USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 8 LYS NZ :NH3+ -149:sc= -0.121 (180deg=-2.44!) USER MOD Set 1.2: A 79 TYR OH : rot -57:sc= 1.21 USER MOD Set 1.3: A 83 GLN : amide:sc= 0.442 X(o=1.5,f=1.8) USER MOD Set 2.1: A 31 THR OG1 : rot -120:sc= 0.279 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.697 K(o=3.5,f=-3.6) USER MOD Set 2.3: A 87 ASN : amide:sc= 2.57 K(o=3.5,f=-3.1!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0.594 K(o=1.7,f=-14!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -173:sc= 1.15 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.022) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.5 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.0085) USER MOD Single : A 24 ASN : amide:sc= 2.09 K(o=2.1,f=-11!) USER MOD Single : A 25 ASN : amide:sc= 0.713 K(o=0.71,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ -109:sc= 0.848 (180deg=-3.49!) USER MOD Single : A 39 GLN : amide:sc= 0.871 K(o=0.87,f=-0.11) USER MOD Single : A 46 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 52 TYR OH : rot -16:sc= 1.22 USER MOD Single : A 53 GLN : amide:sc= 0.481 K(o=0.48,f=-4.4!) USER MOD Single : A 56 ASN : amide:sc= 0.508 K(o=0.51,f=-0.11) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.148 (180deg=-0.164) USER MOD Single : A 81 TYR OH : rot -7:sc= 1.18 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0.192! (180deg=0.0884!) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.097 -12.126 1.947 1.00 0.00 N ATOM 24 CA LEU A 4 5.024 -11.123 2.974 1.00 0.00 C ATOM 25 C LEU A 4 6.387 -10.488 3.206 1.00 0.00 C ATOM 26 O LEU A 4 6.496 -9.269 3.269 1.00 0.00 O ATOM 27 CB LEU A 4 4.530 -11.810 4.260 1.00 0.00 C ATOM 28 CG LEU A 4 3.194 -11.208 4.662 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.061 -11.588 3.700 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.829 -11.611 6.093 1.00 0.00 C ATOM 0 HA LEU A 4 4.340 -10.329 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.426 -12.883 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.258 -11.678 5.060 1.00 0.00 H new ATOM 0 HG LEU A 4 3.311 -10.125 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.130 -11.131 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.300 -11.232 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.947 -12.672 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.869 -11.170 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.760 -12.697 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.597 -11.254 6.779 1.00 0.00 H new ATOM 31 N ALA A 5 7.419 -11.311 3.376 1.00 0.00 N ATOM 32 CA ALA A 5 8.768 -10.817 3.639 1.00 0.00 C ATOM 33 C ALA A 5 9.303 -10.062 2.423 1.00 0.00 C ATOM 34 O ALA A 5 9.808 -8.951 2.566 1.00 0.00 O ATOM 35 CB ALA A 5 9.695 -11.960 4.066 1.00 0.00 C ATOM 0 H ALA A 5 7.346 -12.328 3.336 1.00 0.00 H new ATOM 0 HA ALA A 5 8.731 -10.113 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.694 -11.567 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.308 -12.422 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.744 -12.705 3.272 1.00 0.00 H new ATOM 36 N LEU A 6 9.160 -10.621 1.221 1.00 0.00 N ATOM 37 CA LEU A 6 9.421 -9.924 -0.022 1.00 0.00 C ATOM 38 C LEU A 6 8.623 -8.620 -0.062 1.00 0.00 C ATOM 39 O LEU A 6 9.193 -7.547 -0.247 1.00 0.00 O ATOM 40 CB LEU A 6 9.091 -10.859 -1.194 1.00 0.00 C ATOM 41 CG LEU A 6 9.436 -10.223 -2.537 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.138 -11.216 -3.468 1.00 0.00 