USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 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 56 SER OG : rot -59:sc= 1.2 USER MOD Set 1.2: A 101 MET CE :methyl 159:sc= 0 (180deg=-0.578) USER MOD Single : A 5 TYR OH : rot -10:sc= 0.184 USER MOD Single : A 6 TYR OH : rot -52:sc= 0.369 USER MOD Single : A 7 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.13) USER MOD Single : A 8 THR OG1 : rot -14:sc= 0.902 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0792 K(o=-0.079,f=-2.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.215 K(o=0.21,f=-7.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.808 K(o=0.81,f=-0.89) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.971 (180deg=0.971) USER MOD Single : A 52 TYR OH : rot 168:sc= 0.169 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -29:sc= 0.00505 USER MOD Single : A 92 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 7.018 2.705 -4.237 1.00 0.00 N ATOM 50 CA ASP A 4 7.644 3.947 -4.674 1.00 0.00 C ATOM 51 C ASP A 4 8.056 3.871 -6.138 1.00 0.00 C ATOM 52 O ASP A 4 9.099 3.311 -6.470 1.00 0.00 O ATOM 53 CB ASP A 4 8.867 4.265 -3.809 1.00 0.00 C ATOM 54 CG ASP A 4 9.505 5.604 -4.155 1.00 0.00 C ATOM 55 OD1 ASP A 4 9.478 5.973 -5.304 1.00 0.00 O ATOM 56 OD2 ASP A 4 10.012 6.244 -3.265 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.909 4.744 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.572 4.269 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.607 3.474 -3.930 1.00 0.00 H new ATOM 61 N TYR A 5 7.229 4.439 -7.009 1.00 0.00 N ATOM 62 CA TYR A 5 7.443 4.333 -8.448 1.00 0.00 C ATOM 63 C TYR A 5 8.851 4.774 -8.829 1.00 0.00 C ATOM 64 O TYR A 5 9.498 4.154 -9.673 1.00 0.00 O ATOM 65 CB TYR A 5 6.405 5.164 -9.206 1.00 0.00 C ATOM 66 CG TYR A 5 4.986 4.662 -9.046 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.723 3.584 -8.215 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.951 5.279 -9.731 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.428 3.125 -8.068 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.657 4.820 -9.585 1.00 0.00 C ATOM 71 CZ TYR A 5 2.394 3.747 -8.758 1.00 0.00 C ATOM 72 OH TYR A 5 1.104 3.290 -8.612 1.00 0.00 O ATOM 0 H TYR A 5 6.404 4.978 -6.744 1.00 0.00 H new ATOM 0 HA TYR A 5 7.328 3.286 -8.727 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.457 6.196 -8.860 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.661 5.170 -10.265 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.530 3.103 -7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.157 6.118 -10.379 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.220 2.287 -7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.850 5.301 -10.118 1.00 0.00 H new ATOM 0 HH TYR A 5 1.112 2.438 -8.128 1.00 0.00 H new ATOM 82 N TYR A 6 9.320 5.848 -8.202 1.00 0.00 N ATOM 83 CA TYR A 6 10.620 6.419 -8.530 1.00 0.00 C ATOM 84 C TYR A 6 11.754 5.525 -8.044 1.00 0.00 C ATOM 85 O TYR A 6 12.844 5.521 -8.617 1.00 0.00 O ATOM 86 CB TYR A 6 10.756 7.821 -7.931 1.00 0.00 C ATOM 87 CG TYR A 6 9.597 8.738 -8.256 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.700 9.101 -7.262 1.00 0.00 C ATOM 89 CD2 TYR A 6 9.432 9.216 -9.548 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.642 9.939 -7.559 1.00 0.00 C ATOM 91 CE2 TYR A 6 8.374 10.053 -9.844 1.00 0.00 C ATOM 92 CZ TYR A 6 7.482 10.415 -8.855 1.00 0.00 C ATOM 93 OH TYR A 6 6.428 11.249 -9.151 1.00 0.00 O ATOM 0 H TYR A 6 8.818 6.340 -7.463 1.00 0.00 H new ATOM 0 HA TYR A 6 10.688 6.492 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.848 7.736 -6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.679 8.274 -8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.828 8.729 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.131 8.934 -10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.942 10.223 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.245 10.424 -10.850 1.00 0.00 H new ATOM 0 HH TYR A 6 5.592 10.844 -8.837 1.00 0.00 H new ATOM 103 N GLN A 7 11.491 4.769 -6.983 1.00 0.00 N ATOM 104 CA GLN A 7 12.429 3.756 -6.514 1.00 0.00 C ATOM 105 C GLN A 7 12.509 2.587 -7.486 1.00 0.00 C ATOM 106 O GLN A 7 13.527 1.897 -7.558 1.00 0.00 O ATOM 107 CB GLN A 7 12.025 3.255 -5.124 1.00 0.00 C ATOM 108 CG GLN A 7 13.016 2.291 -4.497 1.00 0.00 C ATOM 109 CD GLN A 7 14.368 2.932 -4.250 1.00 0.00 C ATOM 110 OE1 GLN A 7 14.461 4.020 -3.674 1.00 0.00 O ATOM 111 NE2 GLN A 7 15.429 2.261 -4.684 1.00 0.00 N ATOM 0 H GLN A 7 10.636 4.839 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 7 13.415 4.218 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.902 4.113 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.054 2.765 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.613 1.923 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.140 1.427 -5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.308 1.365 -5.155 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.365 2.642 -4.546 1.00 0.00 H new ATOM 120 N THR A 8 11.432 2.368 -8.232 1.00 0.00 N ATOM 121 CA THR A 8 11.366 1.261 -9.177 1.00 0.00 C ATOM 122 C THR A 8 11.884 1.674 -10.548 1.00 0.00 C ATOM 123 O THR A 8 12.352 0.840 -11.323 1.00 0.00 O ATOM 124 CB THR A 8 9.927 0.727 -9.307 1.00 0.00 C ATOM 125 OG1 THR A 8 9.076 1.761 -9.820 1.00 0.00 O ATOM 126 CG2 THR A 8 9.404 0.270 -7.954 1.00 0.00 C ATOM 0 H THR A 8 10.591 2.944 -8.200 1.00 0.00 H new ATOM 0 HA THR A 8 12.003 0.467 -8.787 1.00 0.00 H new ATOM 0 HB THR A 8 9.930 -0.123 -9.990 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.537 2.624 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.386 -0.104 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.042 -0.524 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.408 1.110 -7.260 1.00 0.00 H new ATOM 134 N LEU A 9 11.798 2.967 -10.842 1.00 0.00 N ATOM 135 CA LEU A 9 12.441 3.528 -12.023 1.00 0.00 C ATOM 136 C LEU A 9 13.934 3.727 -11.796 1.00 0.00 C ATOM 137 O LEU A 9 14.739 3.563 -12.714 1.00 0.00 O ATOM 138 CB LEU A 9 11.791 4.867 -12.395 1.00 0.00 C ATOM 139 CG LEU A 9 10.381 4.779 -12.993 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.805 6.180 -13.144 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.443 4.067 -14.337 1.00 0.00 C ATOM 0 H LEU A 9 11.288 3.646 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 9 12.309 2.821 -12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.748 5.490 -11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.437 5.378 -13.109 1.00 0.00 H new ATOM 0 HG LEU A 9 9.730 4.208 -12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.803 6.118 -13.569 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.755 6.660 -12.167 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.443 6.767 -13.805 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.441 4.004 -14.762 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.090 4.624 -15.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.842 3.062 -14.198 1.00 0.00 H new ATOM 153 N GLY A 10 14.298 4.082 -10.569 1.00 0.00 N ATOM 154 CA GLY A 10 15.700 4.250 -10.205 1.00 0.00 C ATOM 155 C GLY A 10 16.160 5.685 -10.433 1.00 0.00 C ATOM 156 O GLY A 10 17.217 5.922 -11.016 1.00 0.00 O ATOM 0 H GLY A 10 13.641 4.259 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.841 3.982 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.315 3.570 -10.794 1.00 0.00 H new ATOM 160 N LEU A 11 15.358 6.638 -9.969 1.00 0.00 N ATOM 161 CA LEU A 11 15.727 8.047 -10.033 1.00 0.00 C ATOM 162 C LEU A 11 15.134 8.825 -8.865 1.00 0.00 C ATOM 163 O LEU A 11 14.382 8.276 -8.059 1.00 0.00 O ATOM 164 CB LEU A 11 15.255 8.660 -11.357 1.00 0.00 C ATOM 165 CG LEU A 11 13.769 9.036 -11.422 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.443 9.580 -12.807 1.00 0.00 C ATOM 167 CD2 LEU A 11 12.921 7.814 -11.100 1.00 0.00 C ATOM 0 H LEU A 11 14.448 6.460 -9.544 1.00 0.00 H new ATOM 0 HA LEU A 11 16.813 8.111 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.846 9.554 -11.554 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.468 7.954 -12.160 1.00 0.00 H new ATOM 0 HG LEU A 11 13.548 9.810 -10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.387 9.847 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.050 10.464 -13.003 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.658 8.819 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.865 8.081 -11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.128 7.026 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.162 7.458 -10.098 1.00 0.00 H new ATOM 179 N ALA A 12 15.478 10.105 -8.777 1.00 0.00 N ATOM 180 CA ALA A 12 14.997 10.956 -7.696 1.00 0.00 C ATOM 181 C ALA A 12 13.542 11.354 -7.913 1.00 0.00 C ATOM 182 O ALA A 12 13.114 11.584 -9.044 1.00 0.00 O ATOM 183 CB ALA A 12 15.870 12.194 -7.567 1.00 0.00 C ATOM 0 H ALA A 12 16.090 10.577 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 12 15.056 10.386 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.497 12.819 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.896 11.895 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.843 12.757 -8.500 1.00 0.00 H new ATOM 189 N ARG A 13 12.787 11.432 -6.823 1.00 0.00 N ATOM 190 CA ARG A 13 11.380 11.811 -6.891 1.00 0.00 C ATOM 191 C ARG A 13 11.204 13.160 -7.576 1.00 0.00 C ATOM 192 O ARG A 13 10.145 13.452 -8.130 1.00 0.00 O ATOM 193 CB ARG A 13 10.773 11.870 -5.497 1.00 0.00 C ATOM 194 CG ARG A 13 10.728 10.539 -4.762 1.00 0.00 C ATOM 195 CD ARG A 13 10.132 10.680 -3.410 1.00 0.00 C ATOM 196 NE ARG A 13 10.008 9.397 -2.736 1.00 0.00 N ATOM 197 CZ ARG A 13 9.683 9.242 -1.437 1.00 0.00 C ATOM 198 NH1 ARG A 13 9.452 10.297 -0.688 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 9.596 8.031 -0.917 1.00 0.00 N ATOM 0 H ARG A 13 13.126 11.238 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 13 10.865 11.051 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.343 12.580 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.758 12.260 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.148 9.822 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.737 10.137 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.749 11.348 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.149 11.143 -3.493 1.00 0.00 H new ATOM 0 HE ARG A 13 10.179 8.555 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.519 11.232 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.206 10.181 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.775 7.212 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.350 7.915 0.066 1.00 0.00 H new ATOM 213 N GLY A 14 12.250 13.979 -7.534 1.00 0.00 N ATOM 214 CA GLY A 14 12.179 15.338 -8.056 1.00 0.00 C ATOM 215 C GLY A 14 12.926 15.461 -9.378 1.00 0.00 C ATOM 216 O GLY A 14 13.338 16.553 -9.770 1.00 0.00 O ATOM 0 H GLY A 14 13.157 13.724 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.136 15.622 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.603 16.032 -7.330 1.00 0.00 H new ATOM 220 N ALA A 15 13.096 14.335 -10.062 1.00 0.00 N ATOM 221 CA ALA A 15 13.777 14.317 -11.351 1.00 0.00 C ATOM 222 C ALA A 15 12.967 15.053 -12.411 1.00 0.00 C ATOM 223 O ALA A 15 11.842 15.481 -12.159 1.00 0.00 O ATOM 224 CB ALA A 15 14.044 12.884 -11.790 1.00 0.00 C ATOM 0 H ALA A 15 12.771 13.422 -9.745 1.00 0.00 H new ATOM 0 HA ALA A 15 14.730 14.833 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.553 12.888 -12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.672 12.388 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.099 12.349 -11.881 1.00 0.00 H new ATOM 230 N SER A 16 13.548 15.197 -13.598 1.00 0.00 N ATOM 231 CA SER A 16 12.910 15.940 -14.678 1.00 0.00 C ATOM 232 C SER A 16 12.217 15.002 -15.656 1.00 0.00 C ATOM 233 O SER A 16 12.474 13.798 -15.666 1.00 0.00 O ATOM 234 CB SER A 16 13.938 16.781 -15.410 1.00 0.00 C ATOM 235 OG SER A 16 14.833 15.971 -16.123 1.00 0.00 O ATOM 0 H SER A 16 14.461 14.808 -13.836 1.00 0.00 H new ATOM 0 HA SER A 16 12.156 16.593 -14.