 -12.802 1.00 0.00 C ATOM 661 CG GLU A 48 176.431 4.881 -14.059 1.00 0.00 C ATOM 662 CD GLU A 48 175.865 6.257 -13.769 1.00 0.00 C ATOM 663 OE1 GLU A 48 175.221 6.421 -12.711 1.00 0.00 O ATOM 664 OE2 GLU A 48 176.065 7.169 -14.597 1.00 0.00 O ATOM 0 HA GLU A 48 174.687 3.196 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 177.027 4.688 -12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 48 177.373 3.280 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 48 177.387 4.987 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.761 4.353 -14.738 1.00 0.00 H new ATOM 671 N ALA A 49 175.611 0.978 -12.418 1.00 0.00 N ATOM 672 CA ALA A 49 175.898 -0.354 -11.907 1.00 0.00 C ATOM 673 C ALA A 49 177.249 -0.408 -11.204 1.00 0.00 C ATOM 674 O ALA A 49 177.476 -1.258 -10.342 1.00 0.00 O ATOM 675 CB ALA A 49 175.850 -1.372 -13.037 1.00 0.00 C ATOM 0 H ALA A 49 175.363 1.005 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 49 175.132 -0.599 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.066 -2.365 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.857 -1.369 -13.487 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.592 -1.112 -13.792 1.00 0.00 H new ATOM 681 N GLY A 50 178.146 0.502 -11.576 1.00 0.00 N ATOM 682 CA GLY A 50 179.467 0.541 -10.975 1.00 0.00 C ATOM 683 C GLY A 50 180.111 -0.830 -10.897 1.00 0.00 C ATOM 684 O GLY A 50 180.139 -1.569 -11.880 1.00 0.00 O ATOM 0 H GLY A 50 177.980 1.215 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 50 180.107 1.207 -11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.394 0.962 -9.972 1.00 0.00 H new ATOM 688 N HIS A 51 180.622 -1.168 -9.721 1.00 0.00 N ATOM 689 CA HIS A 51 181.261 -2.458 -9.505 1.00 0.00 C ATOM 690 C HIS A 51 180.665 -3.152 -8.288 1.00 0.00 C ATOM 691 O HIS A 51 179.847 -4.062 -8.419 1.00 0.00 O ATOM 692 CB HIS A 51 182.772 -2.286 -9.332 1.00 0.00 C ATOM 693 CG HIS A 51 183.573 -2.878 -10.449 1.00 0.00 C ATOM 694 ND1 HIS A 51 184.465 -2.149 -11.206 1.00 0.00 N ATOM 695 CD2 HIS A 51 183.614 -4.142 -10.937 1.00 0.00 C ATOM 696 CE1 HIS A 51 185.019 -2.936 -12.111 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.520 -4.150 -11.968 1.00 0.00 N ATOM 0 H HIS A 51 180.606 -0.564 -8.899 1.00 0.00 H new ATOM 0 HA HIS A 51 181.081 -3.081 -10.381 1.00 0.00 H new ATOM 0 HB2 HIS A 51 183.002 -1.223 -9.254 1.00 0.00 H new ATOM 0 HB3 HIS A 51 183.077 -2.748 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 51 183.041 -4.985 -10.581 1.00 0.00 H new ATOM 0 HE1 HIS A 51 185.755 -2.637 -12.843 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.768 -4.963 -12.533 1.00 0.00 H new ATOM 706 N TRP A 52 181.070 -2.711 -7.104 1.00 0.00 N ATOM 707 CA TRP A 52 180.563 -3.288 -5.869 1.00 0.00 C ATOM 708 C TRP A 52 179.062 -3.059 -5.759 1.00 0.00 C ATOM 709 O TRP A 52 178.620 -2.010 -5.295 1.00 0.00 O ATOM 710 CB TRP A 52 181.280 -2.679 -4.664 1.00 0.00 C ATOM 711 CG TRP A 52 182.716 -3.089 -4.572 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.208 -4.218 -3.984 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.846 -2.379 -5.091 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.574 -4.252 -4.103 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.991 -3.134 -4.777 1.00 0.00 C ATOM 716 CE3 TRP A 52 184.000 -1.177 -5.787 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.273 -2.726 -5.139 1.00 0.00 C ATOM 718 CZ3 TRP A 52 185.272 -0.774 -6.145 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.395 -1.546 -5.822 1.00 0.00 C ATOM 0 H TRP A 52 181.746 -1.958 -6.974 1.00 0.00 H new ATOM 0 HA TRP A 52 180.754 -4.361 -5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 52 181.221 -1.592 -4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.763 -2.977 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.610 -4.974 -3.497 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.181 -4.990 -3.747 1.00 0.00 H new ATOM 0 HE3 TRP A 52 183.140 -0.574 -6.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 187.140 -3.320 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.403 0.153 -6.684 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.376 -1.204 -6.117 1.00 0.00 H new ATOM 730 N ALA A 53 178.292 -4.048 -6.206 1.00 0.00 N ATOM 731 CA ALA A 53 176.834 -3.976 -6.170 1.00 0.00 C ATOM 732 C ALA A 53 176.255 -5.083 -5.298 1.00 0.00 C ATOM 733 O ALA A 53 175.947 -6.168 -5.789 1.00 0.00 O ATOM 734 CB ALA A 53 176.267 -4.059 -7.579 1.00 0.00 C ATOM 0 H ALA A 53 178.657 -4.915 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 53 176.551 -3.018 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.179 -4.004 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.650 -3.230 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.565 -5.002 -8.036 1.00 0.00 H new ATOM 740 N ARG A 54 176.127 -4.819 -4.005 1.00 0.00 N ATOM 741 CA ARG A 54 175.605 -5.815 -3.083 1.00 0.00 C ATOM 742 C ARG A 54 174.608 -5.214 -2.095 1.00 0.00 C ATOM 743 O ARG A 54 174.901 -4.226 -1.422 1.00 0.00 O ATOM 744 CB ARG A 54 176.769 -6.458 -2.336 1.00 0.00 C ATOM 745 CG ARG A 54 176.348 -7.554 -1.371 1.00 0.00 C ATOM 746 CD ARG A 54 176.276 -8.905 -2.063 1.00 0.00 C ATOM 747 NE ARG A 54 175.193 -8.963 -3.042 1.00 0.00 N ATOM 748 CZ ARG A 54 175.143 -9.836 -4.045 1.00 0.00 C ATOM 749 NH1 ARG A 54 176.112 -10.730 -4.206 1.00 0.00 N ATOM 750 NH2 ARG A 54 174.121 -9.816 -4.890 1.00 0.00 N ATOM 0 H ARG A 54 176.376 -3.929 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 54 175.067 -6.568 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.468 -6.874 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.305 -5.686 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 54 177.056 -7.604 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.375 -7.310 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 54 177.225 -9.109 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 54 176.132 -9.687 -1.317 1.00 0.00 H new ATOM 0 HE ARG A 54 174.429 -8.294 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 54 176.900 -10.750 -3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 54 176.068 -11.397 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 54 173.374 -9.132 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 54 174.082 -10.485 -5.659 1.00 0.00 H new ATOM 764 N ASP A 55 173.430 -5.829 -2.012 1.00 0.00 N ATOM 765 CA ASP A 55 172.380 -5.380 -1.106 1.00 0.00 C ATOM 766 C ASP A 55 172.361 -6.238 0.155 1.00 0.00 C ATOM 767 O ASP A 55 171.946 -7.395 0.122 1.00 0.00 O ATOM 768 CB ASP A 55 171.019 -5.451 -1.802 1.00 0.00 C ATOM 769 CG ASP A 55 170.846 -6.709 -2.633 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.757 -7.804 -2.038 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.798 -6.598 -3.875 1.00 0.00 O ATOM 0 H ASP A 55 173.179 -6.647 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 55 172.585 -4.347 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.230 -5.406 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.899 -4.578 -2.444 1.00 0.00 H new ATOM 776 N ILE A 56 172.822 -5.668 1.264 1.00 0.00 N ATOM 777 CA ILE A 56 172.862 -6.391 2.530 1.00 0.00 C ATOM 778 C ILE A 56 171.561 -6.224 3.309 1.00 0.00 C ATOM 779 O ILE A 56 170.967 -5.146 3.321 1.00 0.00 O ATOM 780 CB ILE A 56 174.038 -5.924 3.409 1.00 0.00 C ATOM 781 CG1 ILE A 56 175.317 -5.814 2.575 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.242 -6.882 4.573 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.591 -4.414 2.068 1.00 