C ATOM 43 CD2 LEU A 6 8.199 -9.655 -3.239 1.00 0.00 C ATOM 0 H LEU A 6 8.855 -11.585 1.090 1.00 0.00 H new ATOM 0 HA LEU A 6 10.473 -9.651 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.642 -11.793 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.031 -11.110 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 6 10.117 -9.401 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.368 -10.727 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.062 -11.560 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.484 -12.069 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.492 -9.212 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.482 -10.456 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.742 -8.892 -2.609 1.00 0.00 H new ATOM 44 N GLY A 7 7.307 -8.702 0.150 1.00 0.00 N ATOM 45 CA GLY A 7 6.443 -7.538 0.238 1.00 0.00 C ATOM 46 C GLY A 7 7.011 -6.484 1.185 1.00 0.00 C ATOM 47 O GLY A 7 7.052 -5.301 0.858 1.00 0.00 O ATOM 0 H GLY A 7 6.814 -9.588 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.314 -7.105 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.455 -7.843 0.583 1.00 0.00 H new ATOM 48 N LYS A 8 7.484 -6.902 2.356 1.00 0.00 N ATOM 49 CA LYS A 8 8.111 -6.009 3.297 1.00 0.00 C ATOM 50 C LYS A 8 9.367 -5.387 2.684 1.00 0.00 C ATOM 51 O LYS A 8 9.487 -4.170 2.645 1.00 0.00 O ATOM 52 CB LYS A 8 8.396 -6.735 4.616 1.00 0.00 C ATOM 53 CG LYS A 8 9.023 -5.701 5.540 1.00 0.00 C ATOM 54 CD LYS A 8 9.148 -6.159 6.987 1.00 0.00 C ATOM 55 CE LYS A 8 10.083 -5.196 7.745 1.00 0.00 C ATOM 56 NZ LYS A 8 9.725 -3.771 7.548 1.00 0.00 N ATOM 0 H LYS A 8 7.438 -7.872 2.669 1.00 0.00 H new ATOM 0 HA LYS A 8 7.429 -5.190 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.478 -7.136 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.070 -7.577 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.014 -5.445 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.425 -4.790 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.166 -6.180 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.542 -7.174 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.052 -5.430 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.109 -5.357 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.585 -3.187 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.276 -3.651 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.063 -3.473 8.293 1.00 0.00 H new ATOM 57 N ALA A 9 10.310 -6.207 2.226 1.00 0.00 N ATOM 58 CA ALA A 9 11.530 -5.740 1.571 1.00 0.00 C ATOM 59 C ALA A 9 11.226 -4.650 0.536 1.00 0.00 C ATOM 60 O ALA A 9 11.870 -3.601 0.526 1.00 0.00 O ATOM 61 CB ALA A 9 12.272 -6.916 0.933 1.00 0.00 C ATOM 0 H ALA A 9 10.249 -7.222 2.299 1.00 0.00 H new ATOM 0 HA ALA A 9 12.175 -5.296 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.179 -6.554 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.536 -7.640 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.630 -7.392 0.192 1.00 0.00 H new ATOM 62 N VAL A 10 10.221 -4.879 -0.313 1.00 0.00 N ATOM 63 CA VAL A 10 9.737 -3.881 -1.248 1.00 0.00 C ATOM 64 C VAL A 10 9.271 -2.642 -0.483 1.00 0.00 C ATOM 65 O VAL A 10 9.745 -1.542 -0.766 1.00 0.00 O ATOM 66 CB VAL A 10 8.609 -4.485 -2.098 1.00 0.00 C ATOM 67 CG1 VAL A 10 8.006 -3.447 -3.046 1.00 0.00 C ATOM 68 CG2 VAL A 10 9.086 -5.667 -2.943 1.00 0.00 C ATOM 0 H VAL A 10 9.723 -5.768 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 10 10.538 -3.573 