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.434 17.463 -16.095 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.487 17.394 -14.696 1.00 0.00 H new ATOM 0 HG SER A 16 15.486 16.535 -16.588 1.00 0.00 H new ATOM 241 N ASP A 17 11.336 15.560 -16.480 1.00 0.00 N ATOM 242 CA ASP A 17 10.626 14.779 -17.487 1.00 0.00 C ATOM 243 C ASP A 17 11.595 13.982 -18.349 1.00 0.00 C ATOM 244 O ASP A 17 11.361 12.810 -18.643 1.00 0.00 O ATOM 245 CB ASP A 17 9.777 15.693 -18.373 1.00 0.00 C ATOM 246 CG ASP A 17 8.576 16.279 -17.642 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.267 15.807 -16.574 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.979 17.193 -18.160 1.00 0.00 O1- ATOM 0 H ASP A 17 11.096 16.551 -16.470 1.00 0.00 H new ATOM 0 HA ASP A 17 9.973 14.080 -16.965 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.399 16.505 -18.749 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.429 15.130 -19.239 1.00 0.00 H new ATOM 253 N GLU A 18 12.687 14.625 -18.752 1.00 0.00 N ATOM 254 CA GLU A 18 13.707 13.968 -19.561 1.00 0.00 C ATOM 255 C GLU A 18 14.348 12.810 -18.806 1.00 0.00 C ATOM 256 O GLU A 18 14.491 11.710 -19.341 1.00 0.00 O ATOM 257 CB GLU A 18 14.782 14.973 -19.981 1.00 0.00 C ATOM 258 CG GLU A 18 15.909 14.376 -20.812 1.00 0.00 C ATOM 259 CD GLU A 18 16.955 15.388 -21.192 1.00 0.00 C ATOM 260 OE1 GLU A 18 16.698 16.560 -21.055 1.00 0.00 O ATOM 261 OE2 GLU A 18 18.012 14.988 -21.620 1.00 0.00 O1- ATOM 0 H GLU A 18 12.888 15.600 -18.531 1.00 0.00 H new ATOM 0 HA GLU A 18 13.221 13.569 -20.451 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.311 15.774 -20.551 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.208 15.427 -19.086 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.379 13.568 -20.251 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.492 13.935 -21.717 1.00 0.00 H new ATOM 268 N GLU A 19 14.733 13.064 -17.560 1.00 0.00 N ATOM 269 CA GLU A 19 15.367 12.045 -16.731 1.00 0.00 C ATOM 270 C GLU A 19 14.425 10.876 -16.479 1.00 0.00 C ATOM 271 O GLU A 19 14.854 9.724 -16.409 1.00 0.00 O ATOM 272 CB GLU A 19 15.817 12.647 -15.398 1.00 0.00 C ATOM 273 CG GLU A 19 17.011 13.585 -15.503 1.00 0.00 C ATOM 274 CD GLU A 19 17.308 14.300 -14.214 1.00 0.00 C ATOM 275 OE1 GLU A 19 16.382 14.619 -13.507 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.462 14.528 -13.937 1.00 0.00 O1- ATOM 0 H GLU A 19 14.617 13.968 -17.101 1.00 0.00 H new ATOM 0 HA GLU A 19 16.239 11.673 -17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.981 13.191 -14.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.066 11.837 -14.713 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.889 13.015 -15.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.822 14.320 -16.285 1.00 0.00 H new ATOM 283 N ILE A 20 13.138 11.178 -16.342 1.00 0.00 N ATOM 284 CA ILE A 20 12.118 10.143 -16.206 1.00 0.00 C ATOM 285 C ILE A 20 12.060 9.262 -17.446 1.00 0.00 C ATOM 286 O ILE A 20 11.964 8.038 -17.346 1.00 0.00 O ATOM 287 CB ILE A 20 10.734 10.768 -15.955 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.675 11.390 -14.557 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.641 9.724 -16.122 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.490 12.305 -14.345 1.00 0.00 C ATOM 0 H ILE A 20 12.776 12.131 -16.322 1.00 0.00 H new ATOM 0 HA ILE A 20 12.392 9.526 -15.350 1.00 0.00 H new ATOM 0 HB ILE A 20 10.571 11.556 -16.690 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.643 10.592 -13.816 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.592 11.952 -14.381 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.669 10.183 -15.941 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.671 9.325 -17.136 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.799 8.915 -15.409 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.517 12.707 -13.332 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.531 13.125 -15.062 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.567 11.744 -14.488 1.00 0.00 H new ATOM 302 N LYS A 21 12.119 9.888 -18.616 1.00 0.00 N ATOM 303 CA LYS A 21 12.099 9.159 -19.878 1.00 0.00 C ATOM 304 C LYS A 21 13.322 8.260 -20.014 1.00 0.00 C ATOM 305 O LYS A 21 13.215 7.112 -20.446 1.00 0.00 O ATOM 306 CB LYS A 21 12.028 10.131 -21.058 1.00 0.00 C ATOM 307 CG LYS A 21 10.686 10.835 -21.212 1.00 0.00 C ATOM 308 CD LYS A 21 10.712 11.825 -22.366 1.00 0.00 C ATOM 309 CE LYS A 21 9.380 12.547 -22.508 1.00 0.00 C ATOM 310 NZ LYS A 21 9.401 13.543 -23.613 1.00 0.00 N1+ ATOM 0 H LYS A 21 12.181 10.901 -18.716 1.00 0.00 H new ATOM 0 HA LYS A 21 11.210 8.529 -19.884 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.808 10.883 -20.941 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.246 9.586 -21.976 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.902 10.096 -21.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.438 11.357 -20.288 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.507 12.553 -22.205 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.944 11.300 -23.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.590 11.818 -22.692 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.138 13.050 -21.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.475 14.012 -23.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.137 14.254 -23.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.606 13.061 -24.511 1.00 0.00 H new ATOM 324 N ARG A 22 14.483 8.789 -19.643 1.00 0.00 N ATOM 325 CA ARG A 22 15.718 8.016 -19.666 1.00 0.00 C ATOM 326 C ARG A 22 15.668 6.866 -18.666 1.00 0.00 C ATOM 327 O ARG A 22 15.917 5.713 -19.018 1.00 0.00 O ATOM 328 CB ARG A 22 16.913 8.904 -19.353 1.00 0.00 C ATOM 329 CG ARG A 22 17.243 9.933 -20.423 1.00 0.00 C ATOM 330 CD ARG A 22 18.386 10.793 -20.024 1.00 0.00 C ATOM 331 NE ARG A 22 18.623 11.859 -20.984 1.00 0.00 N ATOM 332 CZ ARG A 22 19.357 11.728 -22.106 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.918 10.575 -22.394 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 19.514 12.761 -22.917 1.00 0.00 N ATOM 0 H ARG A 22 14.594 9.751 -19.323 1.00 0.00 H new ATOM 0 HA ARG A 22 15.826 7.604 -20.669 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.724 9.425 -18.414 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.786 8.271 -19.196 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.480 9.424 -21.357 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.368 10.555 -20.612 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.190 11.225 -19.043 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.284 10.183 -19.930 1.00 0.00 H new ATOM 0 HE ARG A 22 18.204 12.770 -20.795 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.798 9.779 -21.768 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.474 10.476 -23.244 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.079 13.656 -22.693 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.070 12.662 -23.767 1.00 0.00 H new ATOM 348 N ALA A 23 15.346 7.189 -17.418 1.00 0.00 N ATOM 349 CA ALA A 23 15.205 6.178 -16.378 1.00 0.00 C ATOM 350 C ALA A 23 14.216 5.095 -16.791 1.00 0.00 C ATOM 351 O ALA A 23 14.463 3.906 -16.590 1.00 0.00 O ATOM 352 CB ALA A 23 14.769 6.820 -15.069 1.00 0.00 C ATOM 0 H ALA A 23 15.178 8.144 -17.102 1.00 0.00 H new ATOM 0 HA ALA A 23 16.178 5.708 -16.234 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.668 6.051 -14.303 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.515 7.550 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.810 7.319 -15.210 1.00 0.00 H new ATOM 358 N TYR A 24 13.097 5.514 -17.371 1.00 0.00 N ATOM 359 CA TYR A 24 12.061 4.581 -17.799 1.00 0.00 C ATOM 360 C TYR A 24 12.568 3.664 -18.905 1.00 0.00 C ATOM 361 O TYR A 24 12.361 2.452 -18.862 1.00 0.00 O ATOM 362 CB TYR A 24 10.818 5.341 -18.269 1.00 0.00 C ATOM 363 CG TYR A 24 9.770 4.459 -18.910 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.118 3.495 -18.156 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.461 4.614 -20.254 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.160 2.689 -18.742 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.504 3.808 -20.839 1.00 0.00 C ATOM 368 CZ TYR A 24 7.855 2.850 -20.088 1.00 0.00 C ATOM 369 OH TYR A 24 6.902 2.047 -20.671 1.00 0.00 O ATOM 0 H TYR A 24 12.884 6.494 -17.556 1.00 0.00 H new ATOM 0 HA TYR A 24 11.793 3.962 -16.943 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.374 5.856 -17.417 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.120 6.108 -18.983 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.359 3.374 -17.110 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.968 5.364 -20.842 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.651 1.938 -18.156 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.264 3.928 -21.885 1.00 0.00 H new ATOM 0 HH TYR A 24 6.259 2.603 -21.158 1.00 0.00 H new ATOM 379 N ARG A 25 13.234 4.250 -19.894 1.00 0.00 N ATOM 380 CA ARG A 25 13.813 3.482 -20.990 1.00 0.00 C ATOM 381 C ARG A 25 14.722 2.377 -20.467 1.00 