USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 64 ASN : amide:sc= 0 X(o=-0.9,f=-0.9) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 1 MET CE :methyl -164:sc=-0.000619 (180deg=-0.419) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.9!) USER MOD Single : A 5 TYR OH : rot 112:sc= 1.38 USER MOD Single : A 8 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.16) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.959 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -110:sc= -0.662 USER MOD Single : A 15 SER OG : rot 100:sc= -4.16! USER MOD Single : A 17 GLN : amide:sc= -0.0849 X(o=-0.085,f=0.0093) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 0.459 (180deg=0.0481) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.0773 X(o=0.077,f=-0.0092) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.296 (180deg=-1.18!) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.589 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 0.569 (180deg=-1.16!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= -0.144 (180deg=-0.191) USER MOD Single : A 50 MET CE :methyl -139:sc= -4.8! (180deg=-11.9!) USER MOD Single : A 51 GLN : amide:sc= -0.0691 K(o=-0.069,f=-2.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 70:sc= 1.07 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 48:sc= 1.84 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.734 5.742 -14.996 1.00 0.00 N ATOM 2 CA MET A 1 2.186 4.550 -14.233 1.00 0.00 C ATOM 3 C MET A 1 3.342 4.900 -13.299 1.00 0.00 C ATOM 4 O MET A 1 4.449 5.197 -13.749 1.00 0.00 O ATOM 5 CB MET A 1 2.616 3.470 -15.228 1.00 0.00 C ATOM 6 CG MET A 1 1.938 2.128 -14.999 1.00 0.00 C ATOM 7 SD MET A 1 2.995 0.734 -15.436 1.00 0.00 S ATOM 8 CE MET A 1 3.546 1.224 -17.068 1.00 0.00 C ATOM 0 H1 MET A 1 0.948 5.476 -15.623 1.00 0.00 H new ATOM 0 H2 MET A 1 1.415 6.478 -14.334 1.00 0.00 H new ATOM 0 H3 MET A 1 2.523 6.108 -15.567 1.00 0.00 H new ATOM 0 HA MET A 1 1.365 4.186 -13.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.396 3.811 -16.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.696 3.338 -15.164 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.649 2.045 -13.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.022 2.083 -15.587 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.966 0.361 -17.584 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.700 1.611 -17.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.307 1.999 -16.978 1.00 0.00 H new ATOM 20 N ARG A 2 3.077 4.860 -11.998 1.00 0.00 N ATOM 21 CA ARG A 2 4.095 5.171 -11.001 1.00 0.00 C ATOM 22 C ARG A 2 4.065 4.160 -9.859 1.00 0.00 C ATOM 23 O ARG A 2 3.180 3.307 -9.796 1.00 0.00 O ATOM 24 CB ARG A 2 3.886 6.584 -10.452 1.00 0.00 C ATOM 25 CG ARG A 2 3.682 7.633 -11.534 1.00 0.00 C ATOM 26 CD ARG A 2 5.007 8.095 -12.118 1.00 0.00 C ATOM 27 NE ARG A 2 4.989 9.515 -12.460 1.00 0.00 N ATOM 28 CZ ARG A 2 5.104 10.495 -11.565 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.243 10.212 -10.276 1.00 0.00 N ATOM 30 NH2 ARG A 2 5.078 11.760 -11.961 1.00 0.00 N ATOM 0 H ARG A 2 2.166 4.615 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 2 5.070 5.117 -11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.020 6.583 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.749 6.861 -9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.057 7.223 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.149 8.488 -11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.805 7.905 -11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.234 7.510 -13.009 1.00 0.00 H new ATOM 0 HE ARG A 2 4.882 9.771 -13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.262 9.240 -9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.331 10.966 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.970 11.983 -12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.166 12.511 -11.276 1.00 0.00 H new ATOM 44 N ASN A 3 5.037 4.260 -8.959 1.00 0.00 N ATOM 45 CA ASN A 3 5.121 3.353 -7.821 1.00 0.00 C ATOM 46 C ASN A 3 4.624 4.030 -6.546 1.00 0.00 C ATOM 47 O ASN A 3 4.907 5.203 -6.304 1.00 0.00 O ATOM 48 CB ASN A 3 6.561 2.873 -7.629 1.00 0.00 C ATOM 49 CG ASN A 3 6.846 1.588 -8.382 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.955 1.007 -9.001 1.00 0.00 O ATOM 51 ND2 ASN A 3 8.094 1.136 -8.329 1.00 0.00 N ATOM 0 H ASN A 3 5.778 4.960 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 3 4.483 2.493 -8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.248 3.649 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.751 2.719 -6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.345 0.275 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.801 1.650 -7.804 1.00 0.00 H new ATOM 58 N ILE A 4 3.883 3.281 -5.736 1.00 0.00 N ATOM 59 CA ILE A 4 3.346 3.808 -4.487 1.00 0.00 C ATOM 60 C ILE A 4 4.043 3.182 -3.284 1.00 0.00 C ATOM 61 O ILE A 4 4.281 1.976 -3.251 1.00 0.00 O ATOM 62 CB ILE A 4 1.829 3.556 -4.376 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.114 4.026 -5.645 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.262 4.261 -3.153 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.045 3.068 -6.127 1.00 0.00 C ATOM 0 H ILE A 4 3.641 2.308 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 4 3.528 4.883 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 4 1.664 2.484 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.660 4.999 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.850 4.165 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.190 4.073 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.751 3.882 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.438 5.333 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.419 3.465 -7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.496 2.100 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.712 2.948 -5.352 1.00 0.00 H new ATOM 77 N TYR A 5 4.370 4.012 -2.297 1.00 0.00 N ATOM 78 CA TYR A 5 5.040 3.539 -1.091 1.00 0.00 C ATOM 79 C TYR A 5 4.144 3.709 0.132 1.00 0.00 C ATOM 80 O TYR A 5 3.700 4.815 0.441 1.00 0.00 O ATOM 81 CB TYR A 5 6.354 4.296 -0.884 1.00 0.00 C ATOM 82 CG TYR A 5 7.320 3.592 0.043 1.00 0.00 C ATOM 83 CD1 TYR A 5 6.999 3.377 1.377 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.551 3.142 -0.418 1.00 0.00 C ATOM 85 CE1 TYR A 5 7.879 2.733 2.228 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.436 2.498 0.427 1.00 0.00 C ATOM 87 CZ TYR A 5 9.095 2.296 1.747 1.00 0.00 C ATOM 88 OH TYR A 5 9.974 1.655 2.590 1.00 0.00 O ATOM 0 H TYR A 5 4.182 5.014 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 5 5.255 2.478 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.834 4.444 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.134 5.285 -0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.047 3.718 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.821 3.298 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.615 2.573 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.390 2.155 0.054 1.00 0.00 H new ATOM 0 HH TYR A 5 10.053 0.714 2.327 1.00 0.00 H new ATOM 98 N VAL A 6 3.883 2.606 0.827 1.00 0.00 N ATOM 99 CA VAL A 6 3.042 2.634 2.018 1.00 0.00 C ATOM 100 C VAL A 6 3.728 1.944 3.192 1.00 0.00 C ATOM 101 O VAL A 6 4.282 0.854 3.047 1.00 0.00 O ATOM 102 CB VAL A 6 1.678 1.961 1.760 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.861 0.497 1.392 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.772 2.105 2.975 1.00 0.00 C ATOM 0 H VAL A 6 4.242 1.682 0.586 1.00 0.00 H new ATOM 0 HA VAL A 6 2.877 3.683 2.265 1.00 0.00 H new ATOM 0 HB VAL A 6 1.202 2.464 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.887 0.042 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.467 0.422 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.361 -0.024 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.185 1.624 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.242 1.632 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.610 3.162 3.185 1.00 0.00 H new ATOM 114 N GLY A 7 3.686 2.585 4.356 1.00 0.00 N ATOM 115 CA GLY A 7 4.307 2.017 5.539 1.00 0.00 C ATOM 116 C GLY A 7 3.307 1.747 6.645 1.00 0.00 C ATOM 117 O GLY A 7 2.097 1.801 6.424 1.00 0.00 O ATOM 0 H GLY A 7 3.233 3.487 4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.808 1.087 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.074 2.699 5.906 1.00 0.00 H new ATOM 121 N ASN A 8 3.813 1.456 7.840 1.00 0.00 N ATOM 122 CA ASN A 8 2.956 1.176 8.985 1.00 0.00 C ATOM 123 C ASN A 8 2.054 -0.023 8.711 1.00 0.00 C ATOM 124 O ASN A 8 0.916 -0.076 9.176 1.00 0.00 O ATOM 125 CB ASN A 8 2.105 2.402 9.323 1.00 0.00 C ATOM 126 CG ASN A 8 1.518 2.332 10.719 1.00 0.00 C ATOM 127 OD1 ASN A 8 0.302 2.399 10.897 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.383 2.197 11.718 1.00 0.00 N ATOM 0 H ASN A 8 4.812 1.408 8.039 1.00 0.00 H new ATOM 0 HA ASN A 8 3.595 0.939 9.836 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.716 3.300 9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.297 2.492 8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.047 2.145 12.680 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.383 2.146 11.523 1.00 0.00 H new ATOM 135 N LEU A 9 2.572 -0.984 7.953 1.00 0.00 N ATOM 136 CA LEU A 9 1.813 -2.183 7.616 1.00 0.00 C ATOM 137 C LEU A 9 2.197 -3.345 8.528 1.00 0.00 C ATOM 138 O LEU A 9 2.977 -3.181 9.465 1.00 0.00 O ATOM 139 CB LEU A 9 2.048 -2.568 6.153 1.00 0.00 C ATOM 140 CG LEU A 9 1.765 -1.459 5.136 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.912 -1.988 3.718 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.374 -0.882 5.351 1.00 0.00 C ATOM 0 H LEU A 9 3.513 -0.956 7.561 1.00 0.00 H new ATOM 0 HA LEU A 9 0.755 -1.965 7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.084 -2.888 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.421 -3.427 5.914 1.00 0.00 H new ATOM 0 HG LEU A 9 2.493 -0.661 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.707 -1.187 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.928 -2.354 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.206 -2.803 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.189 -0.095 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.369 -1.670 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.304 -0.467 6.356 1.00 0.00 H new ATOM 154 N VAL A 10 1.641 -4.519 8.245 1.00 0.00 N ATOM 155 CA VAL A 10 1.922 -5.710 9.037 1.00 0.00 C ATOM 156 C VAL A 10 1.401 -6.965 8.332 1.00 0.00 C ATOM 157 O VAL A 10 1.039 -6.918 7.156 1.00 0.00 O ATOM 158 CB VAL A 10 1.308 -5.591 10.454 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.111 -6.146 10.498 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.195 -6.280 11.484 1.00 0.00 C ATOM 0 H VAL A 10 0.993 -4.670 7.472 1.00 0.00 H new ATOM 0 HA VAL A 10 3.004 -5.796 9.141 1.00 0.00 H new ATOM 0 HB VAL A 10 1.252 -4.531 10.703 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.510 -6.046 11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.740 -5.591 9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.099 -7.199 10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.746 -6.185 12.473 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.294 -7.335 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.180 -5.813 11.486 1.00 0.00 H new ATOM 170 N TYR A 11 1.364 -8.085 9.052 1.00 0.00 N ATOM 171 CA TYR A 11 0.886 -9.345 8.488 1.00 0.00 C ATOM 172 C TYR A 11 -0.434 -9.152 7.746 1.00 0.00 C ATOM 173 O TYR A 11 -0.603 -9.632 6.625 1.00 0.00 O ATOM 174 CB TYR A 11 0.708 -10.386 9.595 1.00 0.00 C ATOM 175 CG TYR A 11 2.012 -10.922 10.142 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.641 -10.306 11.217 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.613 -12.043 9.583 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.833 -10.793 11.719 1.00 0.00 C ATOM 179 CE2 TYR A 11 3.803 -12.536 10.081 1.00 0.00 C ATOM 180 CZ TYR A 11 4.410 -11.908 11.149 1.00 0.00 C ATOM 181 OH TYR A 11 5.595 -12.397 11.649 1.00 0.00 O ATOM 0 H TYR A 11 1.659 -8.145 10.026 1.00 0.00 H new ATOM 0 HA TYR A 11 1.633 -9.697 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.137 -9.942 10.411 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.118 -11.217 9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.192 -9.433 11.667 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.142 -12.537 8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.310 -10.302 12.554 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.257 -13.409 9.636 1.00 0.00 H new ATOM 0 HH TYR A 11 5.865 -13.187 11.136 1.00 0.00 H new ATOM 191 N SER A 12 -1.364 -8.445 8.379 1.00 0.00 N ATOM 192 CA SER A 12 -2.668 -8.186 7.779 1.00 0.00 C ATOM 193 C SER A 12 -3.261 -6.885 8.311 1.00 0.00 C ATOM 194 O SER A 12 -4.391 -6.857 8.800 1.00 0.00 O ATOM 195 CB SER A 12 -3.621 -9.350 8.060 1.00 0.00 C ATOM 196 OG SER A 12 -3.311 -9.976 9.293 1.00 0.00 O ATOM 0 H SER A 12 -1.239 -8.041 9.307 1.00 0.00 H new ATOM 0 HA SER A 12 -2.534 -8.089 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.648 -8.986 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.558 -10.079 7.252 1.00 0.00 H new ATOM 0 HG SER A 12 -3.935 -10.715 9.451 1.00 0.00 H new ATOM 202 N ALA A 13 -2.488 -5.808 8.214 1.00 0.00 N ATOM 203 CA ALA A 13 -2.934 -4.502 8.686 1.00 0.00 C ATOM 204 C ALA A 13 -4.134 -4.008 7.887 1.00 0.00 C ATOM 205 O ALA A 13 -5.180 -3.689 8.452 1.00 0.00 O ATOM 206 CB ALA A 13 -1.796 -3.497 8.609 1.00 0.00 C ATOM 0 H ALA A 13 -1.550 -5.814 7.813 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.243 -4.606 9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.143 -2.527 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.968 -3.837 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.460 -3.406 7.576 1.00 0.00 H new ATOM 212 N THR A 14 -3.978 -3.947 6.568 1.00 0.00 N ATOM 213 CA THR A 14 -5.052 -3.490 5.691 1.00 0.00 C ATOM 214 C THR A 14 -4.592 -3.447 4.236 1.00 0.00 C ATOM 215 O THR A 14 -5.378 -3.695 3.322 1.00 0.00 O ATOM 216 CB THR A 14 -5.544 -2.105 6.122 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.576 -1.457 6.928 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.839 -2.148 6.906 1.00 0.00 C ATOM 0 H THR A 14 -3.119 -4.208 6.083 1.00 0.00 H new ATOM 0 HA THR A 14 -5.874 -4.201 5.773 1.00 0.00 H new ATOM 0 HB THR A 14 -5.716 -1.558 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.902 -1.403 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.132 -1.135 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.620 -2.598 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.698 -2.742 7.809 1.00 0.00 H new ATOM 226 N SER A 15 -3.319 -3.129 4.026 1.00 0.00 N ATOM 227 CA SER A 15 -2.761 -3.051 2.680 1.00 0.00 C ATOM 228 C SER A 15 -3.042 -4.326 1.895 1.00 0.00 C ATOM 229 O SER A 15 -3.573 -4.279 0.785 1.00 0.00 O ATOM 230 CB SER A 15 -1.255 -2.793 2.740 1.00 0.00 C ATOM 231 OG SER A 15 -0.694 -3.318 3.930 1.00 0.00 O ATOM 0 H SER A 15 -2.654 -2.921 4.771 1.00 0.00 H new ATOM 0 HA SER A 15 -3.243 -2.219 2.166 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.771 -3.246 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.064 -1.721 2.687 1.00 0.00 H new ATOM 0 HG SER A 15 -0.269 -4.180 3.739 1.00 0.00 H new ATOM 237 N GLU A 16 -2.692 -5.465 2.479 1.00 0.00 N ATOM 238 CA GLU A 16 -2.918 -6.750 1.831 1.00 0.00 C ATOM 239 C GLU A 16 -4.412 -7.038 1.706 1.00 0.00 C ATOM 240 O GLU A 16 -4.823 -7.919 0.950 1.00 0.00 O ATOM 241 CB GLU A 16 -2.236 -7.869 2.619 1.00 0.00 C ATOM 242 CG GLU A 16 -0.783 -7.578 2.956 1.00 0.00 C ATOM 243 CD GLU A 16 -0.379 -8.123 4.312 1.00 0.00 C ATOM 244 OE1 GLU A 16 -0.747 -7.506 5.334 1.00 0.00 O ATOM 245 OE2 GLU A 16 0.305 -9.167 4.352 1.00 0.00 O ATOM 0 H GLU A 16 -2.252 -5.525 3.397 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.488 -6.706 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.788 -8.039 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.289 -8.792 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.142 -8.012 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.618 -6.501 2.938 1.00 0.00 H new ATOM 252 N GLN A 17 -5.222 -6.291 2.454 1.00 0.00 N ATOM 253 CA GLN A 17 -6.669 -6.469 2.425 1.00 0.00 C ATOM 254 C GLN A 17 -7.316 -5.577 1.371 1.00 0.00 C ATOM 255 O GLN A 17 -8.360 -5.917 0.814 1.00 0.00 O ATOM 256 CB GLN A 17 -7.266 -6.165 3.801 1.00 0.00 C ATOM 257 CG GLN A 17 -8.764 -6.414 3.883 1.00 0.00 C ATOM 258 CD GLN A 17 -9.127 -7.867 3.648 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.411 -8.274 2.522 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.119 -8.659 4.714 1.00 0.00 N ATOM 0 H GLN A 17 -4.900 -5.558 3.086 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.873 -7.507 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.763 -6.777 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.065 -5.124 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.126 -6.107 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.273 -5.792 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.877 -8.280 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.354 -9.647 4.617 1.00 0.00 H new ATOM 269 N VAL A 18 -6.697 -4.430 1.109 1.00 0.00 N ATOM 270 CA VAL A 18 -7.223 -3.486 0.130 1.00 0.00 C ATOM 271 C VAL A 18 -6.681 -3.761 -1.272 1.00 0.00 C ATOM 272 O VAL A 18 -7.274 -3.340 -2.264 1.00 0.00 O ATOM 273 CB VAL A 18 -6.892 -2.031 0.522 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.388 -1.803 0.531 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.582 -1.053 -0.418 1.00 0.00 C ATOM 0 H VAL A 18 -5.832 -4.132 1.560 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.305 -3.621 0.121 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.266 -1.856 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.178 -0.770 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.922 -2.475 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.984 -2.000 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.336 -0.032 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.243 -1.229 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.661 -1.196 -0.364 1.00 0.00 H new ATOM 285 N LYS A 19 -5.555 -4.461 -1.352 1.00 0.00 N ATOM 286 CA LYS A 19 -4.946 -4.777 -2.641 1.00 0.00 C ATOM 287 C LYS A 19 -5.920 -5.538 -3.538 1.00 0.00 C ATOM 288 O LYS A 19 -5.869 -5.421 -4.763 1.00 0.00 O ATOM 289 CB LYS A 19 -3.670 -5.596 -2.443 1.00 0.00 C ATOM 290 CG LYS A 19 -3.899 -6.917 -1.728 1.00 0.00 C ATOM 291 CD LYS A 19 -2.914 -7.978 -2.190 1.00 0.00 C ATOM 292 CE LYS A 19 -2.977 -9.217 -1.313 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.350 -9.791 -1.260 1.00 0.00 N ATOM 0 H LYS A 19 -5.046 -4.820 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.692 -3.836 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.220 -5.793 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.953 -5.004 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.801 -6.772 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.917 -7.260 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.130 -8.251 