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 10 7.859 -4.829 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.211 -3.908 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.596 -2.620 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.780 -3.073 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.252 -6.058 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.876 -5.337 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.471 -6.450 -2.289 1.00 0.00 H new ATOM 69 N PHE A 11 8.344 -2.817 0.464 1.00 0.00 N ATOM 70 CA PHE A 11 7.761 -1.745 1.261 1.00 0.00 C ATOM 71 C PHE A 11 8.827 -0.808 1.819 1.00 0.00 C ATOM 72 O PHE A 11 8.843 0.390 1.534 1.00 0.00 O ATOM 73 CB PHE A 11 6.903 -2.324 2.391 1.00 0.00 C ATOM 74 CG PHE A 11 6.120 -1.275 3.150 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.883 -0.836 2.649 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.682 -0.651 4.280 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.241 0.266 3.235 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.023 0.435 4.884 1.00 0.00 C ATOM 79 CZ PHE A 11 4.807 0.901 4.354 1.00 0.00 C ATOM 0 H PHE A 11 7.971 -3.737 0.700 1.00 0.00 H new ATOM 0 HA PHE A 11 7.123 -1.155 0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.209 -3.053 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.547 -2.861 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.426 -1.346 1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.619 -1.006 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.309 0.627 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.451 0.911 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.308 1.746 4.806 1.00 0.00 H new ATOM 80 N ASP A 12 9.724 -1.382 2.614 1.00 0.00 N ATOM 81 CA ASP A 12 10.808 -0.706 3.288 1.00 0.00 C ATOM 82 C ASP A 12 11.657 0.113 2.307 1.00 0.00 C ATOM 83 O ASP A 12 12.169 1.164 2.686 1.00 0.00 O ATOM 84 CB ASP A 12 11.630 -1.756 4.049 1.00 0.00 C ATOM 85 CG ASP A 12 10.911 -2.294 5.283 1.00 0.00 C ATOM 86 OD1 ASP A 12 9.729 -2.692 5.178 1.00 0.00 O ATOM 87 OD2 ASP A 12 11.522 -2.361 6.373 1.00 0.00 O ATOM 0 H ASP A 12 9.707 -2.383 2.810 1.00 0.00 H new ATOM 0 HA ASP A 12 10.412 0.017 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.861 -2.584 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.580 -1.316 4.351 1.00 0.00 H new ATOM 88 N GLY A 13 11.804 -0.335 1.053 1.00 0.00 N ATOM 89 CA GLY A 13 12.576 0.395 0.059 1.00 0.00 C ATOM 90 C GLY A 13 11.740 1.477 -0.624 1.00 0.00 C ATOM 91 O GLY A 13 12.199 2.603 -0.807 1.00 0.00 O ATOM 0 H GLY A 13 11.394 -1.203 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.443 0.852 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.954 -0.300 -0.691 1.00 0.00 H new ATOM 92 N ASN A 14 10.533 1.114 -1.062 1.00 0.00 N ATOM 93 CA ASN A 14 9.780 1.850 -2.074 1.00 0.00 C ATOM 94 C ASN A 14 8.689 2.721 -1.462 1.00 0.00 C ATOM 95 O ASN A 14 8.368 3.782 -1.994 1.00 0.00 O ATOM 96 CB ASN A 14 9.129 0.875 -3.065 1.00 0.00 C ATOM 97 CG ASN A 14 10.148 0.125 -3.913 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.443 0.522 -5.035 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.689 -0.970 -3.389 1.00 0.00 N ATOM 0 H ASN A 14 10.045 0.287 -0.717 1.00 0.00 H new ATOM 0 HA ASN A 14 10.492 2.497 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.522 0.156 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.454 1.427 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.372 -1.507 -3.923 