0.00 C ATOM 382 O ARG A 25 14.611 1.222 -20.881 1.00 0.00 O ATOM 383 CB ARG A 25 14.605 4.388 -21.919 1.00 0.00 C ATOM 384 CG ARG A 25 15.183 3.699 -23.146 1.00 0.00 C ATOM 385 CD ARG A 25 16.312 4.469 -23.727 1.00 0.00 C ATOM 386 NE ARG A 25 17.490 4.432 -22.877 1.00 0.00 N ATOM 387 CZ ARG A 25 18.616 5.136 -23.099 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.703 5.925 -24.147 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.636 5.034 -22.263 1.00 0.00 N ATOM 0 H ARG A 25 13.386 5.256 -19.959 1.00 0.00 H new ATOM 0 HA ARG A 25 12.990 3.028 -21.542 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.958 5.201 -22.248 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.422 4.838 -21.355 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.525 2.700 -22.875 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.402 3.576 -23.896 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.560 4.064 -24.708 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.006 5.504 -23.877 1.00 0.00 H new ATOM 0 HE ARG A 25 17.462 3.830 -22.054 1.00 0.00 H new ATOM 0 HH11 ARG A 25 17.917 6.004 -24.792 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.556 6.458 -24.315 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.570 4.422 -21.450 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.489 5.567 -22.432 1.00 0.00 H new ATOM 403 N ARG A 26 15.619 2.736 -19.555 1.00 0.00 N ATOM 404 CA ARG A 26 16.501 1.764 -18.923 1.00 0.00 C ATOM 405 C ARG A 26 15.710 0.591 -18.354 1.00 0.00 C ATOM 406 O ARG A 26 16.093 -0.566 -18.521 1.00 0.00 O ATOM 407 CB ARG A 26 17.306 2.415 -17.809 1.00 0.00 C ATOM 408 CG ARG A 26 18.215 1.470 -17.039 1.00 0.00 C ATOM 409 CD ARG A 26 18.952 2.175 -15.959 1.00 0.00 C ATOM 410 NE ARG A 26 18.053 2.719 -14.955 1.00 0.00 N ATOM 411 CZ ARG A 26 18.404 3.634 -14.029 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.633 4.095 -13.994 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.510 4.067 -13.157 1.00 0.00 N ATOM 0 H ARG A 26 15.754 3.696 -19.237 1.00 0.00 H new ATOM 0 HA ARG A 26 17.180 1.392 -19.690 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.914 3.212 -18.238 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.615 2.883 -17.108 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.621 0.664 -16.608 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.926 1.010 -17.725 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.650 1.485 -15.485 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.545 2.981 -16.391 1.00 0.00 H new ATOM 0 HE ARG A 26 17.089 2.385 -14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.322 3.761 -14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.898 4.787 -13.293 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.555 3.709 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.775 4.759 -12.456 1.00 0.00 H new ATOM 427 N GLN A 27 14.607 0.899 -17.682 1.00 0.00 N ATOM 428 CA GLN A 27 13.819 -0.118 -16.996 1.00 0.00 C ATOM 429 C GLN A 27 13.088 -1.011 -17.991 1.00 0.00 C ATOM 430 O GLN A 27 13.102 -2.235 -17.866 1.00 0.00 O ATOM 431 CB GLN A 27 12.813 0.534 -16.044 1.00 0.00 C ATOM 432 CG GLN A 27 13.443 1.175 -14.818 1.00 0.00 C ATOM 433 CD GLN A 27 14.333 0.213 -14.055 1.00 0.00 C ATOM 434 OE1 GLN A 27 14.219 -1.007 -14.198 1.00 0.00 O ATOM 435 NE2 GLN A 27 15.228 0.758 -13.238 1.00 0.00 N ATOM 0 H GLN A 27 14.238 1.846 -17.597 1.00 0.00 H new ATOM 0 HA GLN A 27 14.506 -0.737 -16.418 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.252 1.293 -16.590 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.096 -0.220 -15.719 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.029 2.042 -15.125 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.656 1.540 -14.157 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.288 1.772 -13.151 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.856 0.162 -12.698 1.00 0.00 H new ATOM 444 N ALA A 28 12.451 -0.391 -18.978 1.00 0.00 N ATOM 445 CA ALA A 28 11.729 -1.130 -20.007 1.00 0.00 C ATOM 446 C ALA A 28 12.677 -1.986 -20.838 1.00 0.00 C ATOM 447 O ALA A 28 12.310 -3.067 -21.299 1.00 0.00 O ATOM 448 CB ALA A 28 10.958 -0.173 -20.904 1.00 0.00 C ATOM 0 H ALA A 28 12.420 0.623 -19.087 1.00 0.00 H new ATOM 0 HA ALA A 28 11.022 -1.795 -19.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.424 -0.740 -21.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.243 0.391 -20.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.653 0.516 -21.384 1.00 0.00 H new ATOM 454 N LEU A 29 13.898 -1.496 -21.026 1.00 0.00 N ATOM 455 CA LEU A 29 14.958 -2.293 -21.628 1.00 0.00 C ATOM 456 C LEU A 29 15.354 -3.455 -20.724 1.00 0.00 C ATOM 457 O LEU A 29 15.656 -4.549 -21.201 1.00 0.00 O ATOM 458 CB LEU A 29 16.186 -1.417 -21.911 1.00 0.00 C ATOM 459 CG LEU A 29 16.013 -0.368 -23.017 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.243 0.528 -23.064 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.795 -1.068 -24.350 1.00 0.00 C ATOM 0 H LEU A 29 14.177 -0.549 -20.769 1.00 0.00 H new ATOM 0 HA LEU A 29 14.579 -2.699 -22.566 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.464 -0.905 -20.990 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.019 -2.067 -22.179 1.00 0.00 H new ATOM 0 HG LEU A 29 15.142 0.254 -22.809 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.120 1.273 -23.850 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.365 1.029 -22.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.126 -0.077 -23.272 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.672 -0.323 -25.136 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.657 -1.696 -24.576 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.900 -1.687 -24.294 1.00 0.00 H new ATOM 473 N ARG A 30 15.351 -3.210 -19.419 1.00 0.00 N ATOM 474 CA ARG A 30 15.694 -4.239 -18.445 1.00 0.00 C ATOM 475 C ARG A 30 14.680 -5.375 -18.462 1.00 0.00 C ATOM 476 O ARG A 30 15.044 -6.549 -18.376 1.00 0.00 O ATOM 477 CB ARG A 30 15.769 -3.650 -17.045 1.00 0.00 C ATOM 478 CG ARG A 30 16.168 -4.633 -15.956 1.00 0.00 C ATOM 479 CD ARG A 30 16.291 -3.969 -14.634 1.00 0.00 C ATOM 480 NE ARG A 30 16.602 -4.917 -13.577 1.00 0.00 N ATOM 481 CZ ARG A 30 16.700 -4.602 -12.271 1.00 0.00 C ATOM 482 NH1 ARG A 30 16.510 -3.362 -11.878 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 16.988 -5.539 -11.385 1.00 0.00 N ATOM 0 H ARG A 30 15.114 -2.306 -19.010 1.00 0.00 H new ATOM 0 HA ARG A 30 16.670 -4.637 -18.722 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.484 -2.827 -17.051 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.797 -3.226 -16.793 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.426 -5.429 -15.895 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.117 -5.101 -16.218 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.071 -3.209 -14.681 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.359 -3.455 -14.398 1.00 0.00 H new ATOM 0 HE ARG A 30 16.757 -5.889 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.288 -2.639 -12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.584 -3.123 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.136 -6.501 -11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.062 -5.300 -10.396 1.00 0.00 H new ATOM 497 N TYR A 31 13.404 -5.020 -18.574 1.00 0.00 N ATOM 498 CA TYR A 31 12.326 -5.997 -18.485 1.00 0.00 C ATOM 499 C TYR A 31 11.746 -6.306 -19.859 1.00 0.00 C ATOM 500 O TYR A 31 10.721 -6.978 -19.974 1.00 0.00 O ATOM 501 CB TYR A 31 11.227 -5.497 -17.545 1.00 0.00 C ATOM 502 CG TYR A 31 11.648 -5.430 -16.094 1.00 0.00 C ATOM 503 CD1 TYR A 31 12.108 -4.235 -15.560 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.574 -6.563 -15.296 1.00 0.00 C ATOM 505 CE1 TYR A 31 12.493 -4.173 -14.234 1.00 0.00 C ATOM 506 CE2 TYR A 31 11.960 -6.501 -13.971 1.00 0.00 C ATOM 507 CZ TYR A 31 12.417 -5.312 -13.441 1.00 0.00 C ATOM 508 OH TYR A 31 12.800 -5.251 -12.120 1.00 0.00 O ATOM 0 H TYR A 31 13.091 -4.061 -18.727 1.00 0.00 H new ATOM 0 HA TYR A 31 12.743 -6.919 -18.080 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.909 -4.505 -17.868 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.361 -6.153 -17.632 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.165 -3.353 -16.181 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.215 -7.493 -15.711 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.851 -3.244 -13.816 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.904 -7.383 -13.350 1.00 0.00 H new ATOM 0 HH TYR A 31 12.685 -6.131 -11.705 1.00 0.00 H new ATOM 518 N HIS A 32 12.408 -5.810 -20.899 1.00 0.00 N ATOM 519 CA HIS A 32 12.139 -6.255 -22.261 1.00 0.00 C ATOM 520 C HIS A 32 12.166 -7.776 -22.359 1.00 0.00 C ATOM 521 O HIS A 32 13.011 -8.431 -21.751 1.00 0.00 O ATOM 522 CB HIS A 32 13.155 -5.656 -23.238 1.00 0.00 C ATOM 523 CG HIS A 32 12.782 -5.831 -24.677 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.978 -7.014 -25.358 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.226 -4.972 -25.564 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.557 -6.876 -26.603 1.00 0.00 C ATOM 527 NE2 HIS A 32 12.097 -5.646 -26.754 1.00 0.00 N ATOM 0 H HIS A 32 13.135 -5.099 -20.824 1.00 0.00 H new ATOM 0 HA HIS A 32 11.141 -5.908 -22.528 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.265 -4.592 -23.027 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.127 -6.117 -23.065 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.938 -3.949 -25.372 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.584 -7.639 -27.367 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.709 -5.260 -27.615 1.00 0.00 H new ATOM 535 N PRO A 33 11.235 -8.330 -23.130 1.00 0.00 N ATOM 536 CA PRO A 33 11.086 -9.777 -23.228 1.00 0.00 C ATOM 537 C PRO A 33 12.410 -10.446 -23.573 1.00 0.00 C ATOM 538 O PRO A 33 12.710 -11.537 -23.090 1.00 0.00 O ATOM 539 CB PRO A 33 10.060 -9.941 -24.354 1.00 0.00 C ATOM 540 CG PRO A 33 9.176 -8.749 -24.221 1.00 0.00 C ATOM 541 CD PRO A 33 10.113 -7.628 -23.856 1.00 0.00 C ATOM 0 HA PRO A 33 10.771 -10.243 -22.294 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.543 -9.972 -25.331 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.497 -10.868 -24.247 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.649 -8.539 -25.152 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.418 -8.900 -23.452 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.474 -7.102 -24.740 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.626 -6.888 -23.222 1.00 0.00 H new