USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 499 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 52 SER OG : rot 63:sc= 0.954 USER MOD Set 1.2: A 67 CYS SG : rot -66:sc= 0.478! USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 12 SER OG : rot 46:sc= 1.13 USER MOD Set 3.2: A 14 ASN :FLIP amide:sc= -5.9! C(o=-8.5!,f=-4.8!) USER MOD Single : A 5 THR OG1 : rot -53:sc= 0.398 USER MOD Single : A 6 ASN : amide:sc= -5.68! C(o=-5.7!,f=-12!) USER MOD Single : A 7 THR OG1 : rot 44:sc= 0.777 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 140:sc= -4.3! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -126:sc= -5.87! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 95:sc= -2.39! USER MOD Single : A 40 SER OG : rot 18:sc= -1.63! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -58:sc= 0.838 USER MOD Single : A 50 SER OG : rot 180:sc= -0.851 USER MOD Single : A 51 THR OG1 : rot -29:sc= 0.538 USER MOD Single : A 53 THR OG1 : rot 150:sc= -1.11 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 13:sc= 0.215 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 11:sc= 0.444 USER MOD Single : A 66 THR OG1 : rot 53:sc= -0.332! USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.405 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -4.03! C(o=-5.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 4 49.644 8.137 7.049 1.00 0.00 N ATOM 34 CA CYS A 4 50.384 9.428 6.932 1.00 0.00 C ATOM 35 C CYS A 4 50.659 9.739 5.456 1.00 0.00 C ATOM 36 O CYS A 4 50.355 10.812 4.973 1.00 0.00 O ATOM 37 CB CYS A 4 51.698 9.230 7.703 1.00 0.00 C ATOM 38 SG CYS A 4 52.352 7.561 7.429 1.00 0.00 S ATOM 0 HA CYS A 4 49.814 10.265 7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 4 52.430 9.971 7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 4 51.529 9.390 8.768 1.00 0.00 H new ATOM 43 N THR A 5 51.220 8.807 4.734 1.00 0.00 N ATOM 44 CA THR A 5 51.502 9.046 3.290 1.00 0.00 C ATOM 45 C THR A 5 51.331 7.743 2.504 1.00 0.00 C ATOM 46 O THR A 5 52.184 7.356 1.730 1.00 0.00 O ATOM 47 CB THR A 5 52.957 9.524 3.239 1.00 0.00 C ATOM 48 OG1 THR A 5 53.292 9.867 1.901 1.00 0.00 O ATOM 49 CG2 THR A 5 53.887 8.414 3.731 1.00 0.00 C ATOM 0 H THR A 5 51.496 7.889 5.083 1.00 0.00 H new ATOM 0 HA THR A 5 50.824 9.777 2.849 1.00 0.00 H new ATOM 0 HB THR A 5 53.073 10.397 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 5 53.087 9.113 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 5 54.920 8.761 3.692 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.630 8.153 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 5 53.775 7.536 3.094 1.00 0.00 H new ATOM 57 N ASN A 6 50.237 7.056 2.702 1.00 0.00 N ATOM 58 CA ASN A 6 50.022 5.772 1.970 1.00 0.00 C ATOM 59 C ASN A 6 48.570 5.650 1.494 1.00 0.00 C ATOM 60 O ASN A 6 47.648 5.602 2.284 1.00 0.00 O ATOM 61 CB ASN A 6 50.337 4.680 2.993 1.00 0.00 C ATOM 62 CG ASN A 6 51.820 4.317 2.918 1.00 0.00 C ATOM 63 OD1 ASN A 6 52.674 5.171 3.046 1.00 0.00 O ATOM 64 ND2 ASN A 6 52.164 3.076 2.712 1.00 0.00 N ATOM 0 H ASN A 6 49.485 7.327 3.336 1.00 0.00 H new ATOM 0 HA ASN A 6 50.648 5.703 1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 6 50.087 5.025 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 6 49.726 3.798 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 6 53.151 2.822 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 6 51.447 2.359 2.605 1.00 0.00 H new ATOM 71 N THR A 7 48.363 5.581 0.206 1.00 0.00 N ATOM 72 CA THR A 7 46.976 5.440 -0.323 1.00 0.00 C ATOM 73 C THR A 7 46.734 3.984 -0.732 1.00 0.00 C ATOM 74 O THR A 7 47.251 3.519 -1.729 1.00 0.00 O ATOM 75 CB THR A 7 46.916 6.365 -1.539 1.00 0.00 C ATOM 76 OG1 THR A 7 47.974 6.044 -2.430 1.00 0.00 O ATOM 77 CG2 THR A 7 47.053 7.819 -1.083 1.00 0.00 C ATOM 0 H THR A 7 49.095 5.616 -0.503 1.00 0.00 H new ATOM 0 HA THR A 7 46.215 5.701 0.412 1.00 0.00 H new ATOM 0 HB THR A 7 45.961 6.235 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 7 48.044 5.070 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 7 47.010 8.478 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 7 46.239 8.064 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 7 48.007 7.952 -0.573 1.00 0.00 H new ATOM 85 N ASN A 8 45.969 3.256 0.042 1.00 0.00 N ATOM 86 CA ASN A 8 45.705 1.818 -0.282 1.00 0.00 C ATOM 87 C ASN A 8 46.947 0.974 0.026 1.00 0.00 C ATOM 88 O ASN A 8 46.946 -0.230 -0.132 1.00 0.00 O ATOM 89 CB ASN A 8 45.387 1.778 -1.779 1.00 0.00 C ATOM 90 CG ASN A 8 44.081 1.013 -2.004 1.00 0.00 C ATOM 91 OD1 ASN A 8 44.097 -0.121 -2.444 1.00 0.00 O ATOM 92 ND2 ASN A 8 42.944 1.587 -1.720 1.00 0.00 N ATOM 0 H ASN A 8 45.513 3.596 0.889 1.00 0.00 H new ATOM 0 HA ASN A 8 44.884 1.413 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 8 45.299 2.792 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 8 46.201 1.297 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.068 1.085 -1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 8 42.931 2.538 -1.351 1.00 0.00 H new ATOM 99 N SER A 9 48.004 1.600 0.471 1.00 0.00 N ATOM 100 CA SER A 9 49.248 0.844 0.796 1.00 0.00 C ATOM 101 C SER A 9 49.459 0.826 2.313 1.00 0.00 C ATOM 102 O SER A 9 48.704 1.417 3.059 1.00 0.00 O ATOM 103 CB SER A 9 50.375 1.613 0.106 1.00 0.00 C ATOM 104 OG SER A 9 49.889 2.876 -0.335 1.00 0.00 O ATOM 0 H SER A 9 48.059 2.607 0.624 1.00 0.00 H new ATOM 0 HA SER A 9 49.206 -0.193 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 51.209 1.753 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.754 1.041 -0.741 1.00 0.00 H new ATOM 0 HG SER A 9 50.612 3.369 -0.776 1.00 0.00 H new ATOM 110 N GLN A 10 50.480 0.159 2.776 1.00 0.00 N ATOM 111 CA GLN A 10 50.731 0.115 4.245 1.00 0.00 C ATOM 112 C GLN A 10 52.194 0.447 4.540 1.00 0.00 C ATOM 113 O GLN A 10 53.089 -0.307 4.212 1.00 0.00 O ATOM 114 CB GLN A 10 50.415 -1.320 4.665 1.00 0.00 C ATOM 115 CG GLN A 10 50.427 -1.418 6.193 1.00 0.00 C ATOM 116 CD GLN A 10 49.969 -2.815 6.621 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.723 -3.557 7.218 1.00 0.00 O ATOM 118 NE2 GLN A 10 48.757 -3.205 6.341 1.00 0.00 N ATOM 0 H GLN A 10 51.149 -0.356 2.204 1.00 0.00 H new ATOM 0 HA GLN A 10 50.122 0.839 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.440 -1.617 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.149 -2.005 4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 10 51.430 -1.221 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.770 -0.661 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 10 48.124 -2.582 5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.442 -4.133 6.623 1.00 0.00 H new ATOM 127 N LEU A 11 52.449 1.566 5.160 1.00 0.00 N ATOM 128 CA LEU A 11 53.857 1.932 5.473 1.00 0.00 C ATOM 129 C LEU A 11 54.259 1.356 6.832 1.00 0.00 C ATOM 130 O LEU A 11 54.707 2.064 7.710 1.00 0.00 O ATOM 131 CB LEU A 11 53.879 3.461 5.505 1.00 0.00 C ATOM 132 CG LEU A 11 55.310 3.949 5.282 1.00 0.00 C ATOM 133 CD1 LEU A 11 55.629 3.936 3.785 1.00 0.00 C ATOM 134 CD2 LEU A 11 55.455 5.373 5.823 1.00 0.00 C ATOM 0 H LEU A 11 51.745 2.240 5.462 1.00 0.00 H new ATOM 0 HA LEU A 11 54.559 1.536 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.221 3.862 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.504 3.822 6.463 1.00 0.00 H new ATOM 0 HG LEU A 11 56.002 3.290 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 56.650 4.284 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 11 55.528 2.921 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 54.936 4.593 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 11 56.476 5.721 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 11 54.762 6.033 