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.422 -1.273 -2.452 1.00 0.00 H new ATOM 100 N CYS A 15 8.060 2.228 -0.396 1.00 0.00 N ATOM 101 CA CYS A 15 6.783 2.716 0.101 1.00 0.00 C ATOM 102 C CYS A 15 7.010 3.523 1.374 1.00 0.00 C ATOM 103 O CYS A 15 6.477 4.622 1.527 1.00 0.00 O ATOM 104 CB CYS A 15 5.866 1.551 0.375 1.00 0.00 C ATOM 105 SG CYS A 15 5.762 0.346 -0.983 1.00 0.00 S ATOM 0 H CYS A 15 8.438 1.459 0.157 1.00 0.00 H new ATOM 0 HA CYS A 15 6.319 3.358 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.207 1.039 1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.866 1.932 0.585 1.00 0.00 H new ATOM 0 HG CYS A 15 4.953 -0.615 -0.649 1.00 0.00 H new ATOM 106 N ALA A 16 7.835 2.984 2.278 1.00 0.00 N ATOM 107 CA ALA A 16 8.190 3.611 3.546 1.00 0.00 C ATOM 108 C ALA A 16 8.616 5.072 3.367 1.00 0.00 C ATOM 109 O ALA A 16 8.337 5.903 4.228 1.00 0.00 O ATOM 110 CB ALA A 16 9.291 2.797 4.227 1.00 0.00 C ATOM 0 H ALA A 16 8.283 2.078 2.141 1.00 0.00 H new ATOM 0 HA ALA A 16 7.304 3.621 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.557 3.265 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.934 1.784 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.169 2.761 3.582 1.00 0.00 H new ATOM 111 N ALA A 17 9.250 5.383 2.229 1.00 0.00 N ATOM 112 CA ALA A 17 9.563 6.740 1.793 1.00 0.00 C ATOM 113 C ALA A 17 8.425 7.725 2.087 1.00 0.00 C ATOM 114 O ALA A 17 8.680 8.820 2.585 1.00 0.00 O ATOM 115 CB ALA A 17 9.875 6.727 0.293 1.00 0.00 C ATOM 0 H ALA A 17 9.567 4.672 1.570 1.00 0.00 H new ATOM 0 HA ALA A 17 10.431 7.081 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.110 7.738 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.729 6.076 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.009 6.357 -0.256 1.00 0.00 H new ATOM 116 N CYS A 18 7.184 7.342 1.768 1.00 0.00 N ATOM 117 CA CYS A 18 5.995 8.153 2.006 1.00 0.00 C ATOM 118 C CYS A 18 5.160 7.591 3.157 1.00 0.00 C ATOM 119 O CYS A 18 4.361 8.335 3.720 1.00 0.00 O ATOM 120 CB CYS A 18 5.167 8.260 0.749 1.00 0.00 C ATOM 121 SG CYS A 18 6.053 9.222 -0.510 1.00 0.00 S ATOM 0 H CYS A 18 6.979 6.444 1.330 1.00 0.00 H new ATOM 0 HA CYS A 18 6.323 9.153 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.945 7.264 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.212 8.735 0.974 1.00 0.00 H new ATOM 0 HG CYS A 18 5.327 9.302 -1.585 1.00 0.00 H new ATOM 122 N HIS A 19 5.304 6.304 3.496 1.00 0.00 N ATOM 123 CA HIS A 19 4.428 5.613 4.439 1.00 0.00 C ATOM 124 C HIS A 19 5.171 4.942 5.598 1.00 0.00 C ATOM 125 O HIS A 19 4.693 3.934 6.113 1.00 0.00 O ATOM 126 CB HIS A 19 3.611 4.572 3.665 1.00 0.00 C ATOM 127 CG HIS A 19 2.738 5.159 2.591 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.638 5.953 2.809 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.764 4.833 1.263 1.00 0.00 C ATOM 130 CE1 HIS A 19 1.007 6.090 1.631 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.650 5.423 0.657 1.00 0.00 N ATOM 0 H HIS A 19 6.041 5.710 3.117 1.00 0.00 H new ATOM 0 HA HIS A 19 3.785 6.364 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.293 3.853 3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.986 4.020 4.367 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.511 4.228 0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.102 6.661 1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.380 5.360 -0.325 1.00 0.00 H new ATOM 132 N ALA A 20 6.306 5.473 6.057 1.00 0.00 N ATOM 133 CA ALA A 20 6.969 4.977 7.264 1.00 