ATOM 549 N ASP A 34 13.201 -9.784 -24.411 1.00 0.00 N ATOM 550 CA ASP A 34 14.463 -10.345 -24.878 1.00 0.00 C ATOM 551 C ASP A 34 15.605 -9.992 -23.935 1.00 0.00 C ATOM 552 O ASP A 34 16.774 -10.230 -24.241 1.00 0.00 O ATOM 553 CB ASP A 34 14.784 -9.845 -26.288 1.00 0.00 C ATOM 554 CG ASP A 34 13.808 -10.360 -27.337 1.00 0.00 C ATOM 555 OD1 ASP A 34 13.224 -11.395 -27.118 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.656 -9.716 -28.346 1.00 0.00 O1- ATOM 0 H ASP A 34 12.990 -8.857 -24.781 1.00 0.00 H new ATOM 0 HA ASP A 34 14.355 -11.429 -24.899 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.773 -8.755 -26.293 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.794 -10.154 -26.556 1.00 0.00 H new ATOM 561 N LYS A 35 15.262 -9.421 -22.785 1.00 0.00 N ATOM 562 CA LYS A 35 16.262 -8.935 -21.841 1.00 0.00 C ATOM 563 C LYS A 35 16.045 -9.527 -20.455 1.00 0.00 C ATOM 564 O LYS A 35 16.996 -9.727 -19.699 1.00 0.00 O ATOM 565 CB LYS A 35 16.233 -7.408 -21.771 1.00 0.00 C ATOM 566 CG LYS A 35 16.618 -6.710 -23.069 1.00 0.00 C ATOM 567 CD LYS A 35 18.063 -7.003 -23.445 1.00 0.00 C ATOM 568 CE LYS A 35 18.477 -6.237 -24.693 1.00 0.00 C ATOM 569 NZ LYS A 35 19.880 -6.533 -25.088 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.297 -9.283 -22.484 1.00 0.00 H new ATOM 0 HA LYS A 35 17.241 -9.255 -22.198 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.231 -7.089 -21.485 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.910 -7.080 -20.982 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.957 -7.038 -23.871 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.479 -5.634 -22.962 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.718 -6.734 -22.617 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.187 -8.073 -23.615 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.807 -6.493 -25.514 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.369 -5.167 -24.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.122 -5.991 -25.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.522 -6.265 -24.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.978 -7.550 -25.284 1.00 0.00 H new ATOM 583 N ASN A 36 14.788 -9.807 -20.126 1.00 0.00 N ATOM 584 CA ASN A 36 14.452 -10.437 -18.855 1.00 0.00 C ATOM 585 C ASN A 36 13.223 -11.327 -18.991 1.00 0.00 C ATOM 586 O ASN A 36 12.167 -10.881 -19.443 1.00 0.00 O ATOM 587 CB ASN A 36 14.235 -9.388 -17.780 1.00 0.00 C ATOM 588 CG ASN A 36 13.912 -9.991 -16.441 1.00 0.00 C ATOM 589 OD1 ASN A 36 12.769 -10.386 -16.183 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.898 -10.070 -15.583 1.00 0.00 N ATOM 0 H ASN A 36 13.985 -9.607 -20.723 1.00 0.00 H new ATOM 0 HA ASN A 36 15.292 -11.066 -18.560 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.131 -8.773 -17.691 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.423 -8.726 -18.082 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.739 -10.470 -14.658 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.825 -9.731 -15.839 1.00 0.00 H new ATOM 597 N LYS A 37 13.366 -12.588 -18.597 1.00 0.00 N ATOM 598 CA LYS A 37 12.248 -13.525 -18.606 1.00 0.00 C ATOM 599 C LYS A 37 12.073 -14.187 -17.245 1.00 0.00 C ATOM 600 O LYS A 37 12.586 -15.281 -17.007 1.00 0.00 O ATOM 601 CB LYS A 37 12.450 -14.588 -19.687 1.00 0.00 C ATOM 602 CG LYS A 37 12.451 -14.046 -21.110 1.00 0.00 C ATOM 603 CD LYS A 37 12.609 -15.166 -22.128 1.00 0.00 C ATOM 604 CE LYS A 37 12.620 -14.625 -23.550 1.00 0.00 C ATOM 605 NZ LYS A 37 12.766 -15.711 -24.557 1.00 0.00 N1+ ATOM 0 H LYS A 37 14.246 -12.985 -18.267 1.00 0.00 H new ATOM 0 HA LYS A 37 11.342 -12.962 -18.829 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.396 -15.099 -19.505 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.662 -15.335 -19.596 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.521 -13.510 -21.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.263 -13.328 -21.227 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.536 -15.707 -21.936 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.794 -15.880 -22.015 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.696 -14.078 -23.737 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.439 -13.914 -23.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.769 -15.300 -25.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.660 -16.217 -24.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.971 -16.376 -24.468 1.00 0.00 H new ATOM 619 N GLU A 38 11.346 -13.518 -16.357 1.00 0.00 N ATOM 620 CA GLU A 38 11.153 -14.012 -14.999 1.00 0.00 C ATOM 621 C GLU A 38 9.716 -13.803 -14.536 1.00 0.00 C ATOM 622 O GLU A 38 9.106 -12.774 -14.824 1.00 0.00 O ATOM 623 CB GLU A 38 12.116 -13.315 -14.036 1.00 0.00 C ATOM 624 CG GLU A 38 13.583 -13.648 -14.263 1.00 0.00 C ATOM 625 CD GLU A 38 14.495 -12.981 -13.272 1.00 0.00 C ATOM 626 OE1 GLU A 38 14.600 -11.778 -13.305 1.00 0.00 O ATOM 627 OE2 GLU A 38 15.089 -13.674 -12.480 1.00 0.00 O1- ATOM 0 H GLU A 38 10.881 -12.632 -16.553 1.00 0.00 H new ATOM 0 HA GLU A 38 11.361 -15.082 -15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.983 -12.237 -14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.848 -13.586 -13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.718 -14.728 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.867 -13.346 -15.271 1.00 0.00 H new ATOM 634 N PRO A 39 9.183 -14.785 -13.818 1.00 0.00 N ATOM 635 CA PRO A 39 7.828 -14.696 -13.287 1.00 0.00 C ATOM 636 C PRO A 39 7.752 -13.702 -12.135 1.00 0.00 C ATOM 637 O PRO A 39 8.557 -13.753 -11.204 1.00 0.00 O ATOM 638 CB PRO A 39 7.548 -16.128 -12.817 1.00 0.00 C ATOM 639 CG PRO A 39 8.892 -16.667 -12.465 1.00 0.00 C ATOM 640 CD PRO A 39 9.815 -16.077 -13.497 1.00 0.00 C ATOM 0 HA PRO A 39 7.101 -14.338 -14.016 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.876 -16.141 -11.959 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.075 -16.719 -13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.185 -16.375 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.904 -17.756 -12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.824 -15.945 -13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.895 -16.715 -14.377 1.00 0.00 H new ATOM 648 N GLY A 40 6.781 -12.799 -12.204 1.00 0.00 N ATOM 649 CA GLY A 40 6.644 -11.744 -11.206 1.00 0.00 C ATOM 650 C GLY A 40 7.354 -10.472 -11.649 1.00 0.00 C ATOM 651 O GLY A 40 6.839 -9.368 -11.474 1.00 0.00 O ATOM 0 H GLY A 40 6.076 -12.776 -12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.588 -11.534 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.057 -12.082 -10.256 1.00 0.00 H new ATOM 655 N ALA A 41 8.543 -10.633 -12.222 1.00 0.00 N ATOM 656 CA ALA A 41 9.241 -9.524 -12.862 1.00 0.00 C ATOM 657 C ALA A 41 8.406 -8.923 -13.985 1.00 0.00 C ATOM 658 O ALA A 41 8.400 -7.707 -14.183 1.00 0.00 O ATOM 659 CB ALA A 41 10.590 -9.985 -13.394 1.00 0.00 C ATOM 0 H ALA A 41 9.043 -11.521 -12.256 1.00 0.00 H new ATOM 0 HA ALA A 41 9.403 -8.750 -12.112 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.100 -9.147 -13.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.198 -10.359 -12.570 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.441 -10.780 -14.125 1.00 0.00 H new ATOM 665 N GLU A 42 7.703 -9.779 -14.718 1.00 0.00 N ATOM 666 CA GLU A 42 6.716 -9.325 -15.689 1.00 0.00 C ATOM 667 C GLU A 42 5.701 -8.389 -15.047 1.00 0.00 C ATOM 668 O GLU A 42 5.231 -7.441 -15.676 1.00 0.00 O ATOM 669 CB GLU A 42 5.995 -10.521 -16.316 1.00 0.00 C ATOM 670 CG GLU A 42 6.860 -11.358 -17.248 1.00 0.00 C ATOM 671 CD GLU A 42 6.132 -12.549 -17.809 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.030 -12.801 -17.385 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.680 -13.206 -18.661 1.00 0.00 O1- ATOM 0 H GLU A 42 7.799 -10.793 -14.658 1.00 0.00 H new ATOM 0 HA GLU A 42 7.245 -8.776 -16.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.617 -11.161 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.130 -10.158 -16.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.211 -10.733 -18.069 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.743 -11.699 -16.708 1.00 0.00 H new ATOM 680 N GLU A 43 5.367 -8.659 -13.789 1.00 0.00 N ATOM 681 CA GLU A 43 4.427 -7.825 -13.050 1.00 0.00 C ATOM 682 C GLU A 43 5.119 -6.596 -12.472 1.00 0.00 C ATOM 683 O GLU A 43 4.524 -5.523 -12.378 1.00 0.00 O ATOM 684 CB GLU A 43 3.770 -8.628 -11.926 1.00 0.00 C ATOM 685 CG GLU A 43 2.926 -9.802 -12.402 1.00 0.00 C ATOM 686 CD GLU A 43 1.753 -9.376 -13.239 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.040 -8.493 -12.826 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.568 -9.935 -14.296 1.00 0.00 O1- ATOM 0 H GLU A 43 5.734 -9.450 -13.260 1.00 0.00 H new ATOM 0 HA GLU A 43 3.658 -7.491 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.548 -9.002 -11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.142 -7.959 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.551 -10.482 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.566 -10.359 -11.537 1.00 0.00 H new ATOM 695 N LYS A 44 6.380 -6.761 -12.086 1.00 0.00 N ATOM 696 CA LYS A 44 7.199 -5.638 -11.646 1.00 0.00 C ATOM 697 C LYS A 44 7.391 -4.624 -12.767 1.00 0.00 C ATOM 698 O LYS A 44 7.454 -3.419 -12.523 1.00 0.00 O ATOM 699 CB LYS A 44 8.556 -6.130 -11.143 1.00 0.00 C ATOM 700 CG LYS A 44 8.499 -6.902 -9.831 1.00 0.00 C ATOM 701 CD LYS A 44 9.880 -7.383 -9.413 1.00 0.00 C ATOM 702 CE LYS A 44 9.823 -8.168 -8.110 1.00 0.00 C ATOM 703 NZ LYS A 44 11.164 -8.662 -7.698 1.00 0.00 N1+ ATOM 0 H LYS A 44 6.857 -7.662 -12.069 1.00 0.00 H new ATOM 0 HA LYS A 44 6.676 -5.145 -10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.003 -6.767 -11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.216 -5.272 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.081 -6.266 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.831 -7.756 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.302 -8.009 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.545 -6.527 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.412 -7.535 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.145 -9.014 -8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.080 -9.191 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.546 -9.287 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.805 -7.854 -7.562 1.00 0.00 H new ATOM 717 N PHE A 45 7.487 -5.120 -13.996 1.00 0.00 N ATOM 718 CA PHE A 45 7.523 -4.255 -15.170 1.00 0.00 C ATOM 719 C PHE A 45 6.205 -3.513 -15.348 1.00 0.00 C ATOM 720 O PHE A 45 6.190 -2.319 -15.648 1.00 0.00 O ATOM 721 CB PHE A 45 7.827 -5.074 -16.427 1.00 0.00 C ATOM 722 CG PHE A 45 7.956 -4.245 -17.672 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.289 -2.900 -17.597 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.742 -4.807 -18.922 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.408 -2.137 -18.744 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.862 -4.046 -20.069 1.00 0.00 C ATOM 727 CZ PHE A 45 8.194 -2.710 -19.980 1.00 0.00 C ATOM 0 H PHE A 45 7.541 -6.117 -14.205 1.00 0.00 H new ATOM 0 HA PHE A 45 8.315 -3.521 -15.018 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.753 -5.629 -16.273 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.035 -5.809 -16.571 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.457 -2.444 -16.632 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.479 -5.851 -19.000 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.669 -1.091 -18.672 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.696 -4.497 -21.