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.231 5.382 6.890 1.00 0.00 H new ATOM 146 N SER A 12 54.103 0.072 7.008 1.00 0.00 N ATOM 147 CA SER A 12 54.481 -0.560 8.305 1.00 0.00 C ATOM 148 C SER A 12 53.626 -0.010 9.453 1.00 0.00 C ATOM 149 O SER A 12 53.876 -0.292 10.608 1.00 0.00 O ATOM 150 CB SER A 12 55.950 -0.190 8.503 1.00 0.00 C ATOM 151 OG SER A 12 56.135 0.339 9.810 1.00 0.00 O ATOM 0 H SER A 12 53.729 -0.568 6.308 1.00 0.00 H new ATOM 0 HA SER A 12 54.323 -1.638 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 12 56.579 -1.069 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.255 0.543 7.756 1.00 0.00 H new ATOM 0 HG SER A 12 55.668 -0.226 10.461 1.00 0.00 H new ATOM 157 N ALA A 13 52.622 0.765 9.150 1.00 0.00 N ATOM 158 CA ALA A 13 51.758 1.323 10.232 1.00 0.00 C ATOM 159 C ALA A 13 52.604 2.058 11.279 1.00 0.00 C ATOM 160 O ALA A 13 52.154 2.318 12.377 1.00 0.00 O ATOM 161 CB ALA A 13 51.075 0.106 10.858 1.00 0.00 C ATOM 0 H ALA A 13 52.361 1.037 8.202 1.00 0.00 H new ATOM 0 HA ALA A 13 51.040 2.047 9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 13 50.419 0.432 11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.487 -0.411 10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.831 -0.571 11.255 1.00 0.00 H new ATOM 167 N ASN A 14 53.823 2.398 10.954 1.00 0.00 N ATOM 168 CA ASN A 14 54.678 3.119 11.945 1.00 0.00 C ATOM 169 C ASN A 14 56.103 3.304 11.407 1.00 0.00 C ATOM 170 O ASN A 14 57.058 3.339 12.158 1.00 0.00 O ATOM 171 CB ASN A 14 54.683 2.236 13.197 1.00 0.00 C ATOM 172 CG ASN A 14 54.816 0.766 12.798 1.00 0.00 C ATOM 173 OD1 ASN A 14 55.956 0.329 12.336 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 53.872 0.008 12.909 1.00 0.00 N flip ATOM 0 H ASN A 14 54.262 2.210 10.053 1.00 0.00 H new ATOM 0 HA ASN A 14 54.295 4.118 12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.508 2.521 13.850 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.763 2.386 13.762 1.00 0.00 H new ATOM 0 HD21 ASN A 14 52.982 0.351 13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 14 53.970 -0.971 12.641 1.00 0.00 H new ATOM 181 N SER A 15 56.257 3.429 10.116 1.00 0.00 N ATOM 182 CA SER A 15 57.622 3.620 9.540 1.00 0.00 C ATOM 183 C SER A 15 57.918 5.120 9.406 1.00 0.00 C ATOM 184 O SER A 15 57.474 5.920 10.205 1.00 0.00 O ATOM 185 CB SER A 15 57.566 2.943 8.165 1.00 0.00 C ATOM 186 OG SER A 15 57.404 3.927 7.154 1.00 0.00 O ATOM 0 H SER A 15 55.498 3.407 9.435 1.00 0.00 H new ATOM 0 HA SER A 15 58.410 3.196 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 15 58.480 2.376 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 15 56.739 2.234 8.131 1.00 0.00 H new ATOM 0 HG SER A 15 57.959 3.696 6.380 1.00 0.00 H new ATOM 192 N LYS A 16 58.651 5.512 8.400 1.00 0.00 N ATOM 193 CA LYS A 16 58.954 6.962 8.223 1.00 0.00 C ATOM 194 C LYS A 16 58.105 7.526 7.083 1.00 0.00 C ATOM 195 O LYS A 16 58.373 7.293 5.921 1.00 0.00 O ATOM 196 CB LYS A 16 60.441 7.027 7.871 1.00 0.00 C ATOM 197 CG LYS A 16 61.032 8.338 8.396 1.00 0.00 C ATOM 198 CD LYS A 16 61.943 8.043 9.591 1.00 0.00 C ATOM 199 CE LYS A 16 62.567 9.348 10.093 1.00 0.00 C ATOM 200 NZ LYS A 16 61.939 9.583 11.423 1.00 0.00 N ATOM 0 H LYS A 16 59.052 4.894 7.695 1.00 0.00 H new ATOM 0 HA LYS A 16 58.731 7.546 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.967 6.178 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.573 6.963 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.597 8.836 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.233 9.017 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 16 61.371 7.570 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 16 62.725 7.342 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 63.650 9.262 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.365 10.172 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 62.315 10.461 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 60.909 9.667 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.154 8.785 12.054 1.00 0.00 H new ATOM 214 N CYS A 17 57.075 8.255 7.409 1.00 0.00 N ATOM 215 CA CYS A 17 56.197 8.826 6.348 1.00 0.00 C ATOM 216 C CYS A 17 56.821 10.092 5.759 1.00 0.00 C ATOM 217 O CYS A 17 56.240 11.157 5.807 1.00 0.00 O ATOM 218 CB CYS A 17 54.886 9.159 7.057 1.00 0.00 C ATOM 219 SG CYS A 17 54.296 7.702 7.952 1.00 0.00 S ATOM 0 H CYS A 17 56.802 8.481 8.365 1.00 0.00 H new ATOM 0 HA CYS A 17 56.052 8.132 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 17 55.035 9.988 7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.139 9.480 6.331 1.00 0.00 H new ATOM 224 N GLU A 18 57.993 9.988 5.197 1.00 0.00 N ATOM 225 CA GLU A 18 58.630 11.198 4.604 1.00 0.00 C ATOM 226 C GLU A 18 58.144 11.396 3.167 1.00 0.00 C ATOM 227 O GLU A 18 58.927 11.489 2.242 1.00 0.00 O ATOM 228 CB GLU A 18 60.131 10.919 4.635 1.00 0.00 C ATOM 229 CG GLU A 18 60.832 12.009 5.450 1.00 0.00 C ATOM 230 CD GLU A 18 60.244 12.051 6.862 1.00 0.00 C ATOM 231 OE1 GLU A 18 60.234 11.017 7.510 1.00 0.00 O ATOM 232 OE2 GLU A 18 59.811 13.116 7.270 1.00 0.00 O ATOM 0 H GLU A 18 58.534 9.126 5.123 1.00 0.00 H new ATOM 0 HA GLU A 18 58.380 12.107 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 18 60.322 9.940 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.529 10.895 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 18 61.903 11.811 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.708 12.977 4.964 1.00 0.00 H new ATOM 319 N ASN A 24 50.776 0.662 -3.630 1.00 0.00 N ATOM 320 CA ASN A 24 51.009 -0.790 -3.871 1.00 0.00 C ATOM 321 C ASN A 24 52.283 -1.254 -3.159 1.00 0.00 C ATOM 322 O ASN A 24 53.154 -1.853 -3.757 1.00 0.00 O ATOM 323 CB ASN A 24 51.168 -0.916 -5.387 1.00 0.00 C ATOM 324 CG ASN A 24 49.794 -0.840 -6.054 1.00 0.00 C ATOM 325 OD1 ASN A 24 49.480 0.129 -6.717 1.00 0.00 O ATOM 326 ND2 ASN A 24 48.956 -1.829 -5.905 1.00 0.00 N ATOM 0 HA ASN A 24 50.194 -1.406 -3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 24 51.811 -0.120 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 24 51.652 -1.861 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 24 48.037 -1.789 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 24 49.220 -2.642 -5.348 1.00 0.00 H new ATOM 333 N CYS A 25 52.401 -0.987 -1.886 1.00 0.00 N ATOM 334 CA CYS A 25 53.622 -1.420 -1.147 1.00 0.00 C ATOM 335 C CYS A 25 53.300 -1.648 0.329 1.00 0.00 C ATOM 336 O CYS A 25 52.938 -0.736 1.046 1.00 0.00 O ATOM 337 CB CYS A 25 54.617 -0.272 -1.303 1.00 0.00 C ATOM 338 SG CYS A 25 53.816 1.290 -0.855 1.00 0.00 S ATOM 0 H CYS A 25 51.707 -0.490 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 25 54.019 -2.358 -1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 25 55.486 -0.442 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 25 54.977 -0.226 -2.331 1.00 0.00 H new ATOM 343 N TYR A 26 53.438 -2.859 0.790 1.00 0.00 N ATOM 344 CA TYR A 26 53.151 -3.147 2.222 1.00 0.00 C ATOM 345 C TYR A 26 54.465 -3.225 3.002 1.00 0.00 C ATOM 346 O TYR A 26 55.158 -4.221 2.972 1.00 0.00 O ATOM 347 CB TYR A 26 52.446 -4.502 2.220 1.00 0.00 C ATOM 348 CG TYR A 26 51.132 -4.386 1.483 1.00 0.00 C ATOM 349 CD1 TYR A 26 51.093 -4.528 0.090 1.00 0.00 C ATOM 350 CD2 TYR A 26 49.951 -4.137 2.194 1.00 0.00 C ATOM 351 CE1 TYR A 26 49.874 -4.423 -0.591 1.00 0.00 C ATOM 352 CE2 TYR A 26 48.733 -4.033 1.513 1.00 0.00 C ATOM 353 CZ TYR A 26 48.694 -4.176 0.121 1.00 0.00 C ATOM 354 OH TYR A 26 47.492 -4.075 -0.550 1.00 0.00 O ATOM 0 H TYR A 26 53.737 -3.662 0.237 1.00 0.00 H new ATOM 0 HA TYR A 26 52.540 -2.376 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.078 -5.252 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.273 -4.835 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.003 -4.719 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 26 49.981 -4.025 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 26 49.844 -4.532 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 26 47.822 -3.842 2.062 1.00 0.00 H new ATOM 0 HH TYR A 26 46.772 -3.903 0.092 1.00 0.00 H new ATOM 364 N VAL A 27 54.820 -2.179 3.694 1.00 0.00 N ATOM 365 CA VAL A 27 56.096 -2.195 4.465 1.00 0.00 C ATOM 366 C VAL A 27 55.834 -2.618 5.917 1.00 0.00 C ATOM 367 O VAL A 27 54.708 -2.649 6.369 1.00 0.00 O ATOM 368 CB VAL A 27 56.609 -0.753 4.408 1.00 0.00 C ATOM 369 CG1 VAL A 27 58.071 -0.704 4.851 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.497 -0.223 2.976 1.00 0.00 C ATOM 0 H VAL A 27 54.283 -1.314 3.760 1.00 0.00 H new ATOM 0 HA VAL A 27 56.818 -2.902 4.056 1.00 0.00 H new ATOM 0 HB VAL A 27 56.008 -0.135 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.430 0.324 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.154 -1.075 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.673 -1.326 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.863 0.803 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.094 -0.846 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.454 -0.249 2.659 1.00 0.00 H new ATOM 380 N ASP A 28 56.867 -2.947 6.648 1.00 0.00 N ATOM 381 CA ASP A 28 56.678 -3.370 8.068 1.00 0.00 C ATOM 382 C ASP A 28 57.863 -2.900 8.920 1.00 0.00 C ATOM 383 O ASP A 28 59.000 -3.190 8.621 1.00 0.00 O ATOM 384 CB ASP A 28 56.629 -4.896 8.020 1.00 0.00 C ATOM 385 CG ASP A 28 55.202 -5.369 8.311 1.00 0.00 C ATOM 386 OD1 ASP A 28 54.285 -4.796 7.748 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.054 -6.296 9.090 1.00 0.00 O ATOM 0 H ASP A 28 57.834 -2.941 6.323 1.00 0.00 H new ATOM 0 HA ASP A 28 55.777 -2.945 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.948 -5.250 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.319 -5.316 8.751 1.00 0.00 H new ATOM 392 N LYS A 29 57.606 -2.173 9.975 1.00 0.00 N ATOM 393 CA LYS A 29 58.728 -1.688 10.833 1.00 0.00 C ATOM 394 C LYS A 29 59.874 -1.191 9.947 1.00 0.00 C ATOM 395 O LYS A 29 60.957 -1.740 9.951 1.00 0.00 O ATOM 396 CB LYS A 29 59.163 -2.913 11.640 1.00 0.00 C ATOM 397 CG LYS A 29 59.645 -2.475 13.027 1.00 0.00 C ATOM 398 CD LYS A 29 60.782 -3.390 13.487 1.00 0.00 C ATOM 399 CE LYS A 29 60.337 -4.180 14.721 1.00 0.00 C ATOM 400 NZ LYS A 29 60.868 -5.554 14.508 1.00 0.00 N ATOM 0 H LYS A 29 56.673 -1.895 10.279 1.00 0.00 H new ATOM 0 HA LYS A 29 58.437 -0.860 11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.331 -3.610 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.961 -3.440 11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 29 59.987 -1.441 12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 29 58.821 -2.516 13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.059 -4.074 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.667 -2.798 13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.734 -3.740 15.636 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.251 -4.186 14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.604 -6.157 15.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 60.467 -5.949 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.904 -5.517 14.428 1.00 0.00 H new ATOM 414 N SER A 30 59.636 -0.166 9.175 1.00 0.00 N ATOM 415 CA SER A 30 60.706 0.351 8.274 1.00 0.00 C ATOM 416 C SER A 30 60.854 1.864 8.408 1.00 0.00 C ATOM 417 O SER A 30 60.165 2.510 9.172 1.00 0.00 O ATOM 418 CB SER A 30 60.229 0.011 6.866 1.00 0.00 C ATOM 419 OG SER A 30 59.527 -1.225 6.896 1.00 0.00 O ATOM 0 H SER A 30 58.749 0.335 9.129 1.00 0.00 H new ATOM 0 HA SER A 30 61.675 -0.087 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.581 0.802 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.079 -0.056 6.187 1.00 0.00 H new ATOM 0 HG SER A 30 59.917 -1.839 6.239 1.00 0.00 H new ATOM 425 N GLU A 31 61.750 2.431 7.653 1.00 0.00 N ATOM 426 CA GLU A 31 61.949 3.903 7.700 1.00 0.00 C ATOM 427 C GLU A 31 62.310 4.407 6.302 1.00 0.00 C ATOM 428 O GLU A 31 63.420 4.230 5.840 1.00 0.00 O ATOM 429 CB GLU A 31 63.101 4.119 8.680 1.00 0.00 C ATOM 430 CG GLU A 31 62.538 4.264 10.094 1.00 0.00 C ATOM 431 CD GLU A 31 63.424 5.212 10.906 1.00 0.00 C ATOM 432 OE1 GLU A 31 64.110 6.016 10.297 1.00 0.00 O ATOM 433 OE2 GLU A 31 63.400 5.118 12.122 1.00 0.00 O ATOM 0 H GLU A 31 62.357 1.934 7.001 1.00 0.00 H new ATOM 0 HA GLU A 31 61.057 4.444 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 31 63.794 3.279 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 31 63.664 5.011 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 31 61.519 4.649 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 31 62.491 3.289 10.579 1.00 0.00 H new ATOM 440 N VAL A 32 61.385 5.019 5.614 1.00 0.00 N ATOM 441 CA VAL A 32 61.694 5.509 4.242 1.00 0.00 C ATOM 442 C VAL A 32 61.689 7.041 4.210 1.00 0.00 C ATOM 443 O VAL A 32 60.773 7.681 4.686 1.00 0.00 O ATOM 444 CB VAL A 32 60.584 4.938 3.357 1.00 0.00 C ATOM 445 CG1 VAL A 32 60.500 3.417 3.551 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.245 5.578 3.737 1.00 0.00 C ATOM 0 H VAL A 32 60.436 5.200 5.940 1.00 0.00 H new ATOM 0 HA VAL A 32 62.681 5.195 3.902 1.00 0.00 H new ATOM 0 HB VAL A 32 60.807 5.157 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.709 3.013 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 61.452 2.962 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.280 3.195 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.455 5.171 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.022 5.362 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.304 6.657 3.594 1.00 0.00 H new ATOM 456 N TYR A 33 62.713 7.629 3.652 1.00 0.00 N ATOM 457 CA TYR A 33 62.780 9.118 3.588 1.00 0.00 C ATOM 458 C TYR A 33 62.807 9.576 2.128 1.00 0.00 C ATOM 459 O TYR A 33 63.848 9.635 1.507 1.00 0.00 O ATOM 460 CB TYR A 33 64.090 9.482 4.290 1.00 0.00 C ATOM 461 CG TYR A 33 63.996 10.879 4.858 1.00 0.00 C ATOM 462 CD1 TYR A 33 63.937 11.986 4.000 1.00 0.00 C ATOM 463 CD2 TYR A 33 63.972 11.069 6.246 1.00 0.00 C ATOM 464 CE1 TYR A 33 63.855 13.279 4.530 1.00 0.00 C ATOM 465 CE2 TYR A 33 63.890 12.362 6.775 1.00 0.00 C ATOM 466 CZ TYR A 33 63.831 13.467 5.918 1.00 0.00 C ATOM 467 OH TYR A 33 63.752 14.742 6.440 1.00 0.00 O ATOM 0 H TYR A 33 63.507 7.142 3.237 1.00 0.00 H new ATOM 0 HA TYR A 33 61.920 9.596 4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.296 8.768 5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 33 64.920 9.421 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 33 63.955 11.841 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 33 64.017 10.217 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 33 63.810 14.132 3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.872 12.507 7.845 1.00 0.00 H new ATOM 0 HH TYR A 33 63.744 14.695 7.419 1.00 0.00 H new ATOM 477 N GLY A 34 61.671 9.897 1.575 1.00 0.00 N ATOM 478 CA GLY A 34 61.639 10.346 0.155 1.00 0.00 C ATOM 479 C GLY A 34 61.828 9.137 -0.762 1.00 0.00 C ATOM 480 O GLY A 34 62.414 9.236 -1.822 1.00 0.00 O ATOM 0 H GLY A 34 60.765 9.868 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.690 10.837 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.425 11.079 -0.024 1.00 0.00 H new ATOM 484 N THR A 35 61.340 7.994 -0.364 1.00 0.00 N ATOM 485 CA THR A 35 61.499 6.781 -1.217 1.00 0.00 C ATOM 486 C THR A 35 60.153 6.386 -1.831 1.00 0.00 C ATOM 487 O THR A 35 59.109 6.572 -1.239 1.00 0.00 O ATOM 488 CB THR A 35 61.997 5.690 -0.266 1.00 0.00 C ATOM 489 OG1 THR A 35 63.334 