0.00 C ATOM 0 H ILE A 56 173.172 -4.711 1.312 1.00 0.00 H new ATOM 0 HA ILE A 56 172.998 -7.444 2.283 1.00 0.00 H new ATOM 0 HB ILE A 56 173.802 -4.938 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 56 176.163 -6.146 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 56 175.246 -6.492 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 56 175.076 -6.539 5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.337 -6.916 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.459 -7.879 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.512 -4.412 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 56 174.763 -4.086 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 56 175.695 -3.735 2.914 1.00 0.00 H new ATOM 795 N THR A 57 171.127 -7.300 3.958 1.00 0.00 N ATOM 796 CA THR A 57 169.896 -7.279 4.744 1.00 0.00 C ATOM 797 C THR A 57 170.134 -7.839 6.143 1.00 0.00 C ATOM 798 O THR A 57 169.224 -8.386 6.766 1.00 0.00 O ATOM 799 CB THR A 57 168.802 -8.082 4.040 1.00 0.00 C ATOM 800 OG1 THR A 57 167.645 -8.172 4.853 1.00 0.00 O ATOM 801 CG2 THR A 57 169.226 -9.492 3.689 1.00 0.00 C ATOM 0 H THR A 57 171.609 -8.199 3.956 1.00 0.00 H new ATOM 0 HA THR A 57 169.572 -6.242 4.837 1.00 0.00 H new ATOM 0 HB THR A 57 168.596 -7.541 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 57 167.897 -8.482 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 57 168.403 -10.006 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 57 170.088 -9.458 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.493 -10.029 4.599 1.00 0.00 H new ATOM 809 N LYS A 58 171.364 -7.701 6.631 1.00 0.00 N ATOM 810 CA LYS A 58 171.723 -8.193 7.956 1.00 0.00 C ATOM 811 C LYS A 58 172.834 -7.342 8.567 1.00 0.00 C ATOM 812 O LYS A 58 174.016 -7.644 8.412 1.00 0.00 O ATOM 813 CB LYS A 58 172.170 -9.655 7.877 1.00 0.00 C ATOM 814 CG LYS A 58 171.738 -10.490 9.071 1.00 0.00 C ATOM 815 CD LYS A 58 172.598 -11.733 9.221 1.00 0.00 C ATOM 816 CE LYS A 58 171.976 -12.929 8.518 1.00 0.00 C ATOM 817 NZ LYS A 58 170.895 -13.551 9.331 1.00 0.00 N ATOM 0 H LYS A 58 172.129 -7.252 6.127 1.00 0.00 H new ATOM 0 HA LYS A 58 170.842 -8.124 8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 58 171.766 -10.101 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 173.256 -9.690 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 58 171.803 -9.890 9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 58 170.694 -10.780 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 58 173.589 -11.543 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.730 -11.960 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 171.571 -12.614 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 58 172.748 -13.671 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 170.497 -14.363 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 171.286 -13.874 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 170.146 -12.851 9.506 1.00 0.00 H new ATOM 831 N PRO A 59 172.466 -6.256 9.270 1.00 0.00 N ATOM 832 CA PRO A 59 173.437 -5.355 9.900 1.00 0.00 C ATOM 833 C PRO A 59 174.395 -6.082 10.834 1.00 0.00 C ATOM 834 O PRO A 59 174.203 -7.254 11.156 1.00 0.00 O ATOM 835 CB PRO A 59 172.564 -4.390 10.708 1.00 0.00 C ATOM 836 CG PRO A 59 171.238 -4.420 10.035 1.00 0.00 C ATOM 837 CD PRO A 59 171.076 -5.817 9.500 1.00 0.00 C ATOM 0 HA PRO A 59 174.068 -4.871 9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.486 -4.704 11.749 1.00 0.00 H new ATOM 0 HB3 PRO A 59 172.984 -3.384 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.439 -4.175 10.735 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.192 -3.686 9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.563 -6.463 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.493 -5.830 8.579 1.00 0.00 H new ATOM 845 N LYS A 60 175.415 -5.361 11.279 1.00 0.00 N ATOM 846 CA LYS A 60 176.404 -5.909 12.200 1.00 0.00 C ATOM 847 C LYS A 60 176.218 -5.291 13.581 1.00 0.00 C ATOM 848 O LYS A 60 177.175 -5.112 14.333 1.00 0.00 O ATOM 849 CB LYS A 60 177.822 -5.643 11.689 1.00 0.00 C ATOM 850 CG LYS A 60 178.862 -6.589 12.266 1.00 0.00 C ATOM 851 CD LYS A 60 178.738 -7.986 11.675 1.00 0.00 C ATOM 852 CE LYS A 60 178.319 -9.001 12.726 1.00 0.00 C ATOM 853 NZ LYS A 60 176.842 -9.194 12.756 1.00 0.00 N ATOM 0 H LYS A 60 175.580 -4.390 11.016 1.00 0.00 H new ATOM 0 HA LYS A 60 176.261 -6.988 12.267 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.830 -5.727 10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.101 -4.618 11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 60 179.860 -6.197 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.747 -6.640 13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 60 178.008 -7.976 10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 60 179.692 -8.284 11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 60 178.805 -9.955 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 60 178.662 -8.670 13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 176.626 -10.184 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 176.425 -8.568 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 176.443 -8.966 11.823 1.00 0.00 H new ATOM 867 N GLU A 61 174.967 -4.961 13.892 1.00 0.00 N ATOM 868 CA GLU A 61 174.606 -4.348 15.166 1.00 0.00 C ATOM 869 C GLU A 61 174.875 -2.849 15.137 1.00 0.00 C ATOM 870 O GLU A 61 175.984 -2.384 15.396 1.00 0.00 O ATOM 871 CB GLU A 61 175.317 -5.056 16.342 1.00 0.00 C ATOM 872 CG GLU A 61 176.435 -4.262 17.006 1.00 0.00 C ATOM 873 CD GLU A 61 177.093 -5.022 18.141 1.00 0.00 C ATOM 874 OE1 GLU A 61 177.146 -6.267 18.071 1.00 0.00 O ATOM 875 OE2 GLU A 61 177.553 -4.370 19.102 1.00 0.00 O ATOM 0 H GLU A 61 174.175 -5.111 13.267 1.00 0.00 H new ATOM 0 HA GLU A 61 173.535 -4.476 15.325 1.00 0.00 H new ATOM 0 HB2 GLU A 61 174.572 -5.303 17.098 1.00 0.00 H new ATOM 0 HB3 GLU A 61 175.729 -5.998 15.980 1.00 0.00 H new ATOM 0 HG2 GLU A 61 177.187 -4.007 16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.033 -3.323 17.387 1.00 0.00 H new ATOM 882 N GLY A 62 173.839 -2.096 14.783 1.00 0.00 N ATOM 883 CA GLY A 62 173.962 -0.659 14.691 1.00 0.00 C ATOM 884 C GLY A 62 174.797 -0.232 13.501 1.00 0.00 C ATOM 885 O GLY A 62 174.896 0.958 13.201 1.00 0.00 O ATOM 0 H GLY A 62 172.913 -2.461 14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 62 172.969 -0.215 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.413 -0.275 15.606 1.00 0.00 H new ATOM 889 N ARG A 63 175.400 -1.200 12.813 1.00 0.00 N ATOM 890 CA ARG A 63 176.224 -0.889 11.651 1.00 0.00 C ATOM 891 C ARG A 63 176.359 -2.080 10.717 1.00 0.00 C ATOM 892 O ARG A 63 176.624 -3.195 11.160 1.00 0.00 O ATOM 893 CB ARG A 63 177.607 -0.415 12.096 1.00 0.00 C ATOM 894 CG ARG A 63 178.251 -1.312 13.141 1.00 0.00 C ATOM 895 CD ARG A 63 179.767 -1.219 13.098 1.00 0.00 C ATOM 896 NE ARG A 63 180.404 -2.277 13.879 1.00 0.00 N ATOM 897 CZ ARG A 63 181.708 -2.536 13.854 1.00 0.00 C ATOM 898 NH1 ARG A 63 182.520 -1.816 13.091 1.00 0.00 N ATOM 899 NH2 ARG A 63 182.203 -3.518 14.596 1.00 0.00 N ATOM 0 H ARG A 63 175.334 -2.193 13.037 1.00 0.00 H new ATOM 0 HA ARG A 63 175.726 -0.091 11.101 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.260 -0.359 11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 63 177.524 0.595 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 63 177.896 -1.030 14.132 1.00 0.00 H new ATOM 0 HG3 ARG A 63 177.944 -2.345 