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.286 -2.114 -20.876 1.00 0.00 H new ATOM 737 N LYS A 46 5.099 -4.226 -15.162 1.00 0.00 N ATOM 738 CA LYS A 46 3.779 -3.606 -15.160 1.00 0.00 C ATOM 739 C LYS A 46 3.680 -2.524 -14.093 1.00 0.00 C ATOM 740 O LYS A 46 3.065 -1.480 -14.310 1.00 0.00 O ATOM 741 CB LYS A 46 2.693 -4.661 -14.943 1.00 0.00 C ATOM 742 CG LYS A 46 2.482 -5.599 -16.124 1.00 0.00 C ATOM 743 CD LYS A 46 1.426 -6.650 -15.814 1.00 0.00 C ATOM 744 CE LYS A 46 1.292 -7.652 -16.950 1.00 0.00 C ATOM 745 NZ LYS A 46 0.341 -8.748 -16.615 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.091 -5.235 -15.011 1.00 0.00 H new ATOM 0 HA LYS A 46 3.629 -3.138 -16.133 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.950 -5.254 -14.065 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.752 -4.156 -14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.179 -5.023 -16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.423 -6.089 -16.375 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.689 -7.173 -14.895 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.466 -6.164 -15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.951 -7.138 -17.849 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.270 -8.077 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.278 -9.410 -17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.679 -9.255 -15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.599 -8.346 -16.424 1.00 0.00 H new ATOM 759 N GLU A 47 4.289 -2.780 -12.940 1.00 0.00 N ATOM 760 CA GLU A 47 4.377 -1.781 -11.881 1.00 0.00 C ATOM 761 C GLU A 47 5.220 -0.590 -12.318 1.00 0.00 C ATOM 762 O GLU A 47 4.845 0.562 -12.102 1.00 0.00 O ATOM 763 CB GLU A 47 4.966 -2.398 -10.612 1.00 0.00 C ATOM 764 CG GLU A 47 4.029 -3.351 -9.883 1.00 0.00 C ATOM 765 CD GLU A 47 4.636 -3.927 -8.634 1.00 0.00 C ATOM 766 OE1 GLU A 47 5.835 -4.068 -8.589 1.00 0.00 O ATOM 767 OE2 GLU A 47 3.901 -4.229 -7.724 1.00 0.00 O1- ATOM 0 H GLU A 47 4.729 -3.672 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 47 3.367 -1.429 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.879 -2.934 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.251 -1.596 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.111 -2.823 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.751 -4.164 -10.554 1.00 0.00 H new ATOM 774 N ILE A 48 6.364 -0.875 -12.932 1.00 0.00 N ATOM 775 CA ILE A 48 7.210 0.168 -13.500 1.00 0.00 C ATOM 776 C ILE A 48 6.506 0.885 -14.644 1.00 0.00 C ATOM 777 O ILE A 48 6.835 2.026 -14.970 1.00 0.00 O ATOM 778 CB ILE A 48 8.542 -0.417 -14.001 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.411 -0.855 -12.820 1.00 0.00 C ATOM 780 CG2 ILE A 48 9.279 0.598 -14.861 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.610 -1.686 -13.218 1.00 0.00 C ATOM 0 H ILE A 48 6.727 -1.821 -13.049 1.00 0.00 H new ATOM 0 HA ILE A 48 7.414 0.888 -12.708 1.00 0.00 H new ATOM 0 HB ILE A 48 8.327 -1.293 -14.613 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.756 0.031 -12.287 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.799 -1.428 -12.124 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.219 0.168 -15.207 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.663 0.862 -15.720 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.484 1.492 -14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.176 -1.958 -12.327 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.274 -2.591 -13.724 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.246 -1.109 -13.890 1.00 0.00 H new ATOM 793 N ALA A 49 5.537 0.210 -15.253 1.00 0.00 N ATOM 794 CA ALA A 49 4.711 0.819 -16.288 1.00 0.00 C ATOM 795 C ALA A 49 3.682 1.767 -15.685 1.00 0.00 C ATOM 796 O ALA A 49 3.302 2.761 -16.303 1.00 0.00 O ATOM 797 CB ALA A 49 4.021 -0.255 -17.116 1.00 0.00 C ATOM 0 H ALA A 49 5.304 -0.761 -15.047 1.00 0.00 H new ATOM 0 HA ALA A 49 5.363 1.401 -16.940 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.408 0.216 -17.885 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.772 -0.889 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.388 -0.863 -16.469 1.00 0.00 H new ATOM 803 N GLU A 50 3.234 1.452 -14.475 1.00 0.00 N ATOM 804 CA GLU A 50 2.392 2.363 -13.709 1.00 0.00 C ATOM 805 C GLU A 50 3.162 3.614 -13.302 1.00 0.00 C ATOM 806 O GLU A 50 2.609 4.713 -13.272 1.00 0.00 O ATOM 807 CB GLU A 50 1.844 1.664 -12.464 1.00 0.00 C ATOM 808 CG GLU A 50 0.797 0.597 -12.751 1.00 0.00 C ATOM 809 CD GLU A 50 -0.479 1.166 -13.308 1.00 0.00 C ATOM 810 OE1 GLU A 50 -1.099 1.954 -12.634 1.00 0.00 O ATOM 811 OE2 GLU A 50 -0.835 0.810 -14.406 1.00 0.00 O1- ATOM 0 H GLU A 50 3.440 0.572 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 50 1.561 2.663 -14.347 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.673 1.206 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.409 2.414 -11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.206 -0.126 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.576 0.055 -11.832 1.00 0.00 H new ATOM 818 N ALA A 51 4.442 3.439 -12.991 1.00 0.00 N ATOM 819 CA ALA A 51 5.340 4.568 -12.780 1.00 0.00 C ATOM 820 C ALA A 51 5.241 5.572 -13.921 1.00 0.00 C ATOM 821 O ALA A 51 4.808 6.708 -13.726 1.00 0.00 O ATOM 822 CB ALA A 51 6.774 4.083 -12.624 1.00 0.00 C ATOM 0 H ALA A 51 4.881 2.525 -12.879 1.00 0.00 H new ATOM 0 HA ALA A 51 5.037 5.071 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.432 4.938 -12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.840 3.412 -11.767 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.078 3.551 -13.526 1.00 0.00 H new ATOM 828 N TYR A 52 5.646 5.147 -15.113 1.00 0.00 N ATOM 829 CA TYR A 52 5.609 6.010 -16.287 1.00 0.00 C ATOM 830 C TYR A 52 4.183 6.434 -16.616 1.00 0.00 C ATOM 831 O TYR A 52 3.938 7.577 -16.998 1.00 0.00 O ATOM 832 CB TYR A 52 6.243 5.305 -17.489 1.00 0.00 C ATOM 833 CG TYR A 52 6.652 6.245 -18.602 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.539 7.280 -18.345 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.139 6.072 -19.880 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.912 8.139 -19.361 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.513 6.931 -20.895 1.00 0.00 C ATOM 838 CZ TYR A 52 7.395 7.960 -20.640 1.00 0.00 C ATOM 839 OH TYR A 52 7.767 8.815 -21.651 1.00 0.00 O ATOM 0 H TYR A 52 6.004 4.209 -15.291 1.00 0.00 H new ATOM 0 HA TYR A 52 6.184 6.908 -16.060 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.120 4.751 -17.153 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.537 4.575 -17.884 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.938 7.414 -17.351 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.448 5.267 -20.081 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.602 8.946 -19.163 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.114 6.797 -21.890 1.00 0.00 H new ATOM 0 HH TYR A 52 7.477 8.449 -22.513 1.00 0.00 H new ATOM 849 N ASP A 53 3.245 5.504 -16.465 1.00 0.00 N ATOM 850 CA ASP A 53 1.826 5.825 -16.557 1.00 0.00 C ATOM 851 C ASP A 53 1.512 7.138 -15.850 1.00 0.00 C ATOM 852 O ASP A 53 0.913 8.041 -16.434 1.00 0.00 O ATOM 853 CB ASP A 53 0.982 4.700 -15.957 1.00 0.00 C ATOM 854 CG ASP A 53 -0.508 4.867 -16.228 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.884 4.883 -17.376 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.254 4.978 -15.286 1.00 0.00 O1- ATOM 0 H ASP A 53 3.443 4.521 -16.278 1.00 0.00 H new ATOM 0 HA ASP A 53 1.579 5.933 -17.613 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.315 3.746 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.148 4.662 -14.880 1.00 0.00 H new ATOM 861 N VAL A 54 1.919 7.237 -14.589 1.00 0.00 N ATOM 862 CA VAL A 54 1.813 8.487 -13.846 1.00 0.00 C ATOM 863 C VAL A 54 2.593 9.602 -14.530 1.00 0.00 C ATOM 864 O VAL A 54 2.103 10.723 -14.668 1.00 0.00 O ATOM 865 CB VAL A 54 2.339 8.302 -12.410 1.00 0.00 C ATOM 866 CG1 VAL A 54 2.494 9.649 -11.721 1.00 0.00 C ATOM 867 CG2 VAL A 54 1.397 7.400 -11.627 1.00 0.00 C ATOM 0 H VAL A 54 2.326 6.466 -14.060 1.00 0.00 H new ATOM 0 HA VAL A 54 0.760 8.766 -13.816 1.00 0.00 H new ATOM 0 HB VAL A 54 3.321 7.830 -12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.866 9.499 -10.708 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.200 10.264 -12.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.527 10.151 -11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.774 7.273 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.406 7.852 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.335 6.427 -12.115 1.00 0.00 H new ATOM 877 N LEU A 55 3.813 9.288 -14.955 1.00 0.00 N ATOM 878 CA LEU A 55 4.788 10.313 -15.309 1.00 0.00 C ATOM 879 C LEU A 55 4.701 10.669 -16.788 1.00 0.00 C ATOM 880 O LEU A 55 5.340 11.616 -17.247 1.00 0.00 O ATOM 881 CB LEU A 55 6.206 9.834 -14.975 1.00 0.00 C ATOM 882 CG LEU A 55 6.439 9.416 -13.518 1.00 0.00 C ATOM 883 CD1 LEU A 55 7.875 8.935 -13.352 1.00 0.00 C ATOM 884 CD2 LEU A 55 6.148 10.593 -12.598 1.00 0.00 C ATOM 0 H LEU A 55 4.150 8.331 -15.063 1.00 0.00 H new ATOM 0 HA LEU A 55 4.561 11.206 -14.726 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.446 8.988 -15.619 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.907 10.631 -15.222 1.00 0.00 H new ATOM 0 HG LEU A 55 5.768 8.599 -13.253 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.042 8.638 -12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.051 8.082 -14.