5.977 0.121 1.00 0.00 O ATOM 490 CG2 THR A 35 61.949 4.335 -0.972 1.00 0.00 C ATOM 0 H THR A 35 60.839 7.847 0.512 1.00 0.00 H new ATOM 0 HA THR A 35 62.189 6.945 -2.045 1.00 0.00 H new ATOM 0 HB THR A 35 61.360 5.659 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.331 6.462 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.304 3.559 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.924 4.116 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 35 62.585 4.363 -1.856 1.00 0.00 H new ATOM 498 N THR A 36 60.173 5.844 -3.018 1.00 0.00 N ATOM 499 CA THR A 36 58.899 5.438 -3.678 1.00 0.00 C ATOM 500 C THR A 36 58.654 3.940 -3.479 1.00 0.00 C ATOM 501 O THR A 36 59.578 3.163 -3.355 1.00 0.00 O ATOM 502 CB THR A 36 59.105 5.757 -5.159 1.00 0.00 C ATOM 503 OG1 THR A 36 57.941 5.391 -5.884 1.00 0.00 O ATOM 504 CG2 THR A 36 60.306 4.973 -5.691 1.00 0.00 C ATOM 0 H THR A 36 61.018 5.664 -3.560 1.00 0.00 H new ATOM 0 HA THR A 36 58.034 5.957 -3.265 1.00 0.00 H new ATOM 0 HB THR A 36 59.290 6.824 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 36 58.069 5.596 -6.834 1.00 0.00 H new ATOM 0 HG21 THR A 36 60.451 5.202 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 36 61.199 5.253 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 36 60.124 3.905 -5.573 1.00 0.00 H new ATOM 512 N CYS A 37 57.415 3.532 -3.449 1.00 0.00 N ATOM 513 CA CYS A 37 57.115 2.084 -3.260 1.00 0.00 C ATOM 514 C CYS A 37 56.026 1.639 -4.240 1.00 0.00 C ATOM 515 O CYS A 37 54.984 1.152 -3.853 1.00 0.00 O ATOM 516 CB CYS A 37 56.631 1.964 -1.810 1.00 0.00 C ATOM 517 SG CYS A 37 54.999 2.734 -1.642 1.00 0.00 S ATOM 0 H CYS A 37 56.599 4.137 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 37 57.982 1.451 -3.448 1.00 0.00 H new ATOM 0 HB2 CYS A 37 56.580 0.915 -1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 37 57.342 2.446 -1.139 1.00 0.00 H new ATOM 522 N THR A 38 56.256 1.799 -5.513 1.00 0.00 N ATOM 523 CA THR A 38 55.227 1.379 -6.505 1.00 0.00 C ATOM 524 C THR A 38 55.065 -0.148 -6.469 1.00 0.00 C ATOM 525 O THR A 38 54.535 -0.694 -5.522 1.00 0.00 O ATOM 526 CB THR A 38 55.761 1.858 -7.857 1.00 0.00 C ATOM 527 OG1 THR A 38 56.078 3.242 -7.773 1.00 0.00 O ATOM 528 CG2 THR A 38 54.695 1.642 -8.933 1.00 0.00 C ATOM 0 H THR A 38 57.107 2.200 -5.908 1.00 0.00 H new ATOM 0 HA THR A 38 54.242 1.800 -6.301 1.00 0.00 H new ATOM 0 HB THR A 38 56.656 1.293 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.422 3.552 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 38 55.075 1.983 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 54.450 0.582 -8.995 1.00 0.00 H new ATOM 0 HG23 THR A 38 53.799 2.207 -8.676 1.00 0.00 H new ATOM 536 N GLY A 39 55.516 -0.846 -7.477 1.00 0.00 N ATOM 537 CA GLY A 39 55.379 -2.330 -7.467 1.00 0.00 C ATOM 538 C GLY A 39 56.482 -2.933 -6.597 1.00 0.00 C ATOM 539 O GLY A 39 57.364 -3.615 -7.081 1.00 0.00 O ATOM 0 H GLY A 39 55.971 -0.455 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.400 -2.614 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.447 -2.720 -8.483 1.00 0.00 H new ATOM 543 N SER A 40 56.447 -2.682 -5.316 1.00 0.00 N ATOM 544 CA SER A 40 57.502 -3.238 -4.420 1.00 0.00 C ATOM 545 C SER A 40 56.912 -3.623 -3.061 1.00 0.00 C ATOM 546 O SER A 40 55.796 -3.272 -2.730 1.00 0.00 O ATOM 547 CB SER A 40 58.512 -2.104 -4.253 1.00 0.00 C ATOM 548 OG SER A 40 59.725 -2.629 -3.728 1.00 0.00 O ATOM 0 H SER A 40 55.735 -2.117 -4.852 1.00 0.00 H new ATOM 0 HA SER A 40 57.953 -4.140 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 40 58.696 -1.621 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.113 -1.341 -3.584 1.00 0.00 H new ATOM 0 HG SER A 40 59.744 -3.600 -3.858 1.00 0.00 H new ATOM 554 N ARG A 41 57.664 -4.336 -2.269 1.00 0.00 N ATOM 555 CA ARG A 41 57.169 -4.743 -0.923 1.00 0.00 C ATOM 556 C ARG A 41 58.296 -4.603 0.103 1.00 0.00 C ATOM 557 O ARG A 41 59.366 -5.155 -0.059 1.00 0.00 O ATOM 558 CB ARG A 41 56.755 -6.209 -1.078 1.00 0.00 C ATOM 559 CG ARG A 41 56.671 -6.870 0.301 1.00 0.00 C ATOM 560 CD ARG A 41 55.863 -5.980 1.253 1.00 0.00 C ATOM 561 NE ARG A 41 55.246 -6.920 2.230 1.00 0.00 N ATOM 562 CZ ARG A 41 54.116 -7.512 1.950 1.00 0.00 C ATOM 563 NH1 ARG A 41 53.601 -7.409 0.755 1.00 0.00 N ATOM 564 NH2 ARG A 41 53.503 -8.210 2.867 1.00 0.00 N ATOM 0 H ARG A 41 58.605 -4.656 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 41 56.340 -4.127 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 41 55.791 -6.273 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.477 -6.737 -1.702 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.201 -7.850 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.673 -7.030 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.504 -5.255 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.102 -5.415 0.715 1.00 0.00 H new ATOM 0 HE ARG A 41 55.708 -7.102 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 41 54.081 -6.865 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 41 52.718 -7.872 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 41 53.907 -8.292 3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 41 52.620 -8.673 2.650 1.00 0.00 H new ATOM 578 N PHE A 42 58.071 -3.862 1.153 1.00 0.00 N ATOM 579 CA PHE A 42 59.141 -3.685 2.178 1.00 0.00 C ATOM 580 C PHE A 42 58.837 -4.524 3.424 1.00 0.00 C ATOM 581 O PHE A 42 57.817 -5.179 3.516 1.00 0.00 O ATOM 582 CB PHE A 42 59.118 -2.196 2.526 1.00 0.00 C ATOM 583 CG PHE A 42 59.989 -1.426 1.561 1.00 0.00 C ATOM 584 CD1 PHE A 42 59.971 -1.733 0.195 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.810 -0.393 2.035 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.772 -1.010 -0.699 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.612 0.330 1.144 1.00 0.00 C ATOM 588 CZ PHE A 42 61.592 0.023 -0.223 1.00 0.00 C ATOM 0 H PHE A 42 57.197 -3.373 1.346 1.00 0.00 H new ATOM 0 HA PHE A 42 60.114 -4.007 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.096 -1.820 2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.472 -2.047 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.339 -2.529 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 42 60.824 -0.155 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.758 -1.248 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.246 1.124 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.209 0.583 -0.911 1.00 0.00 H new ATOM 598 N ASP A 43 59.721 -4.500 4.382 1.00 0.00 N ATOM 599 CA ASP A 43 59.511 -5.284 5.634 1.00 0.00 C ATOM 600 C ASP A 43 60.773 -5.195 6.493 1.00 0.00 C ATOM 601 O ASP A 43 61.798 -5.755 6.163 1.00 0.00 O ATOM 602 CB ASP A 43 59.268 -6.724 5.177 1.00 0.00 C ATOM 603 CG ASP A 43 59.414 -7.671 6.369 1.00 0.00 C ATOM 604 OD1 ASP A 43 59.419 -7.187 7.489 1.00 0.00 O ATOM 605 OD2 ASP A 43 59.518 -8.866 6.143 1.00 0.00 O ATOM 0 H ASP A 43 60.589 -3.966 4.352 1.00 0.00 H new ATOM 0 HA ASP A 43 58.676 -4.914 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.271 -6.816 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 43 59.979 -6.993 4.396 1.00 0.00 H new ATOM 610 N GLY A 44 60.717 -4.473 7.577 1.00 0.00 N ATOM 611 CA GLY A 44 61.928 -4.329 8.430 1.00 0.00 C ATOM 612 C GLY A 44 63.047 -3.774 7.553 1.00 0.00 C ATOM 613 O GLY A 44 64.004 -4.454 7.246 1.00 0.00 O ATOM 0 H GLY A 44 59.889 -3.978 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 61.729 -3.659 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.215 -5.292 8.853 1.00 0.00 H new ATOM 617 N VAL A 45 62.910 -2.552 7.112 1.00 0.00 N ATOM 618 CA VAL A 45 63.945 -1.970 6.215 1.00 0.00 C ATOM 619 C VAL A 45 64.122 -0.469 6.465 1.00 0.00 C ATOM 620 O VAL A 45 63.186 0.301 6.380 1.00 