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 63 180.104 -1.279 12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 63 180.081 -0.248 13.480 1.00 0.00 H new ATOM 0 HE ARG A 63 179.813 -2.852 14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 63 182.145 -1.059 12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 63 183.519 -2.019 13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 63 181.583 -4.074 15.185 1.00 0.00 H new ATOM 0 HH22 ARG A 63 183.203 -3.717 14.577 1.00 0.00 H new ATOM 913 N TRP A 64 176.208 -1.837 9.418 1.00 0.00 N ATOM 914 CA TRP A 64 176.346 -2.894 8.436 1.00 0.00 C ATOM 915 C TRP A 64 177.812 -3.062 8.067 1.00 0.00 C ATOM 916 O TRP A 64 178.605 -2.126 8.191 1.00 0.00 O ATOM 917 CB TRP A 64 175.533 -2.588 7.183 1.00 0.00 C ATOM 918 CG TRP A 64 174.126 -2.143 7.454 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.733 -1.024 8.129 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.921 -2.808 7.050 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.363 -0.954 8.170 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.841 -2.035 7.515 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.650 -3.983 6.340 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.514 -2.394 7.293 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.331 -4.340 6.123 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.278 -3.547 6.598 1.00 0.00 C ATOM 0 H TRP A 64 175.991 -0.920 9.028 1.00 0.00 H new ATOM 0 HA TRP A 64 175.968 -3.818 8.872 1.00 0.00 H new ATOM 0 HB2 TRP A 64 176.044 -1.812 6.613 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.506 -3.479 6.555 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.403 -0.299 8.567 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.821 -0.214 8.617 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.455 -4.599 5.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.701 -1.783 7.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.109 -5.246 5.578 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.259 -3.853 6.411 1.00 0.00 H new ATOM 937 N THR A 65 178.167 -4.255 7.619 1.00 0.00 N ATOM 938 CA THR A 65 179.545 -4.546 7.241 1.00 0.00 C ATOM 939 C THR A 65 179.616 -5.292 5.914 1.00 0.00 C ATOM 940 O THR A 65 179.428 -6.508 5.863 1.00 0.00 O ATOM 941 CB THR A 65 180.230 -5.366 8.335 1.00 0.00 C ATOM 942 OG1 THR A 65 179.819 -4.931 9.619 1.00 0.00 O ATOM 943 CG2 THR A 65 181.740 -5.288 8.284 1.00 0.00 C ATOM 0 H THR A 65 177.523 -5.038 7.507 1.00 0.00 H new ATOM 0 HA THR A 65 180.064 -3.595 7.121 1.00 0.00 H new ATOM 0 HB THR A 65 179.930 -6.398 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.543 -5.081 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.163 -5.892 9.087 1.00 0.00 H new ATOM 0 HG22 THR A 65 182.092 -5.664 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.055 -4.252 8.405 1.00 0.00 H new ATOM 951 N PHE A 66 179.910 -4.562 4.845 1.00 0.00 N ATOM 952 CA PHE A 66 180.028 -5.165 3.524 1.00 0.00 C ATOM 953 C PHE A 66 181.491 -5.475 3.223 1.00 0.00 C ATOM 954 O PHE A 66 182.384 -4.720 3.607 1.00 0.00 O ATOM 955 CB PHE A 66 179.453 -4.237 2.451 1.00 0.00 C ATOM 956 CG PHE A 66 179.681 -4.726 1.048 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.182 -5.952 0.638 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.396 -3.961 0.140 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.394 -6.407 -0.650 1.00 0.00 C ATOM 960 CE2 PHE A 66 180.612 -4.411 -1.148 1.00 0.00 C ATOM 961 CZ PHE A 66 180.109 -5.635 -1.544 1.00 0.00 C ATOM 0 H PHE A 66 180.071 -3.555 4.867 1.00 0.00 H new ATOM 0 HA PHE A 66 179.457 -6.093 3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.382 -4.123 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.900 -3.249 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.621 -6.559 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.789 -3.002 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.001 -7.365 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 66 181.174 -3.806 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.275 -5.988 -2.551 1.00 0.00 H new ATOM 971 N ARG A 67 181.733 -6.591 2.546 1.00 0.00 N ATOM 972 CA ARG A 67 183.094 -6.992 2.212 1.00 0.00 C ATOM 973 C ARG A 67 183.154 -7.677 0.853 1.00 0.00 C ATOM 974 O ARG A 67 182.236 -8.402 0.468 1.00 0.00 O ATOM 975 CB ARG A 67 183.650 -7.925 3.289 1.00 0.00 C ATOM 976 CG ARG A 67 183.905 -7.238 4.620 1.00 0.00 C ATOM 977 CD ARG A 67 184.350 -8.229 5.684 1.00 0.00 C ATOM 978 NE ARG A 67 183.215 -8.853 6.358 1.00 0.00 N ATOM 979 CZ ARG A 67 183.291 -9.996 7.038 1.00 0.00 C ATOM 980 NH1 ARG A 67 184.448 -10.641 7.138 1.00 0.00 N ATOM 981 NH2 ARG A 67 182.210 -10.494 7.620 1.00 0.00 N ATOM 0 H ARG A 67 181.009 -7.231 2.219 1.00 0.00 H new ATOM 0 HA ARG A 67 183.704 -6.090 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 67 182.950 -8.746 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.582 -8.363 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.669 -6.471 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 67 182.997 -6.733 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.968 -9.001 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 67 184.972 -7.717 6.419 1.00 0.00 H new ATOM 0 HE ARG A 67 182.310 -8.386 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 67 185.284 -10.261 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 67 184.501 -11.516 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 67 181.319 -10.002 7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 67 182.268 -11.369 8.141 1.00 0.00 H new ATOM 995 N ASP A 68 184.249 -7.448 0.136 1.00 0.00 N ATOM 996 CA ASP A 68 184.446 -8.045 -1.179 1.00 0.00 C ATOM 997 C ASP A 68 185.883 -8.532 -1.334 1.00 0.00 C ATOM 998 O ASP A 68 186.789 -7.744 -1.598 1.00 0.00 O ATOM 999 CB ASP A 68 184.115 -7.033 -2.278 1.00 0.00 C ATOM 1000 CG ASP A 68 184.025 -7.677 -3.648 1.00 0.00 C ATOM 1001 OD1 ASP A 68 184.570 -8.786 -3.821 1.00 0.00 O ATOM 1002 OD2 ASP A 68 183.405 -7.071 -4.548 1.00 0.00 O ATOM 0 H ASP A 68 185.016 -6.851 0.445 1.00 0.00 H new ATOM 0 HA ASP A 68 183.775 -8.899 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.168 -6.545 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.879 -6.255 -2.294 1.00 0.00 H new ATOM 1007 N ARG A 69 186.083 -9.836 -1.159 1.00 0.00 N ATOM 1008 CA ARG A 69 187.412 -10.435 -1.269 1.00 0.00 C ATOM 1009 C ARG A 69 187.720 -10.867 -2.703 1.00 0.00 C ATOM 1010 O ARG A 69 188.567 -11.732 -2.927 1.00 0.00 O ATOM 1011 CB ARG A 69 187.526 -11.638 -0.331 1.00 0.00 C ATOM 1012 CG ARG A 69 186.966 -11.378 1.061 1.00 0.00 C ATOM 1013 CD ARG A 69 187.903 -11.889 2.145 1.00 0.00 C ATOM 1014 NE ARG A 69 187.182 -12.263 3.360 1.00 0.00 N ATOM 1015 CZ ARG A 69 187.756 -12.393 4.554 1.00 0.00 C ATOM 1016 NH1 ARG A 69 189.059 -12.180 4.698 1.00 0.00 N ATOM 1017 NH2 ARG A 69 187.028 -12.736 5.607 1.00 0.00 N ATOM 0 H ARG A 69 185.340 -10.500 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 69 188.140 -9.677 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 69 187.001 -12.484 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.574 -11.923 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 69 186.803 -10.309 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 69 185.995 -11.863 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 69 188.454 -12.751 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 69 188.638 -11.119 2.382 1.00 0.00 H new ATOM 0 HE ARG A 69 186.179 -12.435 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 69 189.625 -11.915 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 69 189.494 -12.281 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 69 186.027 -12.901 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 69 187.469 -12.835 6.521 1.00 0.00 H new ATOM 1031 N ASN A 70 187.031 -10.266 -3.669 1.00 0.00 N ATOM 1032 CA ASN A 70 187.240 -10.599 -5.073 1.00 0.00 C ATOM 1033 C ASN A 70 187.237 -9.340 -5.935 1.00 0.00 C ATOM 1034 O ASN A 70 186.812 -9.366 -7.090 1.00 0.00 O ATOM 1035 CB ASN A 70 186.157 -11.569 -5.552 1.00 0.00 C ATOM 1036 CG ASN A 70 186.712 -12.944 -5.870 1.00 0.00 C ATOM 1037 OD1 ASN A 70 187.734 -13.356 -5.320 1.00 0.00 O ATOM 1038 ND2 ASN A 70 186.040 -13.664 -6.760 1.00 0.00 N ATOM 0 H ASN A 70 186.325 -9.548 -3.505 1.00 0.00 H new ATOM 0 HA ASN A 70 188.214 -11.079 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.388 -11.659 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.674 -11.161 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 70 186.366 -14.597 -7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 70 185.198 -13.284 -7.192 1.00 0.00 H new ATOM 1045 N ALA A 71 187.714 -8.239 -5.366 1.00 0.00 N ATOM 1046 CA ALA A 71 187.765 -6.971 -6.081 1.00 0.00 C ATOM 1047 C ALA A 71 189.187 -6.645 -6.525 1.00 0.00 C ATOM 1048 O ALA A 71 190.122 -6.692 -5.726 1.00 0.00 O ATOM 1049 CB ALA A 71 187.214 -5.854 -5.208 1.00 0.00 C ATOM 0 H ALA A 71 188.071 -8.200 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 71 187.147 -7.061 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.257 -4.911 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.179 -6.074 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 71 187.810 -5.775 -4.299 1.00 0.00 H new ATOM 1055 N LYS A 72 189.341 -6.315 -7.802 1.00 0.00 N ATOM 1056 CA LYS A 72 190.652 -5.980 -8.351 1.00 0.00 C ATOM 1057 C LYS A 72 191.019 -4.535 -8.035 1.00 0.00 C ATOM 1058 O LYS A 72 190.827 -3.640 -8.858 1.00 0.00 O ATOM 1059 CB LYS A 72 190.667 -6.203 -9.863 1.00 0.00 C ATOM 1060 CG LYS A 72 192.019 -5.932 -10.503 1.00 0.00 C ATOM 1061 CD LYS A 72 191.875 -5.560 -11.970 1.00 0.00 C ATOM 1062 CE LYS A 72 191.900 -4.053 -12.171 1.00 0.00 C ATOM 1063 NZ LYS A 72 190.578 -3.532 -12.621 1.00 0.00 N ATOM 0 H LYS A 72 188.577 -6.272 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 72 191.391 -6.634 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.374 -7.232 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 72 189.920 -5.558 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 72 192.520 -5.125 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.650 -6.816 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 72 192.682 -6.017 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 72 190.940 -5.964 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 72 192.184 -3.567 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 72 192.661 -3.797 -12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 190.636 -2.501 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 190.319 -3.977 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 189.856 -3.754 -11.906 1.00 0.00 H new ATOM 1077 N LEU A 73 191.551 -4.313 -6.836 1.00 0.00 N ATOM 1078 CA LEU A 73 191.947 -2.976 -6.412 1.00 0.00 C ATOM 1079 C LEU A 73 193.460 -2.804 -6.503 1.00 0.00 C ATOM 1080 O LEU A 73 194.218 -3.544 -5.875 1.00 0.00 O ATOM 1081 CB LEU A 73 191.477 -2.711 -4.980 1.00 0.00 C ATOM 1082 CG LEU A 73 190.008 -3.050 -4.707 1.00 0.00 C ATOM 1083 CD1 LEU A 73 189.897 -4.165 -3.679 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.252 -1.815 -4.240 1.00 0.00 C ATOM 0 H LEU A 73 191.717 -5.042 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 73 191.476 -2.255 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.100 -3.288 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.640 -1.658 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 73 189.558 -3.397 -5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 188.846 -4.391 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.401 -5.056 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.365 -3.848 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.211 -2.076 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.704 -1.437 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.299 -1.046 -5.011 1.00 0.00 H new ATOM 1096 N LYS A 74 193.893 -1.824 -7.289 1.00 0.00 N ATOM 1097 CA LYS A 74 195.317 -1.556 -7.462 1.00 0.00 C ATOM 1098 C LYS A 74 195.707 -0.236 -6.808 1.00 0.00 C ATOM 1099 O LYS A 74 194.925 0.714 -6.786 1.00 0.00 O ATOM 1100 CB LYS A 74 195.675 -1.527 -8.949 1.00 0.00 C ATOM 1101 CG LYS A 74 195.869 -2.908 -9.556 1.00 0.00 C ATOM 1102 CD LYS A 74 194.856 -3.186 -10.656 1.00 0.00 C ATOM 1103 CE LYS A 74 195.260 -4.386 -11.501 1.00 0.00 C ATOM 1104 NZ LYS A 74 195.388 -4.032 -12.942 1.00 0.00 N ATOM 0 H LYS A 74 193.279 -1.203 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 74 195.873 -2.358 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 74 194.887 -1.007 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.589 -0.949 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 74 196.878 -2.989 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.777 -3.664 -8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 74 193.877 -3.366 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 74 194.760 -2.307 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 74 196.209 -4.782 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 74 194.519 -5.177 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 195.159 -4.862 -13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 194.732 -3.258 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 196.363 -3.729 -13.140 1.00 0.00 H new ATOM 1118 N LEU A 75 196.922 -0.185 -6.274 1.00 0.00 N ATOM 1119 CA LEU A 75 197.421 1.017 -5.617 1.00 0.00 C ATOM 1120 C LEU A 75 197.425 2.202 -6.577 1.00 0.00 C ATOM 1121 O LEU A 75 197.869 2.089 -7.718 1.00 0.00 O ATOM 1122 CB LEU A 75 198.833 0.777 -5.077 1.00 0.00 C ATOM 1123 CG LEU A 75 199.126 1.407 -3.713 1.00 0.00 C ATOM 1124 CD1 LEU A 75 200.054 0.517 -2.901 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.731 2.793 -3.887 1.00 0.00 C ATOM 0 H LEU A 75 197.581 -0.964 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 75 196.755 1.250 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.000 -0.298 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.552 1.164 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 75 198.186 1.506 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.251 0.982 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.584 -0.455 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 75 200.993 0.385 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.933 3.227 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.662 2.716 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 75 199.032 3.430 -4.429 1.00 0.00 H new ATOM 1137 N GLY A 76 196.919 3.335 -6.104 1.00 0.00 N ATOM 1138 CA GLY A 76 196.864 4.523 -6.931 1.00 0.00 C ATOM 1139 C GLY A 76 195.473 4.777 -7.468 1.00 0.00 C ATOM 1140 O GLY A 76 195.093 5.921 -7.718 1.00 0.00 O ATOM 0 H GLY A 76 196.546 3.451 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.191 5.385 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.560 4.418 -7.763 1.00 0.00 H new ATOM 1144 N ASP A 77 194.712 3.703 -7.646 1.00 0.00 