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.561 9.741 -13.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.314 10.295 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.810 11.422 -12.848 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.111 10.906 -12.724 1.00 0.00 H new ATOM 896 N SER A 56 3.907 9.904 -17.530 1.00 0.00 N ATOM 897 CA SER A 56 3.647 10.202 -18.933 1.00 0.00 C ATOM 898 C SER A 56 2.218 10.687 -19.138 1.00 0.00 C ATOM 899 O SER A 56 1.948 11.498 -20.025 1.00 0.00 O ATOM 900 CB SER A 56 3.901 8.974 -19.784 1.00 0.00 C ATOM 901 OG SER A 56 3.007 7.945 -19.460 1.00 0.00 O ATOM 0 H SER A 56 3.432 9.071 -17.182 1.00 0.00 H new ATOM 0 HA SER A 56 4.325 10.999 -19.238 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.799 9.230 -20.838 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.925 8.631 -19.637 1.00 0.00 H new ATOM 0 HG SER A 56 3.103 7.715 -18.512 1.00 0.00 H new ATOM 907 N ASP A 57 1.304 10.186 -18.313 1.00 0.00 N ATOM 908 CA ASP A 57 -0.117 10.460 -18.486 1.00 0.00 C ATOM 909 C ASP A 57 -0.644 11.358 -17.374 1.00 0.00 C ATOM 910 O ASP A 57 -0.643 10.979 -16.203 1.00 0.00 O ATOM 911 CB ASP A 57 -0.915 9.154 -18.517 1.00 0.00 C ATOM 912 CG ASP A 57 -2.362 9.354 -18.946 1.00 0.00 C ATOM 913 OD1 ASP A 57 -2.879 10.428 -18.743 1.00 0.00 O ATOM 914 OD2 ASP A 57 -2.937 8.433 -19.475 1.00 0.00 O1- ATOM 0 H ASP A 57 1.523 9.587 -17.517 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.241 10.978 -19.437 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.432 8.455 -19.200 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.894 8.698 -17.527 1.00 0.00 H new ATOM 919 N PRO A 58 -1.095 12.551 -17.748 1.00 0.00 N ATOM 920 CA PRO A 58 -1.520 13.549 -16.773 1.00 0.00 C ATOM 921 C PRO A 58 -2.658 13.024 -15.907 1.00 0.00 C ATOM 922 O PRO A 58 -2.924 13.553 -14.829 1.00 0.00 O ATOM 923 CB PRO A 58 -1.974 14.718 -17.653 1.00 0.00 C ATOM 924 CG PRO A 58 -1.154 14.584 -18.890 1.00 0.00 C ATOM 925 CD PRO A 58 -1.061 13.099 -19.119 1.00 0.00 C ATOM 0 HA PRO A 58 -0.735 13.826 -16.069 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.040 14.660 -17.873 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.802 15.676 -17.163 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.624 15.088 -19.735 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.167 15.029 -18.763 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.891 12.730 -19.722 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.143 12.827 -19.640 1.00 0.00 H new ATOM 933 N ARG A 59 -3.326 11.979 -16.386 1.00 0.00 N ATOM 934 CA ARG A 59 -4.550 11.500 -15.757 1.00 0.00 C ATOM 935 C ARG A 59 -4.246 10.708 -14.491 1.00 0.00 C ATOM 936 O ARG A 59 -5.074 10.629 -13.583 1.00 0.00 O ATOM 937 CB ARG A 59 -5.340 10.626 -16.720 1.00 0.00 C ATOM 938 CG ARG A 59 -5.947 11.364 -17.903 1.00 0.00 C ATOM 939 CD ARG A 59 -6.696 10.445 -18.798 1.00 0.00 C ATOM 940 NE ARG A 59 -5.815 9.498 -19.464 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.230 8.509 -20.277 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.513 8.349 -20.517 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.348 7.699 -20.836 1.00 0.00 N ATOM 0 H ARG A 59 -3.039 11.448 -17.208 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.144 12.374 -15.490 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.684 9.842 -17.097 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.141 10.134 -16.168 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.616 12.145 -17.541 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.157 11.858 -18.468 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.442 9.901 -18.218 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.236 11.026 -19.546 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.812 9.590 -19.303 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.194 8.975 -20.087 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.827 7.599 -21.133 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.353 7.823 -20.651 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.663 6.949 -21.452 1.00 0.00 H new ATOM 957 N LYS A 60 -3.054 10.124 -14.437 1.00 0.00 N ATOM 958 CA LYS A 60 -2.569 9.488 -13.219 1.00 0.00 C ATOM 959 C LYS A 60 -1.459 10.307 -12.573 1.00 0.00 C ATOM 960 O LYS A 60 -1.060 10.045 -11.439 1.00 0.00 O ATOM 961 CB LYS A 60 -2.072 8.071 -13.516 1.00 0.00 C ATOM 962 CG LYS A 60 -3.138 6.992 -13.389 1.00 0.00 C ATOM 963 CD LYS A 60 -4.139 7.065 -14.533 1.00 0.00 C ATOM 964 CE LYS A 60 -5.184 5.964 -14.427 1.00 0.00 C ATOM 965 NZ LYS A 60 -6.188 6.044 -15.521 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.406 10.078 -15.223 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.402 9.432 -12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.665 8.046 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.252 7.837 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.665 6.010 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.660 7.104 -12.439 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.631 8.038 -14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.614 6.980 -15.484 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.691 4.992 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.690 6.035 -13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.882 5.277 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.676 6.961 -15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.709 5.950 -16.439 1.00 0.00 H new ATOM 979 N ARG A 61 -0.963 11.300 -13.304 1.00 0.00 N ATOM 980 CA ARG A 61 -0.021 12.264 -12.747 1.00 0.00 C ATOM 981 C ARG A 61 -0.638 13.027 -11.582 1.00 0.00 C ATOM 982 O ARG A 61 -0.096 13.037 -10.477 1.00 0.00 O ATOM 983 CB ARG A 61 0.428 13.251 -13.814 1.00 0.00 C ATOM 984 CG ARG A 61 1.542 14.193 -13.385 1.00 0.00 C ATOM 985 CD ARG A 61 1.969 15.081 -14.497 1.00 0.00 C ATOM 986 NE ARG A 61 2.706 14.354 -15.518 1.00 0.00 N ATOM 987 CZ ARG A 61 2.726 14.679 -16.826 1.00 0.00 C ATOM 988 NH1 ARG A 61 2.046 15.720 -17.253 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 3.428 13.952 -17.677 1.00 0.00 N ATOM 0 H ARG A 61 -1.198 11.458 -14.284 1.00 0.00 H new ATOM 0 HA ARG A 61 0.842 11.706 -12.383 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.761 12.692 -14.689 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.432 13.845 -14.124 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.203 14.799 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.395 13.612 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.092 15.549 -14.945 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.592 15.884 -14.102 1.00 0.00 H new ATOM 0 HE ARG A 61 3.246 13.540 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.504 16.280 -16.595 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.060 15.967 -18.242 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.955 13.145 -17.344 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.443 14.198 -18.667 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.776 13.665 -11.836 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.503 14.378 -10.792 1.00 0.00 C ATOM 1005 C GLU A 62 -2.757 13.482 -9.587 1.00 0.00 C ATOM 1006 O GLU A 62 -2.590 13.903 -8.442 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.832 14.908 -11.336 1.00 0.00 C ATOM 1008 CG GLU A 62 -4.713 15.584 -10.294 1.00 0.00 C ATOM 1009 CD GLU A 62 -4.115 16.856 -9.759 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -3.317 17.449 -10.445 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -4.458 17.235 -8.664 1.00 0.00 O1- ATOM 0 H GLU A 62 -2.215 13.703 -12.756 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.887 15.218 -10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.626 15.619 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.385 14.080 -11.780 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.686 15.803 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.885 14.894 -9.468 1.00 0.00 H new ATOM 1018 N ILE A 63 -3.161 12.245 -9.851 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.597 11.339 -8.795 1.00 0.00 C ATOM 1020 C ILE A 63 -2.429 10.925 -7.908 1.00 0.00 C ATOM 1021 O ILE A 63 -2.354 11.315 -6.743 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.264 10.084 -9.387 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.577 10.453 -10.081 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.504 9.047 -8.301 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.168 9.333 -10.905 1.00 0.00 C ATOM 0 H ILE A 63 -3.196 11.846 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.326 11.876 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.593 9.653 -10.130 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.302 10.758 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.406 11.315 -10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.976 8.166 -8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.552 8.764 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.156 9.467 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.097 9.671 -11.365 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.462 9.042 -11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.372 8.477 -10.262 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.521 10.132 -8.467 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.285 9.779 -7.779 1.00 0.00 C ATOM 1039 C PHE A 64 0.311 10.985 -7.064 1.00 0.00 C ATOM 1040 O PHE A 64 0.517 10.961 -5.851 1.00 0.00 O ATOM 1041 CB PHE A 64 0.734 9.211 -8.768 1.00 0.00 C ATOM 1042 CG PHE A 64 2.066 8.894 -8.151 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.352 7.614 -7.699 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.037 9.875 -8.019 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.577 7.321 -7.131 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.263 9.586 -7.452 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.533 8.308 -7.008 1.00 0.00 C ATOM 0 H PHE A 64 -1.618 9.721 -9.396 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.525 9.020 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.326 8.304 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.880 9.927 -9.577 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.608 6.837 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.832 10.878 -8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.786 6.320 -6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.010 10.360 