0.00 O ATOM 621 CB VAL A 45 63.378 -2.213 4.817 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.070 -1.305 3.799 1.00 0.00 C ATOM 623 CG2 VAL A 45 63.595 -3.676 4.428 1.00 0.00 C ATOM 0 H VAL A 45 62.129 -1.935 7.334 1.00 0.00 H new ATOM 0 HA VAL A 45 64.928 -2.414 6.369 1.00 0.00 H new ATOM 0 HB VAL A 45 62.312 -1.988 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 45 63.656 -1.489 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 45 63.908 -0.262 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.139 -1.516 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 63.191 -3.851 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 64.662 -3.899 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 45 63.087 -4.322 5.144 1.00 0.00 H new ATOM 633 N THR A 46 65.325 -0.045 6.736 1.00 0.00 N ATOM 634 CA THR A 46 65.577 1.407 6.950 1.00 0.00 C ATOM 635 C THR A 46 66.241 1.979 5.695 1.00 0.00 C ATOM 636 O THR A 46 67.438 1.874 5.513 1.00 0.00 O ATOM 637 CB THR A 46 66.524 1.484 8.149 1.00 0.00 C ATOM 638 OG1 THR A 46 65.915 0.866 9.273 1.00 0.00 O ATOM 639 CG2 THR A 46 66.822 2.950 8.466 1.00 0.00 C ATOM 0 H THR A 46 66.147 -0.644 6.819 1.00 0.00 H new ATOM 0 HA THR A 46 64.666 1.975 7.135 1.00 0.00 H new ATOM 0 HB THR A 46 67.455 0.968 7.914 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.522 0.913 10.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.497 3.008 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.290 3.421 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 46 65.892 3.467 8.703 1.00 0.00 H new ATOM 647 N ILE A 47 65.472 2.559 4.817 1.00 0.00 N ATOM 648 CA ILE A 47 66.060 3.108 3.561 1.00 0.00 C ATOM 649 C ILE A 47 66.000 4.638 3.559 1.00 0.00 C ATOM 650 O ILE A 47 65.337 5.244 4.379 1.00 0.00 O ATOM 651 CB ILE A 47 65.191 2.520 2.449 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.728 2.892 2.701 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.334 0.997 2.451 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.160 3.596 1.468 1.00 0.00 C ATOM 0 H ILE A 47 64.463 2.677 4.913 1.00 0.00 H new ATOM 0 HA ILE A 47 67.112 2.849 3.442 1.00 0.00 H new ATOM 0 HB ILE A 47 65.508 2.917 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.147 1.996 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.652 3.543 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 47 64.716 0.573 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.377 0.729 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 65.011 0.603 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.118 3.861 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.735 4.500 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.222 2.929 0.608 1.00 0.00 H new ATOM 666 N THR A 48 66.701 5.269 2.654 1.00 0.00 N ATOM 667 CA THR A 48 66.698 6.760 2.614 1.00 0.00 C ATOM 668 C THR A 48 66.529 7.262 1.169 1.00 0.00 C ATOM 669 O THR A 48 67.403 7.104 0.340 1.00 0.00 O ATOM 670 CB THR A 48 68.066 7.150 3.216 1.00 0.00 C ATOM 671 OG1 THR A 48 67.859 7.798 4.462 1.00 0.00 O ATOM 672 CG2 THR A 48 68.841 8.089 2.282 1.00 0.00 C ATOM 0 H THR A 48 67.275 4.817 1.942 1.00 0.00 H new ATOM 0 HA THR A 48 65.873 7.207 3.168 1.00 0.00 H new ATOM 0 HB THR A 48 68.652 6.241 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 48 68.724 8.046 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.799 8.344 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 48 69.012 7.592 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 48 68.263 8.999 2.119 1.00 0.00 H new ATOM 680 N THR A 49 65.413 7.879 0.875 1.00 0.00 N ATOM 681 CA THR A 49 65.176 8.414 -0.502 1.00 0.00 C ATOM 682 C THR A 49 65.734 7.469 -1.569 1.00 0.00 C ATOM 683 O THR A 49 66.729 7.760 -2.205 1.00 0.00 O ATOM 684 CB THR A 49 65.922 9.749 -0.537 1.00 0.00 C ATOM 685 OG1 THR A 49 65.945 10.313 0.767 1.00 0.00 O ATOM 686 CG2 THR A 49 65.216 10.706 -1.500 1.00 0.00 C ATOM 0 H THR A 49 64.650 8.037 1.534 1.00 0.00 H new ATOM 0 HA THR A 49 64.112 8.522 -0.713 1.00 0.00 H new ATOM 0 HB THR A 49 66.944 9.585 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 49 65.027 10.427 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.749 11.657 -1.524 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.203 10.272 -2.500 1.00 0.00 H new ATOM 0 HG23 THR A 49 64.193 10.872 -1.163 1.00 0.00 H new ATOM 694 N SER A 50 65.104 6.348 -1.783 1.00 0.00 N ATOM 695 CA SER A 50 65.611 5.407 -2.824 1.00 0.00 C ATOM 696 C SER A 50 64.452 4.786 -3.605 1.00 0.00 C ATOM 697 O SER A 50 63.432 4.437 -3.052 1.00 0.00 O ATOM 698 CB SER A 50 66.382 4.334 -2.054 1.00 0.00 C ATOM 699 OG SER A 50 66.923 3.395 -2.975 1.00 0.00 O ATOM 0 H SER A 50 64.266 6.043 -1.287 1.00 0.00 H new ATOM 0 HA SER A 50 66.240 5.913 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.181 4.792 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.721 3.830 -1.349 1.00 0.00 H new ATOM 0 HG SER A 50 67.420 2.706 -2.486 1.00 0.00 H new ATOM 705 N THR A 51 64.609 4.642 -4.893 1.00 0.00 N ATOM 706 CA THR A 51 63.521 4.037 -5.711 1.00 0.00 C ATOM 707 C THR A 51 63.881 2.594 -6.072 1.00 0.00 C ATOM 708 O THR A 51 63.825 2.197 -7.219 1.00 0.00 O ATOM 709 CB THR A 51 63.440 4.904 -6.969 1.00 0.00 C ATOM 710 OG1 THR A 51 64.592 4.679 -7.770 1.00 0.00 O ATOM 711 CG2 THR A 51 63.368 6.380 -6.574 1.00 0.00 C ATOM 0 H THR A 51 65.442 4.917 -5.413 1.00 0.00 H new ATOM 0 HA THR A 51 62.569 4.006 -5.180 1.00 0.00 H new ATOM 0 HB THR A 51 62.546 4.641 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 51 65.348 4.436 -7.195 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.310 6.995 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 51 62.483 6.550 -5.961 1.00 0.00 H new ATOM 0 HG23 THR A 51 64.259 6.649 -6.007 1.00 0.00 H new ATOM 719 N SER A 52 64.247 1.806 -5.099 1.00 0.00 N ATOM 720 CA SER A 52 64.611 0.388 -5.383 1.00 0.00 C ATOM 721 C SER A 52 63.368 -0.495 -5.287 1.00 0.00 C ATOM 722 O SER A 52 63.334 -1.465 -4.557 1.00 0.00 O ATOM 723 CB SER A 52 65.619 0.012 -4.299 1.00 0.00 C ATOM 724 OG SER A 52 66.550 -0.922 -4.826 1.00 0.00 O ATOM 0 H SER A 52 64.310 2.082 -4.119 1.00 0.00 H new ATOM 0 HA SER A 52 65.024 0.256 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.140 0.902 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.103 -0.417 -3.440 1.00 0.00 H new ATOM 0 HG SER A 52 67.056 -0.504 -5.554 1.00 0.00 H new ATOM 730 N THR A 53 62.342 -0.161 -6.019 1.00 0.00 N ATOM 731 CA THR A 53 61.096 -0.975 -5.975 1.00 0.00 C ATOM 732 C THR A 53 61.211 -2.167 -6.928 1.00 0.00 C ATOM 733 O THR A 53 62.162 -2.287 -7.676 1.00 0.00 O ATOM 734 CB THR A 53 59.987 -0.023 -6.429 1.00 0.00 C ATOM 735 OG1 THR A 53 60.430 0.712 -7.561 1.00 0.00 O ATOM 736 CG2 THR A 53 59.645 0.942 -5.294 1.00 0.00 C ATOM 0 H THR A 53 62.313 0.642 -6.647 1.00 0.00 H new ATOM 0 HA THR A 53 60.900 -1.383 -4.983 1.00 0.00 H new ATOM 0 HB THR A 53 59.100 -0.598 -6.694 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.662 0.933 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 53 58.855 1.620 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.305 0.377 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.531 1.518 -5.027 1.00 0.00 H new ATOM 744 N GLY A 54 60.251 -3.050 -6.907 1.00 0.00 N ATOM 745 CA GLY A 54 60.306 -4.236 -7.807 1.00 0.00 C ATOM 746 C GLY A 54 60.933 -5.413 -7.061 1.00 0.00 C ATOM 747 O GLY A 54 60.788 -6.556 -7.449 1.00 0.00 O ATOM 0 H GLY A 54 59.430 -3.001 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.303 -4.498 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 54 60.890 -4.003 -8.697 1.00 0.00 H new ATOM 751 N SER A 55 61.631 -5.146 -5.990 1.00 0.00 N ATOM 752 CA