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.903 -7.570 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.284 -9.967 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.650 -8.965 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.293 -10.809 -1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.896 -9.316 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.821 -9.650 -2.177 1.00 0.00 H new ATOM 307 N GLU A 20 -6.805 -6.314 -2.923 1.00 0.00 N ATOM 308 CA GLU A 20 -7.789 -7.090 -3.671 1.00 0.00 C ATOM 309 C GLU A 20 -8.871 -6.184 -4.248 1.00 0.00 C ATOM 310 O GLU A 20 -9.366 -6.415 -5.351 1.00 0.00 O ATOM 311 CB GLU A 20 -8.422 -8.154 -2.773 1.00 0.00 C ATOM 312 CG GLU A 20 -8.910 -7.613 -1.438 1.00 0.00 C ATOM 313 CD GLU A 20 -9.837 -8.576 -0.723 1.00 0.00 C ATOM 314 OE1 GLU A 20 -9.532 -9.786 -0.699 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.868 -8.119 -0.186 1.00 0.00 O ATOM 0 H GLU A 20 -6.862 -6.423 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.275 -7.582 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.261 -8.609 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.693 -8.944 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.052 -7.400 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.429 -6.668 -1.601 1.00 0.00 H new ATOM 322 N LEU A 21 -9.231 -5.149 -3.496 1.00 0.00 N ATOM 323 CA LEU A 21 -10.253 -4.204 -3.933 1.00 0.00 C ATOM 324 C LEU A 21 -9.637 -3.085 -4.766 1.00 0.00 C ATOM 325 O LEU A 21 -10.298 -2.499 -5.624 1.00 0.00 O ATOM 326 CB LEU A 21 -10.978 -3.614 -2.722 1.00 0.00 C ATOM 327 CG LEU A 21 -12.373 -3.057 -3.011 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.438 -4.092 -2.688 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.610 -1.779 -2.220 1.00 0.00 C ATOM 0 H LEU A 21 -8.830 -4.943 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.971 -4.741 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.063 -4.386 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.364 -2.816 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.437 -2.820 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.424 -3.678 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.279 -4.981 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.376 -4.361 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.607 -1.396 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.527 -1.990 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.866 -1.034 -2.501 1.00 0.00 H new ATOM 341 N PHE A 22 -8.366 -2.792 -4.506 1.00 0.00 N ATOM 342 CA PHE A 22 -7.654 -1.744 -5.227 1.00 0.00 C ATOM 343 C PHE A 22 -7.669 -2.001 -6.733 1.00 0.00 C ATOM 344 O PHE A 22 -7.492 -1.079 -7.529 1.00 0.00 O ATOM 345 CB PHE A 22 -6.210 -1.649 -4.726 1.00 0.00 C ATOM 346 CG PHE A 22 -5.870 -0.317 -4.117 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.281 0.860 -4.721 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.140 -0.245 -2.942 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.970 2.086 -4.163 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.826 0.978 -2.380 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.241 2.145 -2.991 1.00 0.00 C ATOM 0 H PHE A 22 -7.807 -3.268 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.163 -0.799 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.039 -2.431 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.532 -1.842 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.851 0.819 -5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.813 -1.154 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.297 2.997 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.256 1.021 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.996 3.102 -2.554 1.00 0.00 H new ATOM 361 N SER A 23 -7.879 -3.255 -7.118 1.00 0.00 N ATOM 362 CA SER A 23 -7.915 -3.625 -8.529 1.00 0.00 C ATOM 363 C SER A 23 -9.293 -3.364 -9.134 1.00 0.00 C ATOM 364 O SER A 23 -9.432 -3.241 -10.350 1.00 0.00 O ATOM 365 CB SER A 23 -7.541 -5.098 -8.700 1.00 0.00 C ATOM 366 OG SER A 23 -6.953 -5.332 -9.968 1.00 0.00 O ATOM 0 H SER A 23 -8.027 -4.032 -6.474 1.00 0.00 H new ATOM 0 HA SER A 23 -7.188 -3.007 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.846 -5.394 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.431 -5.717 -8.589 1.00 0.00 H new ATOM 0 HG SER A 23 -6.722 -6.281 -10.051 1.00 0.00 H new ATOM 372 N GLN A 24 -10.309 -3.284 -8.280 1.00 0.00 N ATOM 373 CA GLN A 24 -11.673 -3.043 -8.737 1.00 0.00 C ATOM 374 C GLN A 24 -11.972 -1.548 -8.812 1.00 0.00 C ATOM 375 O GLN A 24 -12.575 -1.075 -9.775 1.00 0.00 O ATOM 376 CB GLN A 24 -12.673 -3.726 -7.804 1.00 0.00 C ATOM 377 CG GLN A 24 -12.481 -5.230 -7.701 1.00 0.00 C ATOM 378 CD GLN A 24 -13.122 -5.817 -6.459 1.00 0.00 C ATOM 379 OE1 GLN A 24 -14.273 -5.518 -6.141 1.00 0.00 O ATOM 380 NE2 GLN A 24 -12.378 -6.659 -5.751 1.00 0.00 N ATOM 0 H GLN A 24 -10.214 -3.382 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.770 -3.463 -9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.586 -3.288 -6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.684 -3.521 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.905 -5.708 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.415 -5.457 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.428 -6.878 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.756 -7.087 -4.906 1.00 0.00 H new ATOM 389 N PHE A 25 -11.552 -0.811 -7.789 1.00 0.00 N ATOM 390 CA PHE A 25 -11.782 0.629 -7.741 1.00 0.00 C ATOM 391 C PHE A 25 -10.534 1.400 -8.160 1.00 0.00 C ATOM 392 O PHE A 25 -10.627 2.501 -8.703 1.00 0.00 O ATOM 393 CB PHE A 25 -12.206 1.051 -6.333 1.00 0.00 C ATOM 394 CG PHE A 25 -13.622 0.683 -5.997 1.00 0.00 C ATOM 395 CD1 PHE A 25 -14.670 1.095 -6.805 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.906 -0.078 -4.874 1.00 0.00 C ATOM 397 CE1 PHE A 25 -15.974 0.756 -6.498 1.00 0.00 C ATOM 398 CE2 PHE A 25 -15.208 -0.420 -4.562 1.00 0.00 C ATOM 399 CZ PHE A 25 -16.243 -0.003 -5.376 1.00 0.00 C ATOM 0 H PHE A 25 -11.051 -1.186 -6.983 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.582 0.865 -8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.537 0.589 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.087 2.130 -6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.465 1.688 -7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.100 -0.408 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.782 1.084 -7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.416 -1.012 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 25 -17.261 -0.270 -5.135 1.00 0.00 H new ATOM 409 N GLY A 26 -9.368 0.817 -7.904 1.00 0.00 N ATOM 410 CA GLY A 26 -8.121 1.467 -8.262 1.00 0.00 C ATOM 411 C GLY A 26 -7.577 0.990 -9.594 1.00 0.00 C ATOM 412 O GLY A 26 -6.786 1.685 -10.232 1.00 0.00 O ATOM 0 H GLY A 26 -9.264 -0.093 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.276 2.545 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.381 1.280 -7.484 1.00 0.00 H new ATOM 416 N LYS A 27 -7.999 -0.198 -10.017 1.00 0.00 N ATOM 417 CA LYS A 27 -7.547 -0.764 -11.280 1.00 0.00 C ATOM 418 C LYS A 27 -6.040 -1.002 -11.262 1.00 0.00 C ATOM 419 O LYS A 27 -5.373 -0.907 -12.291 1.00 0.00 O ATOM 420 CB LYS A 27 -7.918 0.164 -12.439 1.00 0.00 C ATOM 421 CG LYS A 27 -8.687 -0.530 -13.552 1.00 0.00 C ATOM 422 CD LYS A 27 -7.903 -1.700 -14.126 1.00 0.00 C ATOM 423 CE LYS A 27 -8.825 -2.737 -14.744 1.00 0.00 C ATOM 424 NZ LYS A 27 -9.869 -3.195 -13.785 1.00 0.00 N ATOM 0 H LYS A 27 -8.654 -0.786 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.044 -1.724 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.517 0.990 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.007 0.597 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.643 -0.885 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.907 0.185 -14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.205 -1.337 -14.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.309 -2.163 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.304 -2.316 -15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.237 -3.593 -15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.142 -4.173 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.492 -3.155 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.702 -2.577 -13.858 1.00 0.00 H new ATOM 438 N VAL A 28 -5.509 -1.309 -10.082 1.00 0.00 N ATOM 439 CA VAL A 28 -4.082 -1.560 -9.925 1.00 0.00 C ATOM 440 C VAL A 28 -3.607 -2.657 -10.876 1.00 0.00 C ATOM 441 O VAL A 28 -4.314 -3.636 -11.111 1.00 0.00 O ATOM 442 CB VAL A 28 -3.737 -1.960 -8.476 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.440 -3.254 -8.093 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.232 -2.088 -8.297 1.00 0.00 C ATOM 0 H VAL A 28 -6.048 -1.390 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.568 -0.629 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.091 -1.172 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.183 -3.518 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.519 -3.120 -8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.123 -4.053 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.011 -2.371 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.849 -2.852 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.756 -1.133 -8.521 1.00 0.00 H new ATOM 454 N PHE A 29 -2.407 -2.482 -11.419 1.00 0.00 N ATOM 455 CA PHE A 29 -1.839 -3.455 -12.344 1.00 0.00 C ATOM 456 C PHE A 29 -1.155 -4.590 -11.589 1.00 0.00 C ATOM 457 O PHE A 29 -1.295 -5.759 -11.946 1.00 0.00 O ATOM 458 CB PHE A 29 -0.841 -2.776 -13.282 1.00 0.00 C ATOM 459 CG PHE A 29 -1.488 -1.882 -14.302 1.00 0.00 C ATOM 460 CD1 PHE A 29 -2.124 -0.714 -13.914 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.459 -2.210 -15.648 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.719 0.111 -14.849 1.00 0.00 C ATOM 463 CE2 PHE A 29 -2.054 -1.389 -16.588 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.685 -0.227 -16.188 1.00 0.00 C ATOM 0 H PHE A 29 -1.810 -1.676 -11.235 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.653 -3.875 -12.934 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.139 -2.189 -12.689 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.261 -3.541 -13.797 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.155 -0.445 -12.868 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.966 -3.117 -15.966 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.210 1.019 -14.533 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.025 -1.656 -17.634 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.151 0.416 -16.920 1.00 0.00 H new ATOM 474 N ASN A 30 -0.413 -4.236 -10.544 1.00 0.00 N ATOM 475 CA ASN A 30 0.292 -5.226 -9.739 1.00 0.00 C ATOM 476 C ASN A 30 0.550 -4.699 -8.331 1.00 0.00 C ATOM 477 O ASN A 30 0.519 -3.492 -8.092 1.00 0.00 O ATOM 478 CB ASN A 30 1.615 -5.607 -10.407 1.00 0.00 C ATOM 479 CG ASN A 30 1.824 -7.108 -10.462 1.00 0.00 C ATOM 480 OD1 ASN A 30 2.068 -7.751 -9.441 1.00 0.00 O ATOM 481 ND2 ASN A 30 1.728 -7.675 -11.660 1.00 0.00 N ATOM 0 H ASN A 30 -0.285 -3.272 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.337 -6.113 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.638 -5.203 -11.419 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.440 -5.148 -9.862 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.858 -8.682 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.524 -7.103 -12.480 1.00 0.00 H new ATOM 488 N VAL A 31 0.807 -5.615 -7.403 1.00 0.00 N ATOM 489 CA VAL A 31 1.072 -5.247 -6.018 1.00 0.00 C ATOM 490 C VAL A 31 2.027 -6.241 -5.363 1.00 0.00 C ATOM 491 O VAL A 31 2.066 -7.414 -5.734 1.00 0.00 O ATOM 492 CB VAL A 31 -0.230 -5.178 -5.196 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.925 -6.532 -5.173 1.00 0.00 C ATOM 494 CG2 VAL A 31 0.052 -4.691 -3.782 1.00 0.00 C ATOM 0 H VAL A 31 0.837 -6.618 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 31 1.533 -4.259 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.898 -4.462 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.842 -6.461 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.168 -6.834 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.264 -7.273 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.880 -4.650 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.742 -5.378 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.496 -3.697 -3.822 1.00 0.00 H new ATOM 504 N LYS A 32 2.797 -5.766 -4.390 1.00 0.00 N ATOM 505 CA LYS A 32 3.750 -6.618 -3.690 1.00 0.00 C ATOM 506 C LYS A 32 4.422 -5.865 -2.545 1.00 0.00 C ATOM 507 O LYS A 32 4.898 -4.743 -2.721 1.00 0.00 O ATOM 508 CB LYS A 32 4.809 -7.138 -4.667 1.00 0.00 C ATOM 509 CG LYS A 32 4.884 -8.655 -4.731 1.00 0.00 C ATOM 510 CD LYS A 32 5.478 -9.129 -6.048 1.00 0.00 C ATOM 511 CE LYS A 32 6.470 -10.262 -5.838 1.00 0.00 C ATOM 512 NZ LYS A 32 7.879 -9.782 -5.879 1.00 0.00 N ATOM 0 H LYS A 32 2.780 -4.798 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 32 3.204 -7.462 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.594 -6.751 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.784 -6.746 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.489 -9.026 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.886 -9.075 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.678 -9.462 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.976 -8.296 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.277 -10.740 -4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.323 -11.021 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.524 -10.585 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.071 -9.349 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.027 -9.077 -5.129 1.00 0.00 H new ATOM 526 N LEU A 33 4.460 -6.493 -1.375 1.00 0.00 N ATOM 527 CA LEU A 33 5.078 -5.887 -0.200 1.00 0.00 C ATOM 528 C LEU A 33 6.459 -6.484 0.048 1.00 0.00 C ATOM 529 O LEU A 33 6.954 -7.279 -0.753 1.00 0.00 O ATOM 530 CB LEU A 33 4.192 -6.089 1.031 1.00 0.00 C ATOM 531 CG LEU A 33 2.748 -5.598 0.878 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.765 -6.723 1.163 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.482 -4.412 1.797 1.00 0.00 C ATOM 0 H LEU A 33 4.070 -7.422 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 33 5.188 -4.818 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.175 -7.151 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.647 -5.573 1.876 1.00 0.00 H new ATOM 0 HG LEU A 33 2.608 -5.272 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.746 -6.353 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.935 -7.541 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.909 -7.082 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.452 -4.079 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.644 -4.711 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.160 -3.597 1.544 1.00 0.00 H new ATOM 545 N ILE A 34 7.079 -6.099 1.159 1.00 0.00 N ATOM 546 CA ILE A 34 8.405 -6.604 1.503 1.00 0.00 C ATOM 547 C ILE A 34 8.337 -7.595 2.660 1.00 0.00 C ATOM 548 O ILE A 34 7.310 -7.713 3.330 1.00 0.00 O ATOM 549 CB ILE A 34 9.371 -5.460 1.877 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.660 -4.407 2.731 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.948 -4.825 0.621 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.031 -4.967 3.989 1.00 0.00 C ATOM 0 H ILE A 34 6.687 -5.442 1.834 1.00 0.00 H new ATOM 0 HA ILE A 34 8.784 -7.111 0.616 1.00 0.00 H new ATOM 0 HB ILE A 34 10.189 -5.879 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.375 -3.632 3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.887 -3.927 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.628 -4.020 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.492 -5.577 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.139 -4.422 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.546 -4.163 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.291 -5.721 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.803 -5.421 4.611 1.00 0.00 H new ATOM 564 N TYR A 35 9.437 -8.304 2.890 1.00 0.00 N ATOM 565 CA TYR A 35 9.505 -9.286 3.967 1.00 0.00 C ATOM 566 C TYR A 35 10.914 -9.360 4.546 1.00 0.00 C ATOM 567 O TYR A 35 11.887 -8.991 3.888 1.00 0.00 O ATOM 568 CB TYR A 35 9.078 -10.664 3.457 1.00 0.00 C ATOM 569 CG TYR A 35 7.683 -10.691 2.876 1.00 0.00 C ATOM 570 CD1 TYR A 35 6.581 -10.960 3.677 1.00 0.00 C ATOM 571 CD2 TYR A 35 7.469 -10.446 1.526 1.00 0.00 C ATOM 572 CE1 TYR A 35 5.305 -10.985 3.149 1.00 0.00 C ATOM 573 CE2 TYR A 35 6.196 -10.470 0.990 1.00 0.00 C ATOM 574 CZ TYR A 35 5.117 -10.740 1.805 1.00 0.00 C ATOM 575 OH TYR A 35 3.848 -10.763 1.276 1.00 0.00 O ATOM 0 H TYR A 35 10.295 -8.217 2.345 1.00 0.00 H new ATOM 0 HA TYR A 35 8.822 -8.971 4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.785 -10.995 2.697 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.134 -11.379 4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.724 -11.153 4.730 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.311 -10.233 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.458 -11.195 3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.047 -10.278 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 35 3.890 -10.569 0.316 1.00 0.00 H new ATOM 585 N ASP A 36 11.018 -9.840 5.781 1.00 0.00 N ATOM 586 CA ASP A 36 12.309 -9.962 6.446 1.00 0.00 C ATOM 587 C ASP A 36 13.230 -10.902 5.676 1.00 0.00 C ATOM 588 O ASP A 36 12.768 -11.784 4.951 1.00 0.00 O ATOM 589 CB ASP A 36 12.123 -10.470 7.879 1.00 0.00 C ATOM 590 CG ASP A 36 12.235 -9.358 8.905 1.00 0.00 C ATOM 591 OD1 ASP A 36 13.239 -8.617 8.868 1.00 0.00 O ATOM 592 OD2 ASP A 36 11.318 -9.229 9.743 1.00 0.00 O ATOM 0 H ASP A 36 10.224 -10.151 6.341 1.00 0.00 H new ATOM 0 HA ASP A 36 12.770 -8.975 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.147 -10.947 7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.872 -11.233 8.091 1.00 0.00 H new ATOM 597 N ARG A 37 14.536 -10.707 5.836 1.00 0.00 N ATOM 598 CA ARG A 37 15.521 -11.538 5.154 1.00 0.00 C ATOM 599 C ARG A 37 15.975 -12.688 6.047 1.00 0.00 C ATOM 600 O ARG A 37 17.171 -12.960 6.170 1.00 0.00 O ATOM 601 CB ARG A 37 16.725 -10.693 4.732 1.00 0.00 C ATOM 602 CG ARG A 37 17.361 -11.148 3.429 1.00 0.00 C ATOM 603 CD ARG A 37 17.938 -9.977 2.651 1.00 0.00 C ATOM 604 NE ARG A 37 17.745 -10.128 1.211 1.00 0.00 N ATOM 605 CZ ARG A 37 18.106 -9.213 0.315 1.00 0.00 C ATOM 606 NH1 ARG A 37 18.678 -8.080 0.705 1.00 0.00 N ATOM 607 NH2 ARG A 37 17.895 -9.431 -0.976 1.00 0.00 N ATOM 0 H ARG A 37 14.935 -9.982 6.431 1.00 0.00 H new ATOM 0 HA ARG A 37 15.053 -11.959 4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.411 -9.654 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.475 -10.724 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.150 -11.869 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.617 -11.660 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.467 -9.053 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.003 -9.888 2.867 1.00 0.00 H new ATOM 0 HE ARG A 37 17.308 -10.985 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.843 -7.907 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.952 -7.383 0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.456 -10.300 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.171 -8.730 -1.663 1.00 0.00 H new ATOM 621 N GLU A 38 15.013 -13.360 6.669 1.00 0.00 N ATOM 622 CA GLU A 38 15.312 -14.482 7.553 1.00 0.00 C ATOM 623 C GLU A 38 14.027 -15.125 8.066 1.00 0.00 C ATOM 624 O GLU A 38 13.927 -16.348 8.159 1.00 0.00 O ATOM 625 CB GLU A 38 16.170 -14.017 8.730 1.00 0.00 C ATOM 626 CG GLU A 38 16.615 -15.148 9.643 1.00 0.00 C ATOM 627 CD GLU A 38 16.247 -14.906 11.095 1.00 0.00 C ATOM 628 OE1 GLU A 38 16.590 -13.827 11.621 1.00 0.00 O ATOM 629 OE2 GLU A 38 15.618 -15.797 11.704 1.00 0.00 O ATOM 0 H GLU A 38 14.019 -13.148 6.578 1.00 0.00 H new ATOM 0 HA GLU A 38 15.867 -15.226 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.051 -13.503 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.607 -13.290 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.161 -16.080 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.695 -15.272 9.562 1.00 0.00 H new ATOM 636 N THR A 39 13.047 -14.291 8.397 1.00 0.00 N ATOM 637 CA THR A 39 11.767 -14.776 8.900 1.00 0.00 C ATOM 638 C THR A 39 10.706 -14.768 7.801 1.00 0.00 C ATOM 639 O THR A 39 9.681 -15.442 7.912 1.00 0.00 O ATOM 640 CB THR A 39 11.301 -13.919 10.079 1.00 0.00 C ATOM 641 OG1 THR A 39 11.796 -12.596 9.963 1.00 0.00 O ATOM 642 CG2 THR A 39 11.743 -14.459 11.421 1.00 0.00 C ATOM 0 H THR A 39 13.115 -13.276 8.326 1.00 0.00 H new ATOM 0 HA THR A 39 11.906 -15.803 9.236 1.00 0.00 H new ATOM 0 HB THR A 39 10.212 -13.938 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.920 -12.214 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.380 -13.805 12.214 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.337 -15.461 11.562 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.832 -14.501 11.456 1.00 0.00 H new ATOM 650 N LYS A 40 10.957 -14.003 6.740 1.00 0.00 N ATOM 651 CA LYS A 40 10.021 -13.911 5.625 1.00 0.00 C ATOM 652 C LYS A 40 8.698 -13.300 6.074 1.00 0.00 C ATOM 653 O LYS A 40 7.631 -13.671 5.582 1.00 0.00 O ATOM 654 CB LYS A 40 9.780 -15.295 5.014 1.00 0.00 C ATOM 655 CG LYS A 40 10.711 -15.619 3.859 1.00 0.00 C ATOM 656 CD LYS A 40 12.055 -16.130 4.352 1.00 0.00 C ATOM 657 CE LYS A 40 13.107 -15.032 4.341 1.00 0.00 C ATOM 658 NZ LYS A 40 14.478 -15.578 4.146 1.00 0.00 N ATOM 0 H LYS A 40 11.800 -13.439 6.631 1.00 0.00 H new ATOM 0 HA LYS A 40 10.461 -13.262 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.900 -16.051 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.749 -15.355 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.249 -16.369 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.861 -14.727 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.948 -16.522 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.384 -16.957 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.882 -14.322 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.066 -14.481 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.165 -14.798 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.703 -16.236 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.525 -16.082 3.238 1.00 0.00 H new ATOM 672 N LYS A 41 8.774 -12.360 7.010 1.00 0.00 N ATOM 673 CA LYS A 41 7.582 -11.695 7.526 1.00 0.00 C ATOM 674 C LYS A 41 7.572 -10.218 7.133 1.00 0.00 C ATOM 675 O LYS A 41 8.615 -9.565 7.122 1.00 0.00 O ATOM 676 CB LYS A 41 7.515 -11.830 9.048 1.00 0.00 C ATOM 677 CG LYS A 41 8.789 -11.394 9.754 1.00 0.00 C ATOM 678 CD LYS A 41 8.673 -11.550 11.262 1.00 0.00 C ATOM 679 CE LYS A 41 9.498 -10.506 11.996 1.00 0.00 C ATOM 680 NZ LYS A 41 9.169 -9.123 11.551 1.00 0.00 N ATOM 0 H LYS A 41 9.648 -12.041 7.427 1.00 0.00 H new ATOM 0 HA LYS A 41 6.708 -12.177 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.681 -11.235 9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.305 -12.869 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.629 -11.986 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.003 -10.353 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.628 -11.463 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.005 -12.547 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.323 -10.593 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.558 -10.698 11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.238 -8.473 12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.838 -8.828 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.201 -9.102 11.171 1.00 0.00 H new ATOM 694 N PRO A 42 6.388 -9.669 6.805 1.00 0.00 N ATOM 695 CA PRO A 42 6.255 -8.262 6.411 1.00 0.00 C ATOM 696 C PRO A 42 6.846 -7.313 7.447 1.00 0.00 C ATOM 697 O PRO A 42 6.386 -7.260 8.588 1.00 0.00 O ATOM 698 CB PRO A 42 4.741 -8.059 6.306 1.00 0.00 C ATOM 699 CG PRO A 42 4.190 -9.419 6.055 1.00 0.00 C ATOM 700 CD PRO A 42 5.092 -10.373 6.789 1.00 0.00 C ATOM 0 HA PRO A 42 6.791 -8.048 5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.335 -7.631 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.489 -7.375 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.164 -9.497 6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.172 -9.642 4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.730 -10.573 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.162 -11.334 6.279 1.00 0.00 H new ATOM 708 N LYS A 43 7.867 -6.565 7.043 1.00 0.00 N ATOM 709 CA LYS A 43 8.518 -5.616 7.938 1.00 0.00 C ATOM 710 C LYS A 43 7.528 -4.561 8.420 1.00 0.00 C ATOM 711 O LYS A 43 7.144 -4.544 9.590 1.00 0.00 O ATOM 712 CB LYS A 43 9.695 -4.943 7.230 1.00 0.00 C ATOM 713 CG LYS A 43 10.892 -5.860 7.034 1.00 0.00 C ATOM 714 CD LYS A 43 12.040 -5.138 6.348 1.00 0.00 C ATOM 715 CE LYS A 43 12.902 -6.100 5.547 1.00 0.00 C ATOM 716 NZ LYS A 43 13.974 -6.712 6.381 1.00 0.00 N ATOM 0 H LYS A 43 8.261 -6.598 6.103 1.00 0.00 H new ATOM 0 HA LYS A 43 8.889 -6.164 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.363 -4.579 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.006 -4.072 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.224 -6.238 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.596 -6.724 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.644 -4.367 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.653 -4.634 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.275 -6.887 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.353 -5.571 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.452 -7.459 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.665 -5.982 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.554 -7.123 7.239 1.00 0.00 H new ATOM 730 N GLY A 44 7.116 -3.684 7.511 1.00 0.00 N ATOM 731 CA GLY A 44 6.172 -2.640 7.864 1.00 0.00 C ATOM 732 C GLY A 44 5.896 -1.687 6.717 1.00 0.00 C ATOM 733 O GLY A 44 5.701 -0.491 6.931 1.00 0.00 O ATOM 0 H GLY A 44 7.419 -3.677 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.236 -3.096 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.560 -2.077 8.713 1.00 0.00 H new ATOM 737 N PHE A 45 5.874 -2.216 5.497 1.00 0.00 N ATOM 738 CA PHE A 45 5.615 -1.402 4.314 1.00 0.00 C ATOM 739 C PHE A 45 5.613 -2.256 3.050 1.00 0.00 C ATOM 740 O PHE A 45 5.940 -3.443 3.088 1.00 0.00 O ATOM 741 CB PHE A 45 6.660 -0.288 4.192 1.00 0.00 C ATOM 742 CG PHE A 45 8.070 -0.791 4.066 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.759 -1.246 5.179 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.707 -0.803 2.836 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.058 -1.706 5.067 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.006 -1.262 2.717 1.00 0.00 C ATOM 747 CZ PHE A 45 10.682 -1.713 3.834 1.00 0.00 C ATOM 0 H PHE A 45 6.032 -3.205 5.302 1.00 0.00 H new ATOM 0 HA PHE A 45 4.628 -0.953 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.424 0.325 3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.592 0.359 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.276 -1.241 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.183 -0.450 1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.584 -2.059 5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.491 -1.268 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.697 -2.071 3.744 1.00 0.00 H new ATOM 757 N GLY A 46 5.241 -1.643 1.931 1.00 0.00 N ATOM 758 CA GLY A 46 5.202 -2.359 0.669 1.00 0.00 C ATOM 759 C GLY A 46 5.171 -1.425 -0.525 1.00 0.00 C ATOM 760 O GLY A 46 5.464 -0.236 -0.399 1.00 0.00 O ATOM 0 H GLY A 46 4.966 -0.662 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.074 -3.009 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.322 -3.002 0.646 1.00 0.00 H new ATOM 764 N PHE A 47 4.813 -1.964 -1.687 1.00 0.00 N ATOM 765 CA PHE A 47 4.746 -1.169 -2.908 1.00 0.00 C ATOM 766 C PHE A 47 3.510 -1.525 -3.726 1.00 0.00 C ATOM 767 O PHE A 47 2.881 -2.560 -3.504 1.00 0.00 O ATOM 768 CB PHE A 47 6.009 -1.379 -3.747 1.00 0.00 C ATOM 769 CG PHE A 47 6.985 -0.240 -3.660 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.712 0.972 -4.272 1.00 0.00 C ATOM 771 CD2 PHE A 47 8.175 -0.384 -2.965 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.608 2.021 -4.193 1.00 0.00 C ATOM 773 CE2 PHE A 47 9.075 0.662 -2.883 1.00 0.00 C ATOM 774 CZ PHE A 47 8.791 1.866 -3.498 1.00 0.00 C ATOM 0 H PHE A 47 4.565 -2.946 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 47 4.677 -0.119 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.503 -2.295 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.723 -1.523 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.788 1.099 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.402 -1.323 -2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.383 2.961 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.999 0.538 -2.