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.491 8.081 -6.565 1.00 0.00 H new ATOM 1057 N ASP A 65 0.587 12.040 -7.824 1.00 0.00 N ATOM 1058 CA ASP A 65 1.233 13.228 -7.279 1.00 0.00 C ATOM 1059 C ASP A 65 0.456 13.782 -6.092 1.00 0.00 C ATOM 1060 O ASP A 65 1.040 14.153 -5.074 1.00 0.00 O ATOM 1061 CB ASP A 65 1.366 14.307 -8.357 1.00 0.00 C ATOM 1062 CG ASP A 65 2.183 15.507 -7.896 1.00 0.00 C ATOM 1063 OD1 ASP A 65 3.332 15.328 -7.569 1.00 0.00 O ATOM 1064 OD2 ASP A 65 1.650 16.591 -7.875 1.00 0.00 O1- ATOM 0 H ASP A 65 0.373 12.096 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 65 2.226 12.937 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.833 13.874 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.372 14.642 -8.653 1.00 0.00 H new ATOM 1069 N ARG A 66 -0.865 13.834 -6.227 1.00 0.00 N ATOM 1070 CA ARG A 66 -1.713 14.475 -5.230 1.00 0.00 C ATOM 1071 C ARG A 66 -1.726 13.685 -3.928 1.00 0.00 C ATOM 1072 O ARG A 66 -1.413 14.219 -2.864 1.00 0.00 O ATOM 1073 CB ARG A 66 -3.136 14.616 -5.748 1.00 0.00 C ATOM 1074 CG ARG A 66 -4.103 15.292 -4.787 1.00 0.00 C ATOM 1075 CD ARG A 66 -3.752 16.718 -4.568 1.00 0.00 C ATOM 1076 NE ARG A 66 -3.813 17.488 -5.800 1.00 0.00 N ATOM 1077 CZ ARG A 66 -3.414 18.768 -5.923 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -2.928 19.408 -4.882 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -3.511 19.381 -7.090 1.00 0.00 N ATOM 0 H ARG A 66 -1.372 13.439 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.299 15.464 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.114 15.184 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.519 13.625 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.117 15.223 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.096 14.765 -3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.433 17.151 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.748 16.784 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.184 17.026 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.853 18.935 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.626 20.378 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.888 18.884 -7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.209 20.351 -7.183 1.00 0.00 H new ATOM 1093 N TYR A 67 -2.089 12.410 -4.018 1.00 0.00 N ATOM 1094 CA TYR A 67 -2.254 11.575 -2.837 1.00 0.00 C ATOM 1095 C TYR A 67 -1.176 10.500 -2.765 1.00 0.00 C ATOM 1096 O TYR A 67 -0.582 10.273 -1.711 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.644 10.933 -2.824 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.778 11.933 -2.804 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -5.609 12.062 -3.908 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -4.988 12.722 -1.683 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -6.645 12.976 -3.891 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -6.024 13.636 -1.665 1.00 0.00 C ATOM 1103 CZ TYR A 67 -6.850 13.763 -2.763 1.00 0.00 C ATOM 1104 OH TYR A 67 -7.882 14.673 -2.746 1.00 0.00 O ATOM 0 H TYR A 67 -2.275 11.932 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.153 12.215 -1.960 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.748 10.297 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.727 10.286 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.446 11.448 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.341 12.622 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.292 13.079 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.187 14.251 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.890 15.142 -1.886 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.928 9.843 -3.892 1.00 0.00 N ATOM 1115 CA GLY A 68 0.077 8.789 -3.959 1.00 0.00 C ATOM 1116 C GLY A 68 -0.485 7.532 -4.611 1.00 0.00 C ATOM 1117 O GLY A 68 -1.398 7.603 -5.433 1.00 0.00 O ATOM 0 H GLY A 68 -1.410 10.022 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.939 9.141 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.429 8.554 -2.954 1.00 0.00 H new ATOM 1121 N GLU A 69 0.068 6.382 -4.240 1.00 0.00 N ATOM 1122 CA GLU A 69 -0.273 5.123 -4.892 1.00 0.00 C ATOM 1123 C GLU A 69 -1.615 4.595 -4.403 1.00 0.00 C ATOM 1124 O GLU A 69 -2.381 4.012 -5.171 1.00 0.00 O ATOM 1125 CB GLU A 69 0.818 4.080 -4.640 1.00 0.00 C ATOM 1126 CG GLU A 69 2.212 4.510 -5.077 1.00 0.00 C ATOM 1127 CD GLU A 69 2.904 5.371 -4.057 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.341 5.591 -3.012 1.00 0.00 O ATOM 1129 OE2 GLU A 69 3.998 5.809 -4.324 1.00 0.00 O1- ATOM 0 H GLU A 69 0.755 6.296 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.348 5.312 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.840 3.845 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.553 3.161 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.817 3.624 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.140 5.056 -6.018 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.896 4.804 -3.121 1.00 0.00 N ATOM 1137 CA GLU A 70 -3.105 4.270 -2.506 1.00 0.00 C ATOM 1138 C GLU A 70 -4.356 4.852 -3.151 1.00 0.00 C ATOM 1139 O GLU A 70 -5.400 4.203 -3.202 1.00 0.00 O ATOM 1140 CB GLU A 70 -3.111 4.560 -1.004 1.00 0.00 C ATOM 1141 CG GLU A 70 -2.075 3.780 -0.208 1.00 0.00 C ATOM 1142 CD GLU A 70 -2.058 4.148 1.249 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -2.736 5.077 1.616 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -1.367 3.497 1.998 1.00 0.00 O1- ATOM 0 H GLU A 70 -1.302 5.340 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.110 3.191 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.941 5.626 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.101 4.335 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.277 2.713 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.088 3.958 -0.634 1.00 0.00 H new ATOM 1151 N GLY A 71 -4.244 6.082 -3.643 1.00 0.00 N ATOM 1152 CA GLY A 71 -5.376 6.768 -4.254 1.00 0.00 C ATOM 1153 C GLY A 71 -5.572 6.328 -5.699 1.00 0.00 C ATOM 1154 O GLY A 71 -6.563 6.684 -6.337 1.00 0.00 O ATOM 0 H GLY A 71 -3.380 6.624 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.281 6.562 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.214 7.845 -4.218 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.623 5.551 -6.209 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.696 5.049 -7.577 1.00 0.00 C ATOM 1160 C LEU A 72 -5.090 3.578 -7.604 1.00 0.00 C ATOM 1161 O LEU A 72 -5.723 3.112 -8.552 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.348 5.237 -8.284 1.00 0.00 C ATOM 1163 CG LEU A 72 -3.259 4.671 -9.707 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -4.382 5.249 -10.556 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -1.898 5.003 -10.301 1.00 0.00 C ATOM 0 H LEU A 72 -3.793 5.255 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.462 5.620 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.124 6.303 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.572 4.770 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.369 3.587 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.318 4.846 -11.567 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.344 4.981 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.290 6.335 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.834 4.601 -11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.769 6.085 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.115 4.561 -9.685 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.712 2.851 -6.558 1.00 0.00 N ATOM 1178 CA LYS A 73 -5.121 1.459 -6.405 1.00 0.00 C ATOM 1179 C LYS A 73 -6.490 1.357 -5.745 1.00 0.00 C ATOM 1180 O LYS A 73 -7.279 0.469 -6.066 1.00 0.00 O ATOM 1181 CB LYS A 73 -4.085 0.684 -5.589 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.383 -0.802 -5.445 1.00 0.00 C ATOM 1183 CD LYS A 73 -3.271 -1.518 -4.693 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.557 -3.008 -4.568 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.488 -3.718 -3.814 1.00 0.00 N1+ ATOM 0 H LYS A 73 -4.123 3.203 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.189 1.020 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.108 0.803 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.018 1.127 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.327 -0.936 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.503 -1.248 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.324 -1.370 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.162 -1.082 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.513 -3.153 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.650 -3.444 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.721 -4.730 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.580 -3.602 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.416 -3.319 -2.856 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.766 2.271 -4.822 1.00 0.00 N ATOM 1200 CA GLY A 74 -8.014 2.246 -4.067 1.00 0.00 C ATOM 1201 C GLY A 74 -7.832 1.547 -2.726 1.00 0.00 C ATOM 1202 O GLY A 74 -8.722 0.835 -2.261 1.00 0.00 O ATOM 0 H GLY A 74 -6.142 3.040 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.364 3.265 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.782 1.734 -4.646 1.00 0.00 H new ATOM 1371 N SER A 91 -6.919 -4.145 -8.606 1.00 0.00 N ATOM 1372 CA SER A 91 -5.482 -3.899 -8.616 1.00 0.00 C ATOM 1373 C SER A 91 -5.138 -2.672 -9.450 1.00 0.00 C ATOM 1374 O SER A 91 -6.012 -2.071 -10.077 1.00 0.00 O ATOM 1375 CB SER A 91 -4.749 -5.111 -9.159 1.00 0.00 C ATOM 1376 OG SER A 91 -4.992 -5.272 -10.529 1.00 0.00 O ATOM 0 HA SER A 91 -5.166 -3.714 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.678 -5.001 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.068 -6.004 -8.622 1.00 0.00 H new ATOM 0 HG SER A 91 -5.876 -4.911 -10.749 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.862 -2.302 -9.454 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.370 -1.254 -10.339 1.00 0.00 C ATOM 1384 C TYR A 92 -3.866 -1.460 -11.766 1.00 0.00 C ATOM 1385 O TYR A 92 -3.985 -2.592 -12.234 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.841 -1.204 -10.312 1.00 0.00 C ATOM 1387 CG TYR A 92 -1.269 -0.762 -8.983 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.672 -1.689 -8.142 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.340 0.571 -8.606 1.00 0.00 C ATOM 1390 CE1 TYR A 92 -0.150 -1.286 -6.928 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.817 0.975 -7.393 1.00 0.00 C ATOM 1392 