SER A 55 62.265 -6.252 -5.218 1.00 0.00 C ATOM 753 C SER A 55 61.821 -6.204 -3.755 1.00 0.00 C ATOM 754 O SER A 55 61.456 -5.167 -3.239 1.00 0.00 O ATOM 755 CB SER A 55 63.768 -5.998 -5.332 1.00 0.00 C ATOM 756 OG SER A 55 64.211 -5.286 -4.184 1.00 0.00 O ATOM 0 H SER A 55 61.789 -4.210 -5.617 1.00 0.00 H new ATOM 0 HA SER A 55 61.985 -7.234 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 55 64.303 -6.944 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 55 63.985 -5.427 -6.235 1.00 0.00 H new ATOM 0 HG SER A 55 65.175 -5.122 -4.252 1.00 0.00 H new ATOM 762 N ARG A 56 61.852 -7.322 -3.084 1.00 0.00 N ATOM 763 CA ARG A 56 61.436 -7.349 -1.652 1.00 0.00 C ATOM 764 C ARG A 56 62.657 -7.130 -0.758 1.00 0.00 C ATOM 765 O ARG A 56 63.565 -7.937 -0.725 1.00 0.00 O ATOM 766 CB ARG A 56 60.850 -8.749 -1.447 1.00 0.00 C ATOM 767 CG ARG A 56 60.480 -8.951 0.022 1.00 0.00 C ATOM 768 CD ARG A 56 59.750 -10.287 0.180 1.00 0.00 C ATOM 769 NE ARG A 56 58.628 -10.229 -0.797 1.00 0.00 N ATOM 770 CZ ARG A 56 58.084 -11.332 -1.233 1.00 0.00 C ATOM 771 NH1 ARG A 56 57.482 -12.137 -0.399 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.144 -11.632 -2.502 1.00 0.00 N ATOM 0 H ARG A 56 62.148 -8.220 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 56 60.716 -6.569 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 59.968 -8.878 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 61.573 -9.504 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.378 -8.939 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 56 59.845 -8.134 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.413 -11.127 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 56 59.381 -10.418 1.197 1.00 0.00 H new ATOM 0 HE ARG A 56 58.284 -9.327 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 56 57.437 -11.903 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 56 57.057 -12.999 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 56 58.616 -11.004 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 57.719 -12.494 -2.843 1.00 0.00 H new ATOM 786 N ILE A 57 62.701 -6.038 -0.043 1.00 0.00 N ATOM 787 CA ILE A 57 63.883 -5.776 0.828 1.00 0.00 C ATOM 788 C ILE A 57 63.580 -6.105 2.288 1.00 0.00 C ATOM 789 O ILE A 57 62.477 -5.931 2.767 1.00 0.00 O ATOM 790 CB ILE A 57 64.180 -4.288 0.676 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.670 -4.018 -0.761 1.00 0.00 C ATOM 792 CG2 ILE A 57 65.250 -3.894 1.705 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.923 -3.132 -0.758 1.00 0.00 C ATOM 0 H ILE A 57 61.976 -5.321 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 57 64.730 -6.398 0.538 1.00 0.00 H new ATOM 0 HB ILE A 57 63.284 -3.693 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 57 64.890 -4.963 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.879 -3.533 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 57 65.474 -2.832 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 64.881 -4.098 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 57 66.156 -4.473 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 57 66.247 -2.957 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.693 -2.178 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 57 66.720 -3.630 -0.205 1.00 0.00 H new ATOM 805 N SER A 58 64.569 -6.568 2.999 1.00 0.00 N ATOM 806 CA SER A 58 64.377 -6.903 4.441 1.00 0.00 C ATOM 807 C SER A 58 65.672 -6.632 5.211 1.00 0.00 C ATOM 808 O SER A 58 66.754 -6.700 4.660 1.00 0.00 O ATOM 809 CB SER A 58 64.038 -8.393 4.465 1.00 0.00 C ATOM 810 OG SER A 58 62.662 -8.565 4.154 1.00 0.00 O ATOM 0 H SER A 58 65.510 -6.731 2.642 1.00 0.00 H new ATOM 0 HA SER A 58 63.593 -6.306 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 64.656 -8.930 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 58 64.256 -8.812 5.447 1.00 0.00 H new ATOM 0 HG SER A 58 62.301 -7.728 3.795 1.00 0.00 H new ATOM 816 N GLY A 59 65.584 -6.330 6.479 1.00 0.00 N ATOM 817 CA GLY A 59 66.828 -6.069 7.256 1.00 0.00 C ATOM 818 C GLY A 59 66.488 -5.408 8.593 1.00 0.00 C ATOM 819 O GLY A 59 65.868 -4.365 8.626 1.00 0.00 O ATOM 0 H GLY A 59 64.713 -6.254 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.360 -7.004 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 59 67.495 -5.425 6.683 1.00 0.00 H new ATOM 823 N PRO A 60 66.934 -6.021 9.657 1.00 0.00 N ATOM 824 CA PRO A 60 66.695 -5.455 11.003 1.00 0.00 C ATOM 825 C PRO A 60 67.599 -4.232 11.191 1.00 0.00 C ATOM 826 O PRO A 60 67.514 -3.519 12.173 1.00 0.00 O ATOM 827 CB PRO A 60 67.085 -6.589 11.947 1.00 0.00 C ATOM 828 CG PRO A 60 68.049 -7.429 11.167 1.00 0.00 C ATOM 829 CD PRO A 60 67.695 -7.275 9.709 1.00 0.00 C ATOM 0 HA PRO A 60 65.671 -5.122 11.174 1.00 0.00 H new ATOM 0 HB2 PRO A 60 67.544 -6.204 12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.213 -7.168 12.250 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.075 -7.108 11.350 1.00 0.00 H new ATOM 0 HG3 PRO A 60 67.983 -8.474 11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.587 -7.226 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.102 -8.117 9.352 1.00 0.00 H new ATOM 837 N GLY A 61 68.457 -3.990 10.235 1.00 0.00 N ATOM 838 CA GLY A 61 69.376 -2.824 10.301 1.00 0.00 C ATOM 839 C GLY A 61 69.843 -2.514 8.878 1.00 0.00 C ATOM 840 O GLY A 61 70.953 -2.074 8.654 1.00 0.00 O ATOM 0 H GLY A 61 68.558 -4.564 9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 61 68.868 -1.962 10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 61 70.229 -3.046 10.943 1.00 0.00 H new ATOM 844 N CYS A 62 68.995 -2.761 7.909 1.00 0.00 N ATOM 845 CA CYS A 62 69.368 -2.505 6.488 1.00 0.00 C ATOM 846 C CYS A 62 69.404 -0.999 6.201 1.00 0.00 C ATOM 847 O CYS A 62 68.554 -0.252 6.640 1.00 0.00 O ATOM 848 CB CYS A 62 68.251 -3.184 5.684 1.00 0.00 C ATOM 849 SG CYS A 62 68.206 -2.526 3.999 1.00 0.00 S ATOM 0 H CYS A 62 68.055 -3.132 8.046 1.00 0.00 H new ATOM 0 HA CYS A 62 70.358 -2.887 6.237 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.415 -4.261 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 62 67.290 -3.020 6.172 1.00 0.00 H new ATOM 854 N LYS A 63 70.378 -0.558 5.455 1.00 0.00 N ATOM 855 CA LYS A 63 70.474 0.893 5.120 1.00 0.00 C ATOM 856 C LYS A 63 70.714 1.065 3.618 1.00 0.00 C ATOM 857 O LYS A 63 71.770 0.742 3.112 1.00 0.00 O ATOM 858 CB LYS A 63 71.676 1.408 5.914 1.00 0.00 C ATOM 859 CG LYS A 63 71.447 1.176 7.409 1.00 0.00 C ATOM 860 CD LYS A 63 71.405 2.523 8.134 1.00 0.00 C ATOM 861 CE LYS A 63 71.806 2.331 9.599 1.00 0.00 C ATOM 862 NZ LYS A 63 72.192 3.689 10.072 1.00 0.00 N ATOM 0 H LYS A 63 71.116 -1.142 5.060 1.00 0.00 H new ATOM 0 HA LYS A 63 69.562 1.437 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 63 72.583 0.896 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.824 2.470 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 70.512 0.638 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.244 0.556 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.081 3.229 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.403 2.949 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 63 70.980 1.929 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.635 1.630 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.480 3.640 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 72.985 4.044 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.381 4.333 9.977 1.00 0.00 H new ATOM 876 N ILE A 64 69.745 1.569 2.899 1.00 0.00 N ATOM 877 CA ILE A 64 69.930 1.755 1.428 1.00 0.00 C ATOM 878 C ILE A 64 70.264 3.222 1.123 1.00 0.00 C ATOM 879 O ILE A 64 70.221 4.070 1.993 1.00 0.00 O ATOM 880 CB ILE A 64 68.589 1.336 0.802 1.00 0.00 