N ATOM 1145 CA ASP A 77 193.358 3.803 -8.154 1.00 0.00 C ATOM 1146 C ASP A 77 192.478 4.621 -7.215 1.00 0.00 C ATOM 1147 O ASP A 77 192.822 4.837 -6.050 1.00 0.00 O ATOM 1148 CB ASP A 77 192.763 2.408 -8.349 1.00 0.00 C ATOM 1149 CG ASP A 77 191.533 2.423 -9.234 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.465 2.864 -8.760 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.638 1.994 -10.402 1.00 0.00 O ATOM 0 H ASP A 77 195.016 2.751 -7.443 1.00 0.00 H new ATOM 0 HA ASP A 77 193.395 4.313 -9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.515 1.753 -8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.503 1.988 -7.377 1.00 0.00 H new ATOM 1156 N LYS A 78 191.337 5.067 -7.730 1.00 0.00 N ATOM 1157 CA LYS A 78 190.398 5.859 -6.947 1.00 0.00 C ATOM 1158 C LYS A 78 189.032 5.185 -6.911 1.00 0.00 C ATOM 1159 O LYS A 78 188.703 4.379 -7.782 1.00 0.00 O ATOM 1160 CB LYS A 78 190.273 7.268 -7.533 1.00 0.00 C ATOM 1161 CG LYS A 78 189.547 8.245 -6.625 1.00 0.00 C ATOM 1162 CD LYS A 78 190.378 8.590 -5.398 1.00 0.00 C ATOM 1163 CE LYS A 78 191.244 9.814 -5.640 1.00 0.00 C ATOM 1164 NZ LYS A 78 191.476 10.587 -4.388 1.00 0.00 N ATOM 0 H LYS A 78 191.040 4.892 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 78 190.777 5.934 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.270 7.654 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.746 7.210 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.318 9.156 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 78 188.596 7.814 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 78 189.718 8.771 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 191.010 7.742 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 192.202 9.504 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.766 10.456 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.071 11.414 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 190.564 10.905 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 191.955 9.982 -3.690 1.00 0.00 H new ATOM 1178 N ILE A 79 188.246 5.507 -5.892 1.00 0.00 N ATOM 1179 CA ILE A 79 186.920 4.921 -5.729 1.00 0.00 C ATOM 1180 C ILE A 79 185.808 5.955 -5.905 1.00 0.00 C ATOM 1181 O ILE A 79 185.947 7.114 -5.514 1.00 0.00 O ATOM 1182 CB ILE A 79 186.780 4.190 -4.375 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.050 2.697 -4.568 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.399 4.396 -3.763 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.520 2.361 -4.696 1.00 0.00 C ATOM 0 H ILE A 79 188.504 6.173 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 79 186.809 4.182 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 79 187.512 4.612 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.632 2.148 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.528 2.354 -5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.340 3.867 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.230 5.460 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.639 4.009 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.637 1.286 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 79 188.939 2.882 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.045 2.673 -3.793 1.00 0.00 H new ATOM 1197 N TYR A 80 184.691 5.504 -6.464 1.00 0.00 N ATOM 1198 CA TYR A 80 183.518 6.348 -6.667 1.00 0.00 C ATOM 1199 C TYR A 80 182.266 5.505 -6.458 1.00 0.00 C ATOM 1200 O TYR A 80 182.081 4.496 -7.139 1.00 0.00 O ATOM 1201 CB TYR A 80 183.528 6.962 -8.068 1.00 0.00 C ATOM 1202 CG TYR A 80 184.268 8.278 -8.140 1.00 0.00 C ATOM 1203 CD1 TYR A 80 185.645 8.313 -8.316 1.00 0.00 C ATOM 1204 CD2 TYR A 80 183.590 9.486 -8.029 1.00 0.00 C ATOM 1205 CE1 TYR A 80 186.325 9.514 -8.380 1.00 0.00 C ATOM 1206 CE2 TYR A 80 184.263 10.691 -8.091 1.00 0.00 C ATOM 1207 CZ TYR A 80 185.630 10.699 -8.267 1.00 0.00 C ATOM 1208 OH TYR A 80 186.304 11.897 -8.329 1.00 0.00 O ATOM 0 H TYR A 80 184.572 4.544 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 80 183.531 7.168 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.986 6.257 -8.762 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.500 7.113 -8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 80 186.193 7.387 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 80 182.519 9.483 -7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 80 187.396 9.524 -8.518 1.00 0.00 H new ATOM 0 HE2 TYR A 80 183.721 11.621 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 80 185.667 12.636 -8.234 1.00 0.00 H new ATOM 1218 N PHE A 81 181.422 5.882 -5.499 1.00 0.00 N ATOM 1219 CA PHE A 81 180.230 5.089 -5.222 1.00 0.00 C ATOM 1220 C PHE A 81 179.082 5.896 -4.643 1.00 0.00 C ATOM 1221 O PHE A 81 179.160 7.112 -4.462 1.00 0.00 O ATOM 1222 CB PHE A 81 180.567 3.974 -4.229 1.00 0.00 C ATOM 1223 CG PHE A 81 181.330 4.446 -3.019 1.00 0.00 C ATOM 1224 CD1 PHE A 81 180.775 5.381 -2.157 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.593 3.952 -2.740 1.00 0.00 C ATOM 1226 CE1 PHE A 81 181.467 5.812 -1.042 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.289 4.383 -1.624 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.725 5.314 -0.776 1.00 0.00 C ATOM 0 H PHE A 81 181.537 6.710 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 81 179.908 4.692 -6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.642 3.501 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.152 3.210 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 81 179.791 5.776 -2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 81 183.040 3.223 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 81 181.023 6.539 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.274 3.991 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.268 5.652 0.094 1.00 0.00 H new ATOM 1238 N TRP A 82 178.029 5.159 -4.320 1.00 0.00 N ATOM 1239 CA TRP A 82 176.826 5.702 -3.709 1.00 0.00 C ATOM 1240 C TRP A 82 176.172 4.604 -2.882 1.00 0.00 C ATOM 1241 O TRP A 82 175.909 3.514 -3.392 1.00 0.00 O ATOM 1242 CB TRP A 82 175.857 6.248 -4.763 1.00 0.00 C ATOM 1243 CG TRP A 82 175.305 5.212 -5.697 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.882 4.759 -6.845 1.00 0.00 C ATOM 1245 CD2 TRP A 82 174.058 4.517 -5.573 1.00 0.00 C ATOM 1246 NE1 TRP A 82 175.075 3.824 -7.444 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.948 3.655 -6.681 1.00 0.00 C ATOM 1248 CE3 TRP A 82 173.025 4.537 -4.632 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.847 2.824 -6.873 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.932 3.711 -4.824 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.852 2.865 -5.936 1.00 0.00 C ATOM 0 H TRP A 82 177.987 4.152 -4.478 1.00 0.00 H new ATOM 0 HA TRP A 82 177.093 6.541 -3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.027 6.740 -4.255 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.370 7.011 -5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.837 5.088 -7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.280 3.334 -8.315 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.079 5.186 -3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.781 2.171 -7.