CZ TYR A 92 -0.225 0.052 -6.556 1.00 0.00 C ATOM 1393 OH TYR A 92 0.296 0.454 -5.347 1.00 0.00 O ATOM 0 H TYR A 92 -3.149 -2.714 -8.852 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.760 -0.302 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.450 -2.192 -10.555 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.495 -0.524 -11.090 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.615 -2.727 -8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.804 1.293 -9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.314 -2.007 -6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.872 2.013 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 92 1.049 -0.125 -5.107 1.00 0.00 H new ATOM 1403 N THR A 93 -4.153 -0.358 -12.451 1.00 0.00 N ATOM 1404 CA THR A 93 -4.684 -0.418 -13.808 1.00 0.00 C ATOM 1405 C THR A 93 -3.600 -0.799 -14.807 1.00 0.00 C ATOM 1406 O THR A 93 -3.183 0.017 -15.627 1.00 0.00 O ATOM 1407 CB THR A 93 -5.313 0.927 -14.216 1.00 0.00 C ATOM 1408 OG1 THR A 93 -5.942 0.794 -15.497 1.00 0.00 O ATOM 1409 CG2 THR A 93 -4.251 2.013 -14.286 1.00 0.00 C ATOM 0 H THR A 93 -4.027 0.587 -12.089 1.00 0.00 H new ATOM 0 HA THR A 93 -5.457 -1.187 -13.819 1.00 0.00 H new ATOM 0 HB THR A 93 -6.054 1.207 -13.467 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.343 1.650 -15.755 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.714 2.956 -14.576 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.780 2.125 -13.309 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.497 1.737 -15.023 1.00 0.00 H new ATOM 1486 N HIS A 99 3.967 0.508 -22.513 1.00 0.00 N ATOM 1487 CA HIS A 99 4.954 -0.265 -23.257 1.00 0.00 C ATOM 1488 C HIS A 99 4.713 -0.166 -24.759 1.00 0.00 C ATOM 1489 O HIS A 99 5.598 -0.468 -25.560 1.00 0.00 O ATOM 1490 CB HIS A 99 4.929 -1.734 -22.826 1.00 0.00 C ATOM 1491 CG HIS A 99 5.971 -2.575 -23.494 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.321 -2.400 -23.275 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.862 -3.597 -24.377 1.00 0.00 C ATOM 1494 CE1 HIS A 99 7.999 -3.279 -23.994 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.136 -4.015 -24.671 1.00 0.00 N ATOM 0 HA HIS A 99 5.935 0.155 -23.034 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.068 -1.789 -21.746 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.945 -2.150 -23.043 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.945 -4.006 -24.775 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.074 -3.378 -24.023 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.378 -4.773 -25.310 1.00 0.00 H new ATOM 1502 N ALA A 100 3.511 0.257 -25.133 1.00 0.00 N ATOM 1503 CA ALA A 100 3.222 0.618 -26.515 1.00 0.00 C ATOM 1504 C ALA A 100 3.712 2.025 -26.831 1.00 0.00 C ATOM 1505 O ALA A 100 4.241 2.280 -27.914 1.00 0.00 O ATOM 1506 CB ALA A 100 1.730 0.503 -26.792 1.00 0.00 C ATOM 0 H ALA A 100 2.720 0.358 -24.497 1.00 0.00 H new ATOM 0 HA ALA A 100 3.755 -0.078 -27.163 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.530 0.776 -27.828 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.406 -0.523 -26.618 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.184 1.174 -26.128 1.00 0.00 H new ATOM 1512 N MET A 101 3.535 2.936 -25.880 1.00 0.00 N ATOM 1513 CA MET A 101 4.179 4.242 -25.940 1.00 0.00 C ATOM 1514 C MET A 101 5.696 4.107 -25.977 1.00 0.00 C ATOM 1515 O MET A 101 6.367 4.758 -26.778 1.00 0.00 O ATOM 1516 CB MET A 101 3.750 5.098 -24.750 1.00 0.00 C ATOM 1517 CG MET A 101 2.290 5.529 -24.779 1.00 0.00 C ATOM 1518 SD MET A 101 1.740 6.225 -23.208 1.00 0.00 S ATOM 1519 CE MET A 101 2.755 7.697 -23.117 1.00 0.00 C ATOM 0 H MET A 101 2.950 2.793 -25.057 1.00 0.00 H new ATOM 0 HA MET A 101 3.863 4.733 -26.861 1.00 0.00 H new ATOM 0 HB2 MET A 101 3.933 4.540 -23.832 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.378 5.988 -24.713 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.149 6.267 -25.568 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.667 4.671 -25.030 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.298 8.412 -22.433 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.748 7.432 -22.755 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.838 8.144 -24.108 1.00 0.00 H new ATOM 1529 N PHE A 102 6.231 3.257 -25.107 1.00 0.00 N ATOM 1530 CA PHE A 102 7.653 2.940 -25.123 1.00 0.00 C ATOM 1531 C PHE A 102 8.084 2.405 -26.482 1.00 0.00 C ATOM 1532 O PHE A 102 9.066 2.871 -27.061 1.00 0.00 O ATOM 1533 CB PHE A 102 7.984 1.913 -24.037 1.00 0.00 C ATOM 1534 CG PHE A 102 9.408 1.436 -24.067 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.445 2.283 -23.712 1.00 0.00 C ATOM 1536 CD2 PHE A 102 9.713 0.138 -24.452 1.00 0.00 C ATOM 1537 CE1 PHE A 102 11.757 1.845 -23.738 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.021 -0.302 -24.478 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.044 0.554 -24.122 1.00 0.00 C ATOM 0 H PHE A 102 5.700 2.775 -24.382 1.00 0.00 H new ATOM 0 HA PHE A 102 8.199 3.862 -24.926 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.778 2.352 -23.061 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.321 1.055 -24.147 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.227 3.297 -23.411 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.918 -0.536 -24.735 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.556 2.515 -23.457 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.244 -1.316 -24.777 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.068 0.212 -24.145 1.00 0.00 H new ATOM 1549 N ALA A 103 7.345 1.424 -26.987 1.00 0.00 N ATOM 1550 CA ALA A 103 7.607 0.870 -28.311 1.00 0.00 C ATOM 1551 C ALA A 103 7.629 1.963 -29.371 1.00 0.00 C ATOM 1552 O ALA A 103 8.389 1.889 -30.338 1.00 0.00 O ATOM 1553 CB ALA A 103 6.568 -0.185 -28.659 1.00 0.00 C ATOM 0 H ALA A 103 6.559 0.995 -26.499 1.00 0.00 H new ATOM 0 HA ALA A 103 8.591 0.401 -28.291 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.777 -0.589 -29.650 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.606 -0.989 -27.924 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.576 0.266 -28.653 1.00 0.00 H new ATOM 1559 N GLU A 104 6.791 2.977 -29.185 1.00 0.00 N ATOM 1560 CA GLU A 104 6.755 4.118 -30.093 1.00 0.00 C ATOM 1561 C GLU A 104 7.945 5.040 -29.864 1.00 0.00 C ATOM 1562 O GLU A 104 8.551 5.536 -30.815 1.00 0.00 O ATOM 1563 CB GLU A 104 5.451 4.898 -29.917 1.00 0.00 C ATOM 1564 CG GLU A 104 5.310 6.102 -30.837 1.00 0.00 C ATOM 1565 CD GLU A 104 5.239 5.723 -32.290 1.00 0.00 C ATOM 1566 OE1 GLU A 104 4.908 4.598 -32.575 1.00 0.00 O ATOM 1567 OE2 GLU A 104 5.517 6.560 -33.117 1.00 0.00 O1- ATOM 0 H GLU A 104 6.127 3.032 -28.413 1.00 0.00 H new ATOM 0 HA GLU A 104 6.808 3.736 -31.112 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.612 4.224 -30.090 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.381 5.236 -28.883 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.411 6.656 -30.567 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.156 6.772 -30.682 1.00 0.00 H new ATOM 1574 N PHE A 105 8.276 5.268 -28.598 1.00 0.00 N ATOM 1575 CA PHE A 105 9.308 6.233 -28.237 1.00 0.00 C ATOM 1576 C PHE A 105 10.698 5.704 -28.567 1.00 0.00 C ATOM 1577 O PHE A 105 11.446 6.324 -29.323 1.00 0.00 O ATOM 1578 CB PHE A 105 9.226 6.572 -26.748 1.00 0.00 C ATOM 1579 CG PHE A 105 7.972 7.302 -26.361 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.187 7.920 -27.322 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.574 7.373 -25.034 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.032 8.592 -26.967 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.420 8.043 -24.677 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.649 8.653 -25.645 1.00 0.00 C ATOM 0 H PHE A 105 7.844 4.797 -27.803 1.00 0.00 H new ATOM 0 HA PHE A 105 9.135 7.136 -28.822 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.291 5.650 -26.171 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.088 7.180 -26.475 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.481 7.876 -28.360 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.173 6.899 -24.271 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.430 9.069 -27.726 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.121 8.089 -23.640 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.747 9.177 -25.367 1.00 0.00 H new ATOM 1594 N PHE A 106 11.038 4.554 -27.996 1.00 0.00 N ATOM 1595 CA PHE A 106 12.401 4.040 -28.059 1.00 0.00 C ATOM 1596 C PHE A 106 12.466 2.749 -28.863 1.00 0.00 C ATOM 1597 O PHE A 106 13.485 2.441 -29.481 1.00 0.00 O ATOM 1598 CB PHE A 106 12.947 3.799 -26.650 1.00 0.00 C ATOM 1599 CG PHE A 106 13.034 5.041 -25.812 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.067 5.320 -24.857 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.080 5.936 -25.976 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.144 6.463 -24.084 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.161 7.079 -25.205 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.191 7.343 -24.258 1.00 0.00 C ATOM 0 H PHE A 106 10.387 3.959 -27.483 1.00 0.00 H new ATOM 0 HA PHE A 106 13.015 4.789 -28.559 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.310 3.074 -26.143 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.939 3.354 -26.726 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.244 4.635 -24.716 1.00 0.00 H new ATOM 0 HD2 PHE A 106 14.841 5.737 -26.716 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.384 6.667 -23.344 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.983 7.766 -25.343 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.252 8.237 -23.655 1.00 0.00 H new ATOM 1614 N GLY A 107 11.373 1.995 -28.851 1.00 0.00 N ATOM 1615 CA GLY A 107 11.279 0.768 -29.634 1.00 0.00 C ATOM 1616 C GLY A 107 12.134 -0.337 -29.030 1.00 0.00 C ATOM 1617 O GLY A 107 12.647 -1.199 -29.745 1.00 0.00 O ATOM 0 H GLY A 107 10.538 2.212 -28.307 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.240 0.443 -29.682 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.600 0.961 -30.658 1.00 0.00 H new ATOM 1621 N GLY A 108 12.286 -0.309 -27.710 1.00 0.00 N ATOM 1622 CA GLY A 108 13.067 -1.318 -27.007 1.00 0.00 C ATOM 1623 C GLY A 108 14.544 -1.222 -27.366 1.00 0.00 C ATOM 1624 O GLY A 108 15.229 -2.237 -27.491 1.00 0.00 O ATOM 0 H GLY A 108 11.877 0.403 -27.105 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.943 -1.193 -25.931 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.693 -2.311 -27.258 1.00 0.00 H new