C ATOM 881 CG1 ILE A 64 68.843 0.739 -0.584 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.655 2.544 0.662 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.547 0.127 -1.120 1.00 0.00 C ATOM 0 H ILE A 64 68.838 1.859 3.264 1.00 0.00 H new ATOM 0 HA ILE A 64 70.753 1.164 1.027 1.00 0.00 H new ATOM 0 HB ILE A 64 68.117 0.599 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.202 1.511 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 64 69.621 -0.022 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.712 2.225 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.465 2.973 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.123 3.293 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.727 -0.299 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.208 -0.657 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.782 0.900 -1.192 1.00 0.00 H new ATOM 895 N SER A 65 70.602 3.530 -0.102 1.00 0.00 N ATOM 896 CA SER A 65 70.940 4.943 -0.439 1.00 0.00 C ATOM 897 C SER A 65 70.631 5.245 -1.910 1.00 0.00 C ATOM 898 O SER A 65 71.445 5.019 -2.782 1.00 0.00 O ATOM 899 CB SER A 65 72.440 5.060 -0.174 1.00 0.00 C ATOM 900 OG SER A 65 72.664 5.154 1.228 1.00 0.00 O ATOM 0 H SER A 65 70.658 2.870 -0.877 1.00 0.00 H new ATOM 0 HA SER A 65 70.358 5.652 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 65 72.961 4.193 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 65 72.843 5.939 -0.678 1.00 0.00 H new ATOM 0 HG SER A 65 71.835 4.945 1.707 1.00 0.00 H new ATOM 906 N THR A 66 69.466 5.768 -2.183 1.00 0.00 N ATOM 907 CA THR A 66 69.086 6.110 -3.590 1.00 0.00 C ATOM 908 C THR A 66 69.438 4.978 -4.561 1.00 0.00 C ATOM 909 O THR A 66 70.585 4.772 -4.907 1.00 0.00 O ATOM 910 CB THR A 66 69.876 7.377 -3.931 1.00 0.00 C ATOM 911 OG1 THR A 66 71.088 7.401 -3.191 1.00 0.00 O ATOM 912 CG2 THR A 66 69.036 8.609 -3.583 1.00 0.00 C ATOM 0 H THR A 66 68.752 5.976 -1.485 1.00 0.00 H new ATOM 0 HA THR A 66 68.010 6.261 -3.680 1.00 0.00 H new ATOM 0 HB THR A 66 70.108 7.383 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.575 6.563 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 66 69.597 9.512 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 66 68.110 8.592 -4.158 1.00 0.00 H new ATOM 0 HG23 THR A 66 68.803 8.601 -2.518 1.00 0.00 H new ATOM 920 N CYS A 67 68.451 4.257 -5.019 1.00 0.00 N ATOM 921 CA CYS A 67 68.714 3.152 -5.984 1.00 0.00 C ATOM 922 C CYS A 67 67.716 3.229 -7.145 1.00 0.00 C ATOM 923 O CYS A 67 66.709 3.905 -7.064 1.00 0.00 O ATOM 924 CB CYS A 67 68.523 1.863 -5.181 1.00 0.00 C ATOM 925 SG CYS A 67 68.545 0.440 -6.301 1.00 0.00 S ATOM 0 H CYS A 67 67.471 4.386 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 67 69.712 3.205 -6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 67 69.314 1.765 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 67 67.578 1.897 -4.639 1.00 0.00 H new ATOM 0 HG CYS A 67 67.512 0.492 -7.089 1.00 0.00 H new ATOM 930 N ILE A 68 67.993 2.555 -8.226 1.00 0.00 N ATOM 931 CA ILE A 68 67.069 2.601 -9.397 1.00 0.00 C ATOM 932 C ILE A 68 65.883 1.652 -9.195 1.00 0.00 C ATOM 933 O ILE A 68 65.882 0.813 -8.316 1.00 0.00 O ATOM 934 CB ILE A 68 67.918 2.139 -10.580 1.00 0.00 C ATOM 935 CG1 ILE A 68 68.946 3.218 -10.925 1.00 0.00 C ATOM 936 CG2 ILE A 68 67.019 1.884 -11.791 1.00 0.00 C ATOM 937 CD1 ILE A 68 70.310 2.824 -10.354 1.00 0.00 C ATOM 0 H ILE A 68 68.821 1.972 -8.351 1.00 0.00 H new ATOM 0 HA ILE A 68 66.650 3.596 -9.545 1.00 0.00 H new ATOM 0 HB ILE A 68 68.435 1.217 -10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 68 69.014 3.339 -12.006 1.00 0.00 H new ATOM 0 HG13 ILE A 68 68.632 4.178 -10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 68 67.628 1.555 -12.633 1.00 0.00 H new ATOM 0 HG22 ILE A 68 66.290 1.112 -11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 68 66.498 2.804 -12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.043 3.592 -10.600 1.00 0.00 H new ATOM 0 HD12 ILE A 68 70.236 2.726 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 68 70.624 1.873 -10.784 1.00 0.00 H new ATOM 949 N ILE A 69 64.878 1.775 -10.020 1.00 0.00 N ATOM 950 CA ILE A 69 63.694 0.877 -9.899 1.00 0.00 C ATOM 951 C ILE A 69 63.968 -0.428 -10.647 1.00 0.00 C ATOM 952 O ILE A 69 64.231 -0.426 -11.834 1.00 0.00 O ATOM 953 CB ILE A 69 62.545 1.641 -10.558 1.00 0.00 C ATOM 954 CG1 ILE A 69 62.198 2.871 -9.714 1.00 0.00 C ATOM 955 CG2 ILE A 69 61.319 0.731 -10.658 1.00 0.00 C ATOM 956 CD1 ILE A 69 60.864 3.457 -10.187 1.00 0.00 C ATOM 0 H ILE A 69 64.826 2.460 -10.774 1.00 0.00 H new ATOM 0 HA ILE A 69 63.465 0.620 -8.865 1.00 0.00 H new ATOM 0 HB ILE A 69 62.846 1.958 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 69 62.133 2.596 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 69 62.987 3.619 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 60.499 1.275 -11.128 1.00 0.00 H new ATOM 0 HG22 ILE A 69 61.564 -0.145 -11.258 1.00 0.00 H new ATOM 0 HG23 ILE A 69 61.019 0.414 -9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 69 60.618 4.332 -9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 69 60.945 3.747 -11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 69 60.079 2.709 -10.078 1.00 0.00 H new ATOM 968 N THR A 70 63.922 -1.541 -9.970 1.00 0.00 N ATOM 969 CA THR A 70 64.195 -2.832 -10.663 1.00 0.00 C ATOM 970 C THR A 70 63.390 -3.968 -10.024 1.00 0.00 C ATOM 971 O THR A 70 63.262 -4.051 -8.819 1.00 0.00 O ATOM 972 CB THR A 70 65.698 -3.063 -10.480 1.00 0.00 C ATOM 973 OG1 THR A 70 66.353 -1.807 -10.352 1.00 0.00 O ATOM 974 CG2 THR A 70 66.257 -3.811 -11.693 1.00 0.00 C ATOM 0 H THR A 70 63.709 -1.614 -8.975 1.00 0.00 H new ATOM 0 HA THR A 70 63.909 -2.805 -11.714 1.00 0.00 H new ATOM 0 HB THR A 70 65.868 -3.658 -9.583 1.00 0.00 H new ATOM 0 HG1 THR A 70 67.315 -1.950 -10.233 1.00 0.00 H new ATOM 0 HG21 THR A 70 67.326 -3.973 -11.559 1.00 0.00 H new ATOM 0 HG22 THR A 70 65.753 -4.773 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 70 66.090 -3.220 -12.594 1.00 0.00 H new ATOM 982 N GLY A 71 62.847 -4.845 -10.826 1.00 0.00 N ATOM 983 CA GLY A 71 62.051 -5.976 -10.269 1.00 0.00 C ATOM 984 C GLY A 71 62.994 -7.095 -9.828 1.00 0.00 C ATOM 985 O GLY A 71 62.898 -8.217 -10.284 1.00 0.00 O ATOM 0 H GLY A 71 62.921 -4.826 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 71 61.455 -5.633 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 71 61.354 -6.348 -11.020 1.00 0.00 H new ATOM 989 N GLY A 72 63.903 -6.802 -8.938 1.00 0.00 N ATOM 990 CA GLY A 72 64.847 -7.853 -8.467 1.00 0.00 C ATOM 991 C GLY A 72 66.274 -7.302 -8.451 1.00 0.00 C ATOM 992 O GLY A 72 67.005 -7.414 -9.416 1.00 0.00 O ATOM 0 H GLY A 72 64.032 -5.882 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 72 64.565 -8.186 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 72 64.791 -8.723 -9.121 1.00 0.00 H new ATOM 1091 N LYS A 81 73.348 1.550 -3.737 1.00 0.00 N ATOM 1092 CA LYS A 81 74.169 1.545 -2.493 1.00 0.00 C ATOM 1093 C LYS A 81 73.384 0.894 -1.352 1.00 0.00 C ATOM 1094 O LYS A 81 72.443 1.460 -0.832 1.00 0.00 O ATOM 1095 CB LYS A 81 74.439 3.018 -2.189 1.00 0.00 C ATOM 1096 CG LYS A 81 75.805 3.412 -2.749 1.00 0.00 C ATOM 1097 CD LYS A 81 75.683 3.685 -4.248 1.00 0.00 C ATOM 1098 CE LYS A 81 76.965 3.237 -4.954 1.00 0.00 C ATOM 1099 NZ LYS A 81 77.728 4.493 -5.195 1.00 0.00 N ATOM 0 HA LYS A 81 75.094 0.980 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 81 73.660 3.640 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 81 74.412 3.189 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 81 76.178 4.299 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 81 76.526 2.614 