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.493 2.684 -3.435 1.00 0.00 H new ATOM 784 N VAL A 48 3.169 -0.660 -4.677 1.00 0.00 N ATOM 785 CA VAL A 48 2.010 -0.881 -5.535 1.00 0.00 C ATOM 786 C VAL A 48 2.223 -0.256 -6.910 1.00 0.00 C ATOM 787 O VAL A 48 2.947 0.729 -7.048 1.00 0.00 O ATOM 788 CB VAL A 48 0.728 -0.298 -4.911 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.490 -0.665 -5.746 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.563 -0.780 -3.479 1.00 0.00 C ATOM 0 H VAL A 48 3.680 0.201 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 48 1.893 -1.960 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 48 0.817 0.788 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.385 -0.244 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.375 -0.265 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.584 -1.750 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.348 -0.357 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.498 -1.868 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.420 -0.461 -2.887 1.00 0.00 H new ATOM 800 N GLU A 49 1.587 -0.835 -7.924 1.00 0.00 N ATOM 801 CA GLU A 49 1.709 -0.334 -9.288 1.00 0.00 C ATOM 802 C GLU A 49 0.381 0.231 -9.781 1.00 0.00 C ATOM 803 O GLU A 49 -0.577 -0.511 -10.003 1.00 0.00 O ATOM 804 CB GLU A 49 2.182 -1.450 -10.222 1.00 0.00 C ATOM 805 CG GLU A 49 3.179 -0.983 -11.271 1.00 0.00 C ATOM 806 CD GLU A 49 4.593 -1.449 -10.980 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.753 -2.579 -10.473 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.539 -0.683 -11.260 1.00 0.00 O ATOM 0 H GLU A 49 0.983 -1.651 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 49 2.446 0.469 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.637 -2.242 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.317 -1.885 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.872 -1.354 -12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.163 0.106 -11.323 1.00 0.00 H new ATOM 815 N MET A 50 0.330 1.548 -9.951 1.00 0.00 N ATOM 816 CA MET A 50 -0.881 2.213 -10.418 1.00 0.00 C ATOM 817 C MET A 50 -0.539 3.435 -11.264 1.00 0.00 C ATOM 818 O MET A 50 0.631 3.712 -11.527 1.00 0.00 O ATOM 819 CB MET A 50 -1.752 2.627 -9.230 1.00 0.00 C ATOM 820 CG MET A 50 -2.200 1.459 -8.368 1.00 0.00 C ATOM 821 SD MET A 50 -3.063 1.988 -6.875 1.00 0.00 S ATOM 822 CE MET A 50 -4.723 1.414 -7.223 1.00 0.00 C ATOM 0 H MET A 50 1.114 2.176 -9.772 1.00 0.00 H new ATOM 0 HA MET A 50 -1.436 1.509 -11.038 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.197 3.332 -8.612 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.632 3.152 -9.601 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.855 0.812 -8.952 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.330 0.864 -8.089 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.443 2.167 -6.903 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.831 1.240 -8.294 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.907 0.484 -6.684 1.00 0.00 H new ATOM 832 N GLN A 51 -1.568 4.162 -11.688 1.00 0.00 N ATOM 833 CA GLN A 51 -1.377 5.354 -12.504 1.00 0.00 C ATOM 834 C GLN A 51 -1.137 6.581 -11.628 1.00 0.00 C ATOM 835 O GLN A 51 -1.654 6.671 -10.515 1.00 0.00 O ATOM 836 CB GLN A 51 -2.592 5.584 -13.406 1.00 0.00 C ATOM 837 CG GLN A 51 -2.228 5.956 -14.834 1.00 0.00 C ATOM 838 CD GLN A 51 -3.384 6.588 -15.584 1.00 0.00 C ATOM 839 OE1 GLN A 51 -4.351 7.053 -14.981 1.00 0.00 O ATOM 840 NE2 GLN A 51 -3.288 6.608 -16.909 1.00 0.00 N ATOM 0 H GLN A 51 -2.543 3.946 -11.479 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.497 5.198 -13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.201 4.680 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.207 6.376 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.386 6.648 -14.822 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.899 5.063 -15.366 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.468 6.211 -17.367 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.035 7.021 -17.468 1.00 0.00 H new ATOM 849 N GLU A 52 -0.349 7.521 -12.139 1.00 0.00 N ATOM 850 CA GLU A 52 -0.039 8.742 -11.404 1.00 0.00 C ATOM 851 C GLU A 52 -1.312 9.500 -11.038 1.00 0.00 C ATOM 852 O GLU A 52 -1.395 10.117 -9.976 1.00 0.00 O ATOM 853 CB GLU A 52 0.881 9.641 -12.233 1.00 0.00 C ATOM 854 CG GLU A 52 0.278 10.068 -13.561 1.00 0.00 C ATOM 855 CD GLU A 52 1.331 10.425 -14.591 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.786 11.589 -14.596 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.702 9.543 -15.394 1.00 0.00 O ATOM 0 H GLU A 52 0.087 7.461 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 52 0.470 8.460 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.126 10.530 -11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.817 9.115 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.346 9.262 -13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.374 10.927 -13.401 1.00 0.00 H new ATOM 864 N GLU A 53 -2.302 9.450 -11.924 1.00 0.00 N ATOM 865 CA GLU A 53 -3.570 10.132 -11.693 1.00 0.00 C ATOM 866 C GLU A 53 -4.236 9.626 -10.417 1.00 0.00 C ATOM 867 O GLU A 53 -4.738 10.412 -9.613 1.00 0.00 O ATOM 868 CB GLU A 53 -4.505 9.932 -12.890 1.00 0.00 C ATOM 869 CG GLU A 53 -4.732 11.196 -13.701 1.00 0.00 C ATOM 870 CD GLU A 53 -3.481 11.663 -14.417 1.00 0.00 C ATOM 871 OE1 GLU A 53 -2.761 10.807 -14.973 1.00 0.00 O ATOM 872 OE2 GLU A 53 -3.219 12.884 -14.422 1.00 0.00 O ATOM 0 H GLU A 53 -2.250 8.944 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.367 11.196 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.089 9.162 -13.541 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.466 9.562 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.519 11.017 -14.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.085 11.988 -13.041 1.00 0.00 H new ATOM 879 N SER A 54 -4.239 8.308 -10.238 1.00 0.00 N ATOM 880 CA SER A 54 -4.844 7.699 -9.060 1.00 0.00 C ATOM 881 C SER A 54 -3.936 7.848 -7.843 1.00 0.00 C ATOM 882 O SER A 54 -4.410 7.963 -6.713 1.00 0.00 O ATOM 883 CB SER A 54 -5.131 6.219 -9.317 1.00 0.00 C ATOM 884 OG SER A 54 -6.173 6.057 -10.265 1.00 0.00 O ATOM 0 H SER A 54 -3.829 7.643 -10.894 1.00 0.00 H new ATOM 0 HA SER A 54 -5.782 8.215 -8.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.227 5.728 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.407 5.731 -8.382 1.00 0.00 H new ATOM 0 HG SER A 54 -6.335 5.102 -10.413 1.00 0.00 H new ATOM 890 N VAL A 55 -2.628 7.844 -8.082 1.00 0.00 N ATOM 891 CA VAL A 55 -1.654 7.978 -7.006 1.00 0.00 C ATOM 892 C VAL A 55 -1.684 9.382 -6.406 1.00 0.00 C ATOM 893 O VAL A 55 -1.503 9.556 -5.202 1.00 0.00 O ATOM 894 CB VAL A 55 -0.227 7.672 -7.501 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.760 7.693 -6.342 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.187 6.330 -8.220 1.00 0.00 C ATOM 0 H VAL A 55 -2.219 7.749 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.928 7.254 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 55 0.065 8.448 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.761 7.475 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.753 8.678 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.474 6.941 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.828 6.131 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.501 5.541 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.860 6.356 -9.077 1.00 0.00 H new ATOM 906 N SER A 56 -1.909 10.378 -7.256 1.00 0.00 N ATOM 907 CA SER A 56 -1.959 11.767 -6.811 1.00 0.00 C ATOM 908 C SER A 56 -3.063 11.976 -5.779 1.00 0.00 C ATOM 909 O SER A 56 -2.864 12.657 -4.774 1.00 0.00 O ATOM 910 CB SER A 56 -2.178 12.697 -8.005 1.00 0.00 C ATOM 911 OG SER A 56 -1.070 12.662 -8.889 1.00 0.00 O ATOM 0 H SER A 56 -2.060 10.250 -8.257 1.00 0.00 H new ATOM 0 HA SER A 56 -1.004 12.004 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.082 12.403 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.334 13.716 -7.652 1.00 0.00 H new ATOM 0 HG SER A 56 -1.042 11.794 -9.344 1.00 0.00 H new ATOM 917 N GLU A 57 -4.229 11.394 -6.038 1.00 0.00 N ATOM 918 CA GLU A 57 -5.366 11.525 -5.132 1.00 0.00 C ATOM 919 C GLU A 57 -5.373 10.412 -4.087 1.00 0.00 C ATOM 920 O GLU A 57 -5.887 10.590 -2.983 1.00 0.00 O ATOM 921 CB GLU A 57 -6.676 11.506 -5.921 1.00 0.00 C ATOM 922 CG GLU A 57 -7.887 11.925 -5.102 1.00 0.00 C ATOM 923 CD GLU A 57 -8.408 13.296 -5.490 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.061 13.404 -6.549 1.00 0.00 O ATOM 925 OE2 GLU A 57 -8.162 14.259 -4.735 1.00 0.00 O ATOM 0 H GLU A 57 -4.412 10.828 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.272 12.479 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.582 12.170 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.841 10.501 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.681 11.189 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.623 11.927 -4.044 1.00 0.00 H new ATOM 932 N ALA A 58 -4.804 9.265 -4.442 1.00 0.00 N ATOM 933 CA ALA A 58 -4.751 8.124 -3.534 1.00 0.00 C ATOM 934 C ALA A 58 -4.061 8.488 -2.222 1.00 0.00 C ATOM 935 O ALA A 58 -4.506 