0.00 C ATOM 134 C ALA A 20 5.951 4.776 8.402 1.00 0.00 C ATOM 135 O ALA A 20 5.201 5.693 8.721 1.00 0.00 O ATOM 136 CB ALA A 20 8.068 5.957 7.684 1.00 0.00 C ATOM 0 H ALA A 20 6.788 6.252 5.607 1.00 0.00 H new ATOM 0 HA ALA A 20 7.421 4.009 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.561 5.587 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.799 6.050 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.627 6.933 7.888 1.00 0.00 H new ATOM 137 N GLY A 21 5.862 3.564 8.962 1.00 0.00 N ATOM 138 CA GLY A 21 4.853 3.217 9.966 1.00 0.00 C ATOM 139 C GLY A 21 3.421 3.367 9.433 1.00 0.00 C ATOM 140 O GLY A 21 2.510 3.757 10.159 1.00 0.00 O ATOM 0 H GLY A 21 6.490 2.795 8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.010 2.190 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.981 3.854 10.841 1.00 0.00 H new ATOM 141 N GLY A 22 3.220 3.090 8.143 1.00 0.00 N ATOM 142 CA GLY A 22 1.971 3.341 7.441 1.00 0.00 C ATOM 143 C GLY A 22 1.679 4.836 7.283 1.00 0.00 C ATOM 144 O GLY A 22 0.578 5.212 6.880 1.00 0.00 O ATOM 0 H GLY A 22 3.939 2.676 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.011 2.876 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.152 2.869 7.983 1.00 0.00 H new ATOM 145 N GLY A 23 2.639 5.702 7.614 1.00 0.00 N ATOM 146 CA GLY A 23 2.372 7.089 7.949 1.00 0.00 C ATOM 147 C GLY A 23 2.531 7.995 6.743 1.00 0.00 C ATOM 148 O GLY A 23 3.577 8.613 6.574 1.00 0.00 O ATOM 0 H GLY A 23 3.627 5.452 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.360 7.180 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.051 7.411 8.738 1.00 0.00 H new ATOM 149 N ASN A 24 1.475 8.067 5.927 1.00 0.00 N ATOM 150 CA ASN A 24 1.367 8.957 4.776 1.00 0.00 C ATOM 151 C ASN A 24 1.940 10.352 5.057 1.00 0.00 C ATOM 152 O ASN A 24 1.305 11.158 5.730 1.00 0.00 O ATOM 153 CB ASN A 24 -0.089 9.062 4.351 1.00 0.00 C ATOM 154 CG ASN A 24 -0.185 9.665 2.959 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.548 10.578 2.584 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.055 9.085 2.153 1.00 0.00 N ATOM 0 H ASN A 24 0.646 7.486 6.057 1.00 0.00 H new ATOM 0 HA ASN A 24 1.961 8.528 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.551 8.075 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.640 9.678 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.135 9.392 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.647 8.330 2.500 1.00 0.00 H new ATOM 157 N ASN A 25 3.118 10.655 4.516 1.00 0.00 N ATOM 158 CA ASN A 25 3.818 11.917 4.732 1.00 0.00 C ATOM 159 C ASN A 25 3.312 13.007 3.776 1.00 0.00 C ATOM 160 O ASN A 25 3.689 14.167 3.919 1.00 0.00 O ATOM 161 CB ASN A 25 5.331 11.665 4.589 1.00 0.00 C ATOM 162 CG ASN A 25 6.227 12.701 5.278 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.987 12.360 6.178 1.00 0.00 O ATOM 164 ND2 ASN A 25 6.192 13.962 4.864 1.00 0.00 N ATOM 0 H ASN A 25 3.622 10.015 3.902 1.00 0.00 H new ATOM 0 HA ASN A 25 3.617 12.288 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.560 10.680 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.581 11.638 3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.801 14.657 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.556 14.235 4.115 1.00 0.00 H new ATOM 165 N VAL A 26 2.474 12.666 2.791 1.00 0.00 N ATOM 166 CA VAL A 26 1.973 13.627 1.815 1.00 0.00 C ATOM 167 C VAL A 26 0.612 14.155 2.277 1.00 0.00 C ATOM 168 O VAL A 26 0.420 15.363 2.389 1.00 0.00 O ATOM 169 CB VAL A 26 1.926 12.974 