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.127 3.719 -4.104 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.986 2.231 -6.057 1.00 0.00 H new ATOM 1262 N THR A 83 175.929 4.874 -1.605 1.00 0.00 N ATOM 1263 CA THR A 83 175.330 3.869 -0.732 1.00 0.00 C ATOM 1264 C THR A 83 173.851 4.119 -0.563 1.00 0.00 C ATOM 1265 O THR A 83 173.413 5.252 -0.610 1.00 0.00 O ATOM 1266 CB THR A 83 176.008 3.855 0.635 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.984 5.142 1.221 1.00 0.00 O ATOM 1268 CG2 THR A 83 177.448 3.396 0.582 1.00 0.00 C ATOM 0 H THR A 83 176.133 5.766 -1.155 1.00 0.00 H new ATOM 0 HA THR A 83 175.474 2.897 -1.203 1.00 0.00 H new ATOM 0 HB THR A 83 175.440 3.142 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.422 5.111 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.871 3.409 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 83 177.492 2.383 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 83 178.020 4.065 -0.061 1.00 0.00 H new ATOM 1276 N TYR A 84 173.090 3.052 -0.375 1.00 0.00 N ATOM 1277 CA TYR A 84 171.650 3.162 -0.215 1.00 0.00 C ATOM 1278 C TYR A 84 171.189 2.450 1.051 1.00 0.00 C ATOM 1279 O TYR A 84 171.865 1.552 1.549 1.00 0.00 O ATOM 1280 CB TYR A 84 170.954 2.561 -1.435 1.00 0.00 C ATOM 1281 CG TYR A 84 169.478 2.877 -1.520 1.00 0.00 C ATOM 1282 CD1 TYR A 84 169.007 4.157 -1.259 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.558 1.896 -1.865 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.658 4.450 -1.337 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.208 2.182 -1.947 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.763 3.459 -1.683 1.00 0.00 C ATOM 1287 OH TYR A 84 165.420 3.749 -1.763 1.00 0.00 O ATOM 0 H TYR A 84 173.448 2.098 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 84 171.388 4.216 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.445 2.926 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.083 1.479 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.705 4.936 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 84 168.903 0.894 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 84 167.307 5.450 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.505 1.408 -2.217 1.00 0.00 H new ATOM 0 HH TYR A 84 164.926 2.942 -2.019 1.00 0.00 H new ATOM 1297 N VAL A 85 170.032 2.853 1.558 1.00 0.00 N ATOM 1298 CA VAL A 85 169.471 2.250 2.762 1.00 0.00 C ATOM 1299 C VAL A 85 167.951 2.193 2.658 1.00 0.00 C ATOM 1300 O VAL A 85 167.357 2.884 1.835 1.00 0.00 O ATOM 1301 CB VAL A 85 169.892 3.017 4.052 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.643 4.293 3.711 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.698 3.345 4.946 1.00 0.00 C ATOM 0 H VAL A 85 169.462 3.596 1.154 1.00 0.00 H new ATOM 0 HA VAL A 85 169.870 1.239 2.839 1.00 0.00 H new ATOM 0 HB VAL A 85 170.553 2.350 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 85 170.924 4.807 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.541 4.046 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.004 4.943 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.042 3.879 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 85 167.993 3.969 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.205 2.421 5.248 1.00 0.00 H new ATOM 1313 N ILE A 86 167.332 1.376 3.506 1.00 0.00 N ATOM 1314 CA ILE A 86 165.876 1.241 3.522 1.00 0.00 C ATOM 1315 C ILE A 86 165.356 1.180 4.946 1.00 0.00 C ATOM 1316 O ILE A 86 165.509 0.165 5.619 1.00 0.00 O ATOM 1317 CB ILE A 86 165.404 -0.024 2.788 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.038 -0.102 1.407 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.885 -0.044 2.683 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.552 0.957 0.450 1.00 0.00 C ATOM 0 H ILE A 86 167.815 0.796 4.192 1.00 0.00 H new ATOM 0 HA ILE A 86 165.482 2.119 3.010 1.00 0.00 H new ATOM 0 HB ILE A 86 165.719 -0.896 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.120 -0.016 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.835 -1.084 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.568 -0.947 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.451 -0.032 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.547 0.833 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.050 0.835 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.475 0.859 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.779 1.944 0.853 1.00 0.00 H new ATOM 1332 N LYS A 87 164.738 2.267 5.389 1.00 0.00 N ATOM 1333 CA LYS A 87 164.183 2.341 6.734 1.00 0.00 C ATOM 1334 C LYS A 87 162.664 2.197 6.700 1.00 0.00 C ATOM 1335 O LYS A 87 161.933 3.107 7.091 1.00 0.00 O ATOM 1336 CB LYS A 87 164.570 3.664 7.397 1.00 0.00 C ATOM 1337 CG LYS A 87 164.289 3.702 8.891 1.00 0.00 C ATOM 1338 CD LYS A 87 165.196 4.692 9.604 1.00 0.00 C ATOM 1339 CE LYS A 87 164.452 5.443 10.698 1.00 0.00 C ATOM 1340 NZ LYS A 87 165.260 5.556 11.944 1.00 0.00 N ATOM 0 H LYS A 87 164.608 3.113 4.834 1.00 0.00 H new ATOM 0 HA LYS A 87 164.596 1.519 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.632 3.847 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.027 4.476 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 87 163.247 3.975 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 87 164.430 2.708 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 166.045 4.163 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 87 165.599 5.403 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 87 164.193 6.440 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 87 163.516 4.930 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 164.732 5.142 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 166.159 5.047 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 165.454 6.558 12.142 1.00 0.00 H new ATOM 1354 N ASP A 88 162.194 1.043 6.229 1.00 0.00 N ATOM 1355 CA ASP A 88 160.762 0.772 6.140 1.00 0.00 C ATOM 1356 C ASP A 88 160.114 1.592 5.027 1.00 0.00 C ATOM 1357 O ASP A 88 159.278 2.459 5.288 1.00 0.00 O ATOM 1358 CB ASP A 88 160.076 1.067 7.478 1.00 0.00 C ATOM 1359 CG ASP A 88 158.929 0.118 7.761 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.337 -0.406 6.792 1.00 0.00 O ATOM 1361 OD2 ASP A 88 158.622 -0.104 8.950 1.00 0.00 O ATOM 0 H ASP A 88 162.787 0.280 5.903 1.00 0.00 H new ATOM 0 HA ASP A 88 160.637 -0.285 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.809 0.997 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 88 159.704 2.091 7.474 1.00 0.00 H new ATOM 1366 N GLY A 89 160.500 1.309 3.787 1.00 0.00 N ATOM 1367 CA GLY A 89 159.943 2.024 2.653 1.00 0.00 C ATOM 1368 C GLY A 89 160.402 3.470 2.593 1.00 0.00 C ATOM 1369 O GLY A 89 159.689 4.332 2.080 1.00 0.00 O ATOM 0 H GLY A 89 161.189 0.597 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.230 1.517 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.855 1.994 2.708 1.00 0.00 H new ATOM 1373 N LEU A 90 161.594 3.730 3.116 1.00 0.00 N ATOM 1374 CA LEU A 90 162.153 5.079 3.122 1.00 0.00 C ATOM 1375 C LEU A 90 163.656 5.026 2.921 1.00 0.00 C ATOM 1376 O LEU A 90 164.430 5.141 3.873 1.00 0.00 O ATOM 1377 CB LEU A 90 161.819 5.782 4.434 1.00 0.00 C ATOM 1378 CG LEU A 90 160.417 5.496 4.951 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.276 5.934 6.402 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.385 6.185 4.074 1.00 0.00 C ATOM 0 H LEU A 90 162.194 3.024 3.542 1.00 0.00 H new ATOM 0 HA LEU A 90 161.712 5.644 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.543 5.479 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 90 161.932 6.857 4.297 1.00 0.00 H new ATOM 0 HG LEU A 90 160.244 4.421 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.266 5.720 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 