8.091 -1.151 1.00 0.00 O ATOM 936 CB ALA A 58 -4.040 6.955 -4.196 1.00 0.00 C ATOM 0 H ALA A 58 -4.373 9.100 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.776 7.832 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.008 6.111 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.578 6.666 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.023 7.248 -4.458 1.00 0.00 H new ATOM 942 N ILE A 59 -2.974 9.242 -2.317 1.00 0.00 N ATOM 943 CA ILE A 59 -2.217 9.661 -1.140 1.00 0.00 C ATOM 944 C ILE A 59 -2.735 10.993 -0.603 1.00 0.00 C ATOM 945 O ILE A 59 -2.615 11.288 0.587 1.00 0.00 O ATOM 946 CB ILE A 59 -0.713 9.790 -1.476 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.175 8.465 -2.020 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.090 10.228 -0.258 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.335 8.557 -3.442 1.00 0.00 C ATOM 0 H ILE A 59 -2.593 9.579 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.348 8.897 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.604 10.557 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.632 8.118 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.965 7.715 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.143 10.309 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.272 11.196 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.026 9.492 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.701 7.581 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.475 8.874 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.147 9.283 -3.491 1.00 0.00 H new ATOM 961 N ALA A 60 -3.304 11.795 -1.492 1.00 0.00 N ATOM 962 CA ALA A 60 -3.835 13.104 -1.131 1.00 0.00 C ATOM 963 C ALA A 60 -4.806 13.041 0.046 1.00 0.00 C ATOM 964 O ALA A 60 -4.604 13.707 1.062 1.00 0.00 O ATOM 965 CB ALA A 60 -4.521 13.730 -2.334 1.00 0.00 C ATOM 0 H ALA A 60 -3.411 11.559 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.991 13.719 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.916 14.708 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.801 13.844 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.338 13.088 -2.662 1.00 0.00 H new ATOM 971 N LYS A 61 -5.872 12.264 -0.106 1.00 0.00 N ATOM 972 CA LYS A 61 -6.888 12.149 0.938 1.00 0.00 C ATOM 973 C LYS A 61 -6.591 11.017 1.918 1.00 0.00 C ATOM 974 O LYS A 61 -7.219 10.929 2.973 1.00 0.00 O ATOM 975 CB LYS A 61 -8.265 11.933 0.306 1.00 0.00 C ATOM 976 CG LYS A 61 -8.661 13.023 -0.675 1.00 0.00 C ATOM 977 CD LYS A 61 -8.851 14.360 0.024 1.00 0.00 C ATOM 978 CE LYS A 61 -9.932 15.190 -0.649 1.00 0.00 C ATOM 979 NZ LYS A 61 -11.235 15.093 0.065 1.00 0.00 N ATOM 0 H LYS A 61 -6.057 11.705 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.876 13.082 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.273 10.972 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.014 11.877 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.894 13.119 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.585 12.741 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.116 14.192 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.911 14.912 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.617 16.233 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.057 14.856 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.944 15.674 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.549 14.102 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.123 15.436 1.040 1.00 0.00 H new ATOM 993 N LEU A 62 -5.654 10.145 1.572 1.00 0.00 N ATOM 994 CA LEU A 62 -5.318 9.022 2.440 1.00 0.00 C ATOM 995 C LEU A 62 -4.210 9.380 3.425 1.00 0.00 C ATOM 996 O LEU A 62 -4.464 9.577 4.613 1.00 0.00 O ATOM 997 CB LEU A 62 -4.903 7.817 1.603 1.00 0.00 C ATOM 998 CG LEU A 62 -6.038 7.159 0.811 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.544 5.901 0.116 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.211 6.840 1.726 1.00 0.00 C ATOM 0 H LEU A 62 -5.117 10.191 0.706 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.208 8.774 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.126 8.128 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.459 7.071 2.262 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.378 7.860 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.364 5.447 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.737 6.157 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.177 5.194 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.008 6.373 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.885 6.157 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.582 7.761 2.177 1.00 0.00 H new ATOM 1012 N ASP A 63 -2.978 9.448 2.928 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.830 9.767 3.771 1.00 0.00 C ATOM 1014 C ASP A 63 -2.086 11.012 4.619 1.00 0.00 C ATOM 1015 O ASP A 63 -2.502 12.051 4.106 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.572 9.938 2.905 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.144 11.387 2.740 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -0.930 12.179 2.180 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.979 11.727 3.170 1.00 0.00 O ATOM 0 H ASP A 63 -2.749 9.287 1.947 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.671 8.937 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.247 9.374 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.756 9.507 1.921 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.830 10.896 5.917 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.028 12.006 6.840 1.00 0.00 C ATOM 1026 C ASN A 64 -1.589 11.626 8.251 1.00 0.00 C ATOM 1027 O ASN A 64 -0.926 12.405 8.937 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.497 12.436 6.849 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.697 13.798 7.482 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.058 13.903 8.654 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -3.465 14.851 6.706 1.00 0.00 N ATOM 0 H ASN A 64 -1.484 10.042 6.354 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.415 12.841 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.873 12.455 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.086 11.696 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.585 15.794 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.167 14.717 5.740 1.00 0.00 H new ATOM 1038 N THR A 65 -1.964 10.425 8.678 1.00 0.00 N ATOM 1039 CA THR A 65 -1.610 9.941 10.007 1.00 0.00 C ATOM 1040 C THR A 65 -1.481 8.420 10.015 1.00 0.00 C ATOM 1041 O THR A 65 -1.578 7.775 8.972 1.00 0.00 O ATOM 1042 CB THR A 65 -2.659 10.383 11.029 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.918 10.567 10.407 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.302 11.673 11.736 1.00 0.00 C ATOM 0 H THR A 65 -2.513 9.769 8.123 1.00 0.00 H new ATOM 0 HA THR A 65 -0.646 10.370 10.279 1.00 0.00 H new ATOM 0 HB THR A 65 -2.697 9.583 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.576 10.848 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.088 11.928 12.446 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.359 11.547 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.201 12.474 11.003 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.259 7.855 11.198 1.00 0.00 N ATOM 1053 CA ASP A 66 -1.116 6.412 11.341 1.00 0.00 C ATOM 1054 C ASP A 66 -2.350 5.804 12.000 1.00 0.00 C ATOM 1055 O ASP A 66 -2.501 5.853 13.221 1.00 0.00 O ATOM 1056 CB ASP A 66 0.131 6.082 12.163 1.00 0.00 C ATOM 1057 CG ASP A 66 0.248 6.938 13.409 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -0.768 7.544 13.811 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.356 7.003 13.983 1.00 0.00 O ATOM 0 H ASP A 66 -1.174 8.376 12.071 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.011 5.982 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.106 5.031 12.449 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.018 6.223 11.545 1.00 0.00 H new ATOM 1064 N PHE A 67 -3.231 5.232 11.185 1.00 0.00 N ATOM 1065 CA PHE A 67 -4.452 4.614 11.690 1.00 0.00 C ATOM 1066 C PHE A 67 -4.487 3.125 11.356 1.00 0.00 C ATOM 1067 O PHE A 67 -3.488 2.552 10.923 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.681 5.312 11.104 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.750 5.597 12.119 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.529 6.507 13.140 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -7.977 4.955 12.053 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.510 6.772 14.076 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -8.962 5.216 12.986 1.00 0.00 C ATOM 1074 CZ PHE A 67 -8.728 6.125 13.999 1.00 0.00 C ATOM 0 H PHE A 67 -3.122 5.184 10.172 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.464 4.723 12.774 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.371 6.249 10.642 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.099 4.690 10.313 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.578 7.015 13.205 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.165 4.243 11.263 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.325 7.484 14.867 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.914 4.710 12.923 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.496 6.330 14.730 1.00 0.00 H new ATOM 1084 N MET A 68 -5.645 2.505 11.562 1.00 0.00 N ATOM 1085 CA MET A 68 -5.811 1.084 11.283 1.00 0.00 C ATOM 1086 C MET A 68 -6.308 0.862 9.857 1.00 0.00 C ATOM 1087 O MET A 68 -7.301 0.168 9.635 1.00 0.00 O ATOM 1088 CB MET A 68 -6.787 0.458 12.282 1.00 0.00 C ATOM 1089 CG MET A 68 -6.398 0.681 13.735 1.00 0.00 C ATOM 1090 SD MET A 68 -7.236 2.098 14.467 1.00 0.00 S ATOM 1091 CE MET A 68 -5.947 2.740 15.533 1.00 0.00 C ATOM 0 H MET A 68 -6.482 2.965 11.921 1.00 0.00 H new ATOM 0 HA MET A 68 -4.838 0.603 11.386 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.781 0.871 12.113 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.851 -0.613 12.092 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.634 -0.213 14.312 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.320 0.828 13.800 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.314 3.622 16.057 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.663 1.979 16.259 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.079 3.010 14.932 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.609 1.454 8.895 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.994 1.309 7.503 1.00 0.00 C ATOM 1103 C GLY A 69 -6.969 2.380 7.054 1.00 0.00 C ATOM 1104 O GLY A 69 -7.769 2.158 6.146 1.00 0.00 O ATOM 0 H GLY A 69 -4.783 2.031 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.103 1.349 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.444 0.327 7.355 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.901 3.545 7.690 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.783 4.655 7.349 1.00 0.00 C ATOM 1110 C ARG A 70 -7.016 5.755 6.623 1.00 0.00 C ATOM 1111 O ARG A 70 -7.572 6.461 5.781 1.00 0.00 O ATOM 1112 CB ARG A 70 -8.438 5.221 8.610 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.533 6.235 8.324 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.583 6.248 9.423 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.228 7.158 10.509 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.100 7.623 11.401 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -12.377 7.269 11.339 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -10.692 8.446 12.358 1.00 0.00 N ATOM 0 H ARG A 70 -6.244 3.745 8.444 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.560 4.278 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.858 4.400 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.672 5.690 9.228 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.094 7.228 8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.006 6.001 7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.544 6.543 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.705 5.240 9.820 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.255 7.454 10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.696 6.637 10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.040 7.629 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.711 8.722 12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.359 8.803 13.042 1.00 0.00 H new ATOM 1132 N THR A 71 -5.737 5.895 6.955 1.00 0.00 N ATOM 1133 CA THR A 71 -4.893 6.910 6.334 1.00 0.00 C ATOM 1134 C THR A 71 -3.494 6.363 6.060 1.00 0.00 C ATOM 1135 O THR A 71 -3.043 6.337 4.916 1.00 0.00 O ATOM 1136 CB THR A 71 -4.808 8.157 7.223 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.679 8.941 6.884 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.719 7.843 8.703 1.00 0.00 C ATOM 0 H THR A 71 -5.262 5.319 7.650 1.00 0.00 H new ATOM 0 HA THR A 71 -5.346 7.188 5.382 1.00 0.00 H new ATOM 0 HB THR A 71 -5.737 8.698 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.645 9.063 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.662 8.773 9.269 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.603 7.285 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.828 7.246 8.895 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.813 5.927 7.116 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.466 5.382 6.983 1.00 0.00 C ATOM 1148 C ILE A 72 -0.518 6.410 6.378 1.00 0.00 C ATOM 1149 O ILE A 72 -0.953 7.383 5.764 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.457 4.114 6.106 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.614 3.189 6.490 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.128 3.388 6.238 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.835 2.058 5.509 1.00 0.00 C ATOM 0 H ILE A 72 -3.171 5.940 8.071 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.128 5.123 7.986 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.586 4.412 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.421 2.770 7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.529 3.777 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.138 2.495 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.680 4.046 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.028 3.101 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.670 1.443 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.059 2.469 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.935 1.446 5.450 1.00 0.00 H new ATOM 1165 N ARG A 73 0.782 6.191 6.554 1.00 0.00 N ATOM 1166 CA ARG A 73 1.788 7.102 6.021 1.00 0.00 C ATOM 1167 C ARG A 73 2.139 6.739 4.580 1.00 0.00 C ATOM 1168 O ARG A 73 3.302 6.496 4.255 1.00 0.00 O ATOM 1169 CB ARG A 73 3.047 7.071 6.891 1.00 0.00 C ATOM 1170 CG ARG A 73 2.876 7.758 8.236 1.00 0.00 C ATOM 1171 CD ARG A 73 4.184 7.806 9.009 1.00 0.00 C ATOM 1172 NE ARG A 73 4.569 9.175 9.350 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.805 9.536 9.690 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.778 8.633 9.737 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.069 10.802 9.983 1.00 0.00 N ATOM 0 H ARG A 73 1.162 5.392 7.061 1.00 0.00 H new ATOM 0 HA ARG A 73 1.374 8.110 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.338 6.034 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.864 7.549 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.505 8.772 8.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.125 7.229 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.087 7.219 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.973 7.345 8.415 1.00 0.00 H new ATOM 0 HE ARG A 73 3.848 9.896 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.580 7.658 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.723 8.915 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.325 11.499 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.016 11.078 10.243 1.00 0.00 H new ATOM 1189 N VAL A 74 1.125 6.699 3.722 1.00 0.00 N ATOM 1190 CA VAL A 74 1.325 6.361 2.317 1.00 0.00 C ATOM 1191 C VAL A 74 1.915 7.536 1.543 1.00 0.00 C ATOM 1192 O VAL A 74 1.813 8.688 1.968 1.00 0.00 O ATOM 1193 CB VAL A 74 0.003 5.926 1.652 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.005 7.065 1.653 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.255 5.427 0.237 1.00 0.00 C ATOM 0 H VAL A 74 0.157 6.896 3.975 1.00 0.00 H new ATOM 0 HA VAL A 74 2.028 5.528 2.288 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.417 5.105 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.929 6.734 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.212 7.367 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.597 7.912 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.689 5.125 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.703 6.225 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.932 4.574 0.267 1.00 0.00 H new ATOM 1205 N THR A 75 2.533 7.238 0.404 1.00 0.00 N ATOM 1206 CA THR A 75 3.139 8.269 -0.430 1.00 0.00 C ATOM 1207 C THR A 75 3.508 7.712 -1.801 1.00 0.00 C ATOM 1208 O THR A 75 3.534 6.497 -2.002 1.00 0.00 O ATOM 1209 CB THR A 75 4.382 8.841 0.252 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.959 9.867 -0.536 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.454 7.803 0.510 1.00 0.00 C ATOM 0 H THR A 75 2.627 6.291 0.038 1.00 0.00 H new ATOM 0 HA THR A 75 2.409 9.067 -0.566 1.00 0.00 H new ATOM 0 HB THR A 75 4.034 9.227 1.210 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.752 10.221 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.308 8.275 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.055 7.021 1.156 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.771 7.365 -0.436 1.00 0.00 H new ATOM 1219 N GLU A 76 3.793 8.607 -2.741 1.00 0.00 N ATOM 1220 CA GLU A 76 4.162 8.205 -4.093 1.00 0.00 C ATOM 1221 C GLU A 76 5.678 8.183 -4.260 1.00 0.00 C ATOM 1222 O GLU A 76 6.327 9.229 -4.261 1.00 0.00 O ATOM 1223 CB GLU A 76 3.539 9.154 -5.118 1.00 0.00 C ATOM 1224 CG GLU A 76 4.060 10.579 -5.025 1.00 0.00 C ATOM 1225 CD GLU A 76 3.063 11.598 -5.540 1.00 0.00 C ATOM 1226 OE1 GLU A 76 2.670 11.501 -6.721 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.675 12.496 -4.762 1.00 0.00 O ATOM 0 H GLU A 76 3.775 9.616 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 76 3.781 7.198 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.732 8.770 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.457 9.162 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.303 10.806 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.986 10.662 -5.595 1.00 0.00 H new ATOM 1234 N ALA A 77 6.236 6.985 -4.399 1.00 0.00 N ATOM 1235 CA ALA A 77 7.676 6.830 -4.567 1.00 0.00 C ATOM 1236 C ALA A 77 8.144 7.432 -5.886 1.00 0.00 C ATOM 1237 O ALA A 77 8.516 8.624 -5.894 1.00 0.00 O ATOM 1238 CB ALA A 77 8.060 5.360 -4.490 1.00 0.00 C ATOM 0 H ALA A 77 5.714 6.109 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 77 8.171 7.367 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.138 5.258 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.770 4.958 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.548 4.808 -5.279 1.00 0.00 H new TER 1244 ALA A 77