0.424 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.441 13.967 -0.640 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.320 12.475 0.016 1.00 0.00 C ATOM 0 H VAL A 26 2.127 11.717 2.652 1.00 0.00 H new ATOM 0 HA VAL A 26 2.641 14.485 1.738 1.00 0.00 H new ATOM 0 HB VAL A 26 1.230 12.138 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.419 13.476 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.439 14.313 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.120 14.819 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.268 12.016 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.014 13.315 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.669 11.739 0.740 1.00 0.00 H new ATOM 172 N ILE A 27 -0.327 13.246 2.552 1.00 0.00 N ATOM 173 CA ILE A 27 -1.645 13.538 3.098 1.00 0.00 C ATOM 174 C ILE A 27 -1.724 12.847 4.469 1.00 0.00 C ATOM 175 O ILE A 27 -2.089 11.672 4.519 1.00 0.00 O ATOM 176 CB ILE A 27 -2.743 13.055 2.125 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.535 13.691 0.737 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.130 13.415 2.680 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.643 13.353 -0.265 1.00 0.00 C ATOM 0 H ILE A 27 -0.179 12.249 2.392 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.804 14.609 3.224 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.679 11.972 2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.475 14.774 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.578 13.358 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.899 13.071 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.271 12.934 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.205 14.496 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.430 13.835 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.689 12.273 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.600 13.710 0.116 1.00 0.00 H new ATOM 180 N PRO A 28 -1.383 13.549 5.567 1.00 0.00 N ATOM 181 CA PRO A 28 -1.228 12.999 6.912 1.00 0.00 C ATOM 182 C PRO A 28 -2.261 11.950 7.327 1.00 0.00 C ATOM 183 O PRO A 28 -1.912 10.948 7.946 1.00 0.00 O ATOM 184 CB PRO A 28 -1.256 14.210 7.846 1.00 0.00 C ATOM 185 CG PRO A 28 -0.561 15.274 7.001 1.00 0.00 C ATOM 186 CD PRO A 28 -1.073 14.973 5.592 1.00 0.00 C ATOM 0 HA PRO A 28 -0.295 12.437 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.273 14.499 8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.726 14.019 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.826 16.282 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.524 15.195 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.957 15.568 5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.321 15.221 4.843 1.00 0.00 H new ATOM 187 N ASP A 29 -3.533 12.204 7.019 1.00 0.00 N ATOM 188 CA ASP A 29 -4.653 11.394 7.478 1.00 0.00 C ATOM 189 C ASP A 29 -4.850 10.138 6.617 1.00 0.00 C ATOM 190 O ASP A 29 -5.354 9.118 7.089 1.00 0.00 O ATOM 191 CB ASP A 29 -5.898 12.289 7.485 1.00 0.00 C ATOM 192 CG ASP A 29 -7.086 11.641 8.180 1.00 0.00 C ATOM 193 OD1 ASP A 29 -6.862 10.980 9.216 1.00 0.00 O ATOM 194 OD2 ASP A 29 -8.209 11.865 7.685 1.00 0.00 O ATOM 0 H ASP A 29 -3.815 12.991 6.435 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.455 11.023 8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.661 13.230 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.171 12.531 6.458 1.00 0.00 H new ATOM 195 N HIS A 30 -4.420 10.167 5.351 1.00 0.00 