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 81 74.825 3.152 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 81 75.511 4.747 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 81 77.534 2.541 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 81 76.742 2.724 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 78.622 4.269 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 77.164 5.133 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 77.931 4.956 -4.286 1.00 0.00 H new ATOM 1113 N ILE A 82 73.762 -0.291 -0.961 1.00 0.00 N ATOM 1114 CA ILE A 82 73.033 -0.974 0.142 1.00 0.00 C ATOM 1115 C ILE A 82 74.015 -1.455 1.212 1.00 0.00 C ATOM 1116 O ILE A 82 75.183 -1.662 0.947 1.00 0.00 O ATOM 1117 CB ILE A 82 72.337 -2.164 -0.520 1.00 0.00 C ATOM 1118 CG1 ILE A 82 71.535 -2.929 0.539 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.382 -3.081 -1.163 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.442 -3.887 1.323 1.00 0.00 C ATOM 0 H ILE A 82 74.543 -0.815 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 82 72.325 -0.311 0.639 1.00 0.00 H new ATOM 0 HB ILE A 82 71.659 -1.811 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 82 71.064 -2.224 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 82 70.734 -3.491 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 82 72.883 -3.928 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.940 -2.525 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.068 -3.444 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 82 71.851 -4.419 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 82 72.892 -4.605 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.228 -3.319 1.821 1.00 0.00 H new ATOM 1132 N SER A 83 73.552 -1.635 2.418 1.00 0.00 N ATOM 1133 CA SER A 83 74.464 -2.103 3.500 1.00 0.00 C ATOM 1134 C SER A 83 73.704 -2.976 4.503 1.00 0.00 C ATOM 1135 O SER A 83 73.203 -2.499 5.502 1.00 0.00 O ATOM 1136 CB SER A 83 74.967 -0.827 4.173 1.00 0.00 C ATOM 1137 OG SER A 83 75.896 -1.168 5.194 1.00 0.00 O ATOM 0 H SER A 83 72.585 -1.479 2.701 1.00 0.00 H new ATOM 0 HA SER A 83 75.281 -2.711 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 83 75.440 -0.177 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 83 74.130 -0.272 4.597 1.00 0.00 H new ATOM 0 HG SER A 83 76.221 -0.351 5.626 1.00 0.00 H new ATOM 1143 N GLY A 84 73.622 -4.255 4.251 1.00 0.00 N ATOM 1144 CA GLY A 84 72.904 -5.158 5.195 1.00 0.00 C ATOM 1145 C GLY A 84 71.434 -5.269 4.787 1.00 0.00 C ATOM 1146 O GLY A 84 70.545 -4.927 5.542 1.00 0.00 O ATOM 0 H GLY A 84 74.021 -4.713 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 84 73.367 -6.145 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 84 72.981 -4.772 6.212 1.00 0.00 H new ATOM 1150 N CYS A 85 71.168 -5.742 3.602 1.00 0.00 N ATOM 1151 CA CYS A 85 69.752 -5.871 3.154 1.00 0.00 C ATOM 1152 C CYS A 85 69.552 -7.141 2.323 1.00 0.00 C ATOM 1153 O CYS A 85 70.474 -7.661 1.726 1.00 0.00 O ATOM 1154 CB CYS A 85 69.500 -4.638 2.286 1.00 0.00 C ATOM 1155 SG CYS A 85 69.949 -3.149 3.207 1.00 0.00 S ATOM 0 H CYS A 85 71.868 -6.045 2.925 1.00 0.00 H new ATOM 0 HA CYS A 85 69.068 -5.937 4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.085 -4.701 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.451 -4.595 1.993 1.00 0.00 H new ATOM 1160 N THR A 86 68.343 -7.628 2.269 1.00 0.00 N ATOM 1161 CA THR A 86 68.055 -8.850 1.463 1.00 0.00 C ATOM 1162 C THR A 86 67.166 -8.468 0.277 1.00 0.00 C ATOM 1163 O THR A 86 66.493 -7.459 0.305 1.00 0.00 O ATOM 1164 CB THR A 86 67.308 -9.796 2.409 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.055 -9.135 3.642 1.00 0.00 O ATOM 1166 CG2 THR A 86 68.155 -11.045 2.660 1.00 0.00 C ATOM 0 H THR A 86 67.537 -7.230 2.751 1.00 0.00 H new ATOM 0 HA THR A 86 68.958 -9.316 1.068 1.00 0.00 H new ATOM 0 HB THR A 86 66.361 -10.088 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 86 66.722 -9.782 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.622 -11.717 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 86 68.343 -11.553 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 86 69.104 -10.756 3.112 1.00 0.00 H new ATOM 1174 N PHE A 87 67.154 -9.252 -0.766 1.00 0.00 N ATOM 1175 CA PHE A 87 66.295 -8.895 -1.936 1.00 0.00 C ATOM 1176 C PHE A 87 65.724 -10.156 -2.592 1.00 0.00 C ATOM 1177 O PHE A 87 66.217 -11.250 -2.399 1.00 0.00 O ATOM 1178 CB PHE A 87 67.210 -8.153 -2.919 1.00 0.00 C ATOM 1179 CG PHE A 87 68.257 -7.358 -2.170 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.923 -6.130 -1.585 1.00 0.00 C ATOM 1181 CD2 PHE A 87 69.563 -7.851 -2.062 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.895 -5.396 -0.893 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.534 -7.118 -1.370 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.200 -5.892 -0.787 1.00 0.00 C ATOM 0 H PHE A 87 67.693 -10.113 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 87 65.447 -8.281 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 87 67.694 -8.868 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 87 66.617 -7.486 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 87 66.916 -5.749 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 87 69.821 -8.798 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.638 -4.449 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.541 -7.499 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.950 -5.327 -0.254 1.00 0.00 H new ATOM 1194 N SER A 88 64.688 -10.006 -3.373 1.00 0.00 N ATOM 1195 CA SER A 88 64.080 -11.186 -4.052 1.00 0.00 C ATOM 1196 C SER A 88 62.834 -10.764 -4.836 1.00 0.00 C ATOM 1197 O SER A 88 61.755 -11.282 -4.625 1.00 0.00 O ATOM 1198 CB SER A 88 63.698 -12.141 -2.920 1.00 0.00 C ATOM 1199 OG SER A 88 64.024 -13.473 -3.296 1.00 0.00 O ATOM 0 H SER A 88 64.235 -9.114 -3.570 1.00 0.00 H new ATOM 0 HA SER A 88 64.764 -11.647 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 88 64.227 -11.870 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 88 62.632 -12.062 -2.707 1.00 0.00 H new ATOM 0 HG SER A 88 63.781 -14.086 -2.571 1.00 0.00 H new ATOM 1205 N ALA A 89 62.974 -9.827 -5.737 1.00 0.00 N ATOM 1206 CA ALA A 89 61.795 -9.371 -6.529 1.00 0.00 C ATOM 1207 C ALA A 89 60.577 -9.226 -5.611 1.00 0.00 C ATOM 1208 O ALA A 89 60.697 -9.226 -4.402 1.00 0.00 O ATOM 1209 CB ALA A 89 61.562 -10.467 -7.569 1.00 0.00 C ATOM 0 H ALA A 89 63.853 -9.359 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 89 61.959 -8.401 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.708 -10.202 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 89 62.449 -10.570 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 89 61.363 -11.412 -7.063 1.00 0.00 H new ATOM 1215 N ASN A 90 59.406 -9.103 -6.169 1.00 0.00 N ATOM 1216 CA ASN A 90 58.194 -8.962 -5.312 1.00 0.00 C ATOM 1217 C ASN A 90 56.924 -9.093 -6.162 1.00 0.00 C ATOM 1218 O ASN A 90 56.067 -9.878 -5.791 1.00 0.00 O ATOM 1219 CB ASN A 90 58.309 -7.565 -4.680 1.00 0.00 C ATOM 1220 CG ASN A 90 57.701 -6.509 -5.611 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.609 -5.893 -5.253 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 58.227 -6.245 -6.675 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 56.834 -8.406 -7.165 1.00 0.00 O ATOM 0 H ASN A 90 59.235 -9.094 -7.174 1.00 0.00 H new ATOM 0 HA ASN A 90 58.131 -9.737 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 90 57.797 -7.550 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 90 59.356 -7.330 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.081 -6.727 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 90 57.814 -5.542 -7.287 1.00 0.00 H new