90 160.994 5.392 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.467 7.004 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.385 5.973 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.557 7.261 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.471 5.815 3.052 1.00 0.00 H new ATOM 1392 N GLY A 91 164.058 4.821 1.680 1.00 0.00 N ATOM 1393 CA GLY A 91 165.457 4.719 1.367 1.00 0.00 C ATOM 1394 C GLY A 91 166.153 6.047 1.154 1.00 0.00 C ATOM 1395 O GLY A 91 165.523 7.061 0.849 1.00 0.00 O ATOM 0 H GLY A 91 163.432 4.723 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 91 165.959 4.186 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.572 4.115 0.467 1.00 0.00 H new ATOM 1399 N TYR A 92 167.471 6.015 1.307 1.00 0.00 N ATOM 1400 CA TYR A 92 168.321 7.189 1.132 1.00 0.00 C ATOM 1401 C TYR A 92 169.712 6.740 0.704 1.00 0.00 C ATOM 1402 O TYR A 92 170.148 5.652 1.081 1.00 0.00 O ATOM 1403 CB TYR A 92 168.405 7.989 2.433 1.00 0.00 C ATOM 1404 CG TYR A 92 167.054 8.355 3.007 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.370 9.479 2.565 1.00 0.00 C ATOM 1406 CD2 TYR A 92 166.463 7.572 3.991 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.135 9.814 3.086 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.229 7.901 4.518 1.00 0.00 C ATOM 1409 CZ TYR A 92 164.570 9.022 4.063 1.00 0.00 C ATOM 1410 OH TYR A 92 163.340 9.353 4.585 1.00 0.00 O ATOM 0 H TYR A 92 167.984 5.170 1.557 1.00 0.00 H new ATOM 0 HA TYR A 92 167.891 7.831 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 92 168.959 7.409 3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 92 168.973 8.902 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.811 10.102 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 92 166.976 6.692 4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.615 10.691 2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 92 164.783 7.282 5.283 1.00 0.00 H new ATOM 0 HH TYR A 92 163.083 8.692 5.262 1.00 0.00 H new ATOM 1420 N ARG A 93 170.420 7.550 -0.088 1.00 0.00 N ATOM 1421 CA ARG A 93 171.742 7.154 -0.529 1.00 0.00 C ATOM 1422 C ARG A 93 172.780 8.244 -0.350 1.00 0.00 C ATOM 1423 O ARG A 93 172.478 9.436 -0.399 1.00 0.00 O ATOM 1424 CB ARG A 93 171.724 6.729 -1.995 1.00 0.00 C ATOM 1425 CG ARG A 93 171.396 7.862 -2.956 1.00 0.00 C ATOM 1426 CD ARG A 93 169.897 8.102 -3.047 1.00 0.00 C ATOM 1427 NE ARG A 93 169.572 9.527 -3.062 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.416 10.020 -3.500 1.00 0.00 C ATOM 1429 NH1 ARG A 93 167.471 9.207 -3.957 1.00 0.00 N ATOM 1430 NH2 ARG A 93 168.204 11.328 -3.482 1.00 0.00 N ATOM 0 H ARG A 93 170.103 8.459 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 93 172.024 6.313 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.697 6.314 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.992 5.932 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 93 171.892 8.775 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.788 7.626 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 93 169.508 7.632 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 93 169.401 7.626 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 93 170.273 10.183 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 93 167.629 8.199 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 93 166.587 9.590 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 93 168.927 11.957 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 93 167.318 11.706 -3.818 1.00 0.00 H new ATOM 1444 N GLN A 94 174.019 7.805 -0.180 1.00 0.00 N ATOM 1445 CA GLN A 94 175.144 8.703 -0.036 1.00 0.00 C ATOM 1446 C GLN A 94 175.968 8.649 -1.310 1.00 0.00 C ATOM 1447 O GLN A 94 177.012 7.997 -1.362 1.00 0.00 O ATOM 1448 CB GLN A 94 176.004 8.320 1.171 1.00 0.00 C ATOM 1449 CG GLN A 94 177.232 9.196 1.348 1.00 0.00 C ATOM 1450 CD GLN A 94 178.457 8.405 1.761 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.536 7.903 2.881 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.421 8.291 0.856 1.00 0.00 N ATOM 0 H GLN A 94 174.267 6.817 -0.139 1.00 0.00 H new ATOM 0 HA GLN A 94 174.779 9.716 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.395 8.377 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.321 7.282 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.439 9.718 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 94 177.025 9.958 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.313 8.724 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.270 7.770 1.078 1.00 0.00 H new ATOM 1461 N ASP A 95 175.460 9.308 -2.346 1.00 0.00 N ATOM 1462 CA ASP A 95 176.124 9.324 -3.642 1.00 0.00 C ATOM 1463 C ASP A 95 177.296 10.292 -3.651 1.00 0.00 C ATOM 1464 O ASP A 95 177.571 10.967 -2.659 1.00 0.00 O ATOM 1465 CB ASP A 95 175.131 9.703 -4.741 1.00 0.00 C ATOM 1466 CG ASP A 95 174.450 11.031 -4.475 1.00 0.00 C ATOM 1467 OD1 ASP A 95 175.163 12.016 -4.187 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.206 11.087 -4.557 1.00 0.00 O ATOM 0 H ASP A 95 174.589 9.838 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 95 176.508 8.322 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.653 9.751 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.376 8.922 -4.829 1.00 0.00 H new ATOM 1473 N ASN A 96 177.987 10.349 -4.784 1.00 0.00 N ATOM 1474 CA ASN A 96 179.136 11.229 -4.940 1.00 0.00 C ATOM 1475 C ASN A 96 180.257 10.844 -3.974 1.00 0.00 C ATOM 1476 O ASN A 96 181.195 11.611 -3.763 1.00 0.00 O ATOM 1477 CB ASN A 96 178.714 12.681 -4.716 1.00 0.00 C ATOM 1478 CG ASN A 96 179.862 13.659 -4.876 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.509 14.040 -3.899 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.118 14.073 -6.111 1.00 0.00 N ATOM 0 H ASN A 96 177.769 9.793 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 96 179.517 11.122 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.923 12.938 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.294 12.782 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.877 14.733 -6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 96 179.556 13.731 -6.890 1.00 0.00 H new ATOM 1487 N GLY A 97 180.165 9.646 -3.397 1.00 0.00 N ATOM 1488 CA GLY A 97 181.191 9.199 -2.472 1.00 0.00 C ATOM 1489 C GLY A 97 182.473 8.830 -3.184 1.00 0.00 C ATOM 1490 O GLY A 97 182.480 8.616 -4.397 1.00 0.00 O ATOM 0 H GLY A 97 179.405 8.984 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.393 9.987 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.825 8.337 -1.914 1.00 0.00 H new ATOM 1494 N GLU A 98 183.562 8.761 -2.432 1.00 0.00 N ATOM 1495 CA GLU A 98 184.857 8.419 -3.006 1.00 0.00 C ATOM 1496 C GLU A 98 185.786 7.798 -1.968 1.00 0.00 C ATOM 1497 O GLU A 98 185.623 8.004 -0.766 1.00 0.00 O ATOM 1498 CB GLU A 98 185.512 9.662 -3.612 1.00 0.00 C ATOM 1499 CG GLU A 98 185.747 10.777 -2.606 1.00 0.00 C ATOM 1500 CD GLU A 98 184.489 11.569 -2.308 1.00 0.00 C ATOM 1501 OE1 GLU A 98 183.624 11.669 -3.205 1.00 0.00 O ATOM 1502 OE2 GLU A 98 184.367 12.091 -1.179 1.00 0.00 O ATOM 0 H GLU A 98 183.576 8.936 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 98 184.686 7.680 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.466 9.379 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.882 10.038 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 98 186.131 10.350 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.514 11.451 -2.989 1.00 0.00 H new ATOM 1509 N TRP A 99 186.772 7.048 -2.451 1.00 0.00 N ATOM 1510 CA TRP A 99 187.747 6.400 -1.583 1.00 0.00 C ATOM 1511 C TRP A 99 189.048 6.149 -2.350 1.00 0.00 C ATOM 1512 O TRP A 99 189.080 6.246 -3.576 1.00 0.00 O ATOM 1513 CB TRP A 99 187.182 5.094 -1.022 1.00 0.00 C ATOM 1514 CG TRP A 99 188.155 4.341 -0.171 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.692 4.738 1.021 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.710 3.057 -0.454 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.555 3.779 1.489 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.580 2.735 0.601 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.552 2.148 -1.500 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.292 1.541 0.635 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.257 0.964 -1.466 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.119 0.669 -0.405 1.00 0.00 C ATOM 0 H TRP A 99 186.916 6.874 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 99 187.964 7.060 -0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.292 5.315 -0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.867 4.458 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.470 5.669 1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 99 190.090 3.834 2.356 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.888 2.368 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.958 1.310 1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.142 0.253 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.659 -0.266 -0.407 1.00 0.00 H new ATOM 1533 N THR A 100 190.124 5.864 -1.623 1.00 0.00 N ATOM 1534 CA THR A 100 191.431 5.642 -2.241 1.00 0.00 C ATOM 1535 C THR A 100 191.836 4.169 -2.260 1.00 0.00 C ATOM 1536 O THR A 100 191.355 3.367 -1.461 1.00 0.00 O ATOM 1537 CB THR A 100 192.493 6.433 -1.475 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.693 6.516 -2.220 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.830 5.828 -0.120 1.00 0.00 C ATOM 0 H THR A 100 190.119 5.781 -0.606 1.00 0.00 H new ATOM 0 HA THR A 100 191.356 5.977 -3.275 1.00 0.00 H new ATOM 0 HB THR A 100 192.060 7.421 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.084 7.408 -2.113 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.589 6.436 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.933 5.798 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.210 4.816 -0.258 1.00 0.00 H new ATOM 1547 N VAL A 101 192.759 3.843 -3.161 1.00 0.00 N ATOM 1548 CA VAL A 101 193.284 2.486 -3.277 1.00 0.00 C ATOM 1549 C VAL A 101 194.797 2.461 -3.051 1.00 0.00 C ATOM 1550 O VAL A 101 195.412 1.396 -3.039 1.00 0.00 O ATOM 1551 CB VAL A 101 192.992 1.870 -4.655 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.273 0.376 -4.628 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.559 2.146 -5.077 1.00 0.00 C ATOM 0 H VAL A 101 193.161 4.505 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 101 192.780 1.898 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 101 193.650 2.333 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.063 -0.051 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.320 0.207 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.638 -0.100 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.375 1.701 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.875 1.713 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.397 3.222 -5.132 1.00 0.00 H new ATOM 1563 N THR A 102 195.392 3.642 -2.883 1.00 0.00 N ATOM 1564 CA THR A 102 196.834 3.759 -2.669 1.00 0.00 C ATOM 1565 C THR A 102 197.264 3.152 -1.334 1.00 0.00 C ATOM 1566 O THR A 102 198.458 3.024 -1.065 1.00 0.00 O ATOM 1567 CB THR A 102 197.254 5.226 -2.728 1.00 0.00 C ATOM 1568 OG1 THR A 102 198.657 5.354 -2.567 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.591 6.081 -1.670 1.00 0.00 C ATOM 0 H THR A 102 194.896 4.533 -2.891 1.00 0.00 H new ATOM 0 HA THR A 102 197.330 3.201 -3.463 1.00 0.00 H new ATOM 0 HB THR A 102 196.936 5.578 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 102 198.906 6.301 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 102 196.933 7.111 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 102 195.509 6.044 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 102 196.853 5.704 -0.681 1.00 0.00 H new ATOM 1577 N GLU A 103 196.299 2.780 -0.500 1.00 0.00 N ATOM 1578 CA GLU A 103 196.604 2.191 0.797 1.00 0.00 C ATOM 1579 C GLU A 103 195.928 0.835 0.948 1.00 0.00 C ATOM 1580 O GLU A 103 194.780 0.655 0.543 1.00 0.00 O ATOM 1581 CB GLU A 103 196.163 3.128 1.925 1.00 0.00 C ATOM 1582 CG GLU A 103 197.323 3.761 2.675 1.00 0.00 C ATOM 1583 CD GLU A 103 196.882 4.887 3.591 1.00 0.00 C ATOM 1584 OE1 GLU A 103 196.713 6.022 3.096 1.00 0.00 O ATOM 1585 OE2 GLU A 103 196.707 4.635 4.800 1.00 0.00 O ATOM 0 H GLU A 103 195.303 2.876 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 103 197.683 2.047 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 103 195.537 3.917 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.546 2.570 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 103 197.830 2.997 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 103 198.048 4.145 1.958 1.00 0.00 H new ATOM 1592 N PHE A 104 196.645 -0.119 1.529 1.00 0.00 N ATOM 1593 CA PHE A 104 196.108 -1.458 1.728 1.00 0.00 C ATOM 1594 C PHE A 104 196.315 -1.914 3.166 1.00 0.00 C ATOM 1595 O PHE A 104 197.414 -1.806 3.708 1.00 0.00 O ATOM 1596 CB PHE A 104 196.775 -2.446 0.768 1.00 0.00 C ATOM 1597 CG PHE A 104 196.431 -2.210 -0.677 1.00 0.00 C ATOM 1598 CD1 PHE A 104 197.099 -1.245 -1.413 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.445 -2.960 -1.300 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.788 -1.029 -2.745 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.131 -2.749 -2.629 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.803 -1.784 -3.352 1.00 0.00 C ATOM 0 H PHE A 104 197.598 0.010 1.870 1.00 0.00 H new ATOM 0 HA PHE A 104 195.038 -1.429 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.856 -2.384 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 104 196.481 -3.459 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.871 -0.654 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.917 -3.718 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 104 197.314 -0.272 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.360 -3.339 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.559 -1.619 -4.391 1.00 0.00 H new ATOM 1612 N VAL A 105 195.254 -2.429 3.778 1.00 0.00 N ATOM 1613 CA VAL A 105 195.331 -2.902 5.151 1.00 0.00 C ATOM 1614 C VAL A 105 195.507 -4.417 5.194 1.00 0.00 C ATOM 1615 O VAL A 105 195.213 -5.118 4.226 1.00 0.00 O ATOM 1616 CB VAL A 105 194.085 -2.496 5.969 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.894 -0.987 5.927 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.839 -3.210 5.460 1.00 0.00 C ATOM 0 H VAL A 105 194.336 -2.528 3.346 1.00 0.00 H new ATOM 0 HA VAL A 105 196.202 -2.428 5.603 1.00 0.00 H new ATOM 0 HB VAL A 105 194.244 -2.798 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 105 193.012 -0.716 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 105 194.771 -0.497 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.761 -0.666 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.977 -2.906 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.671 -2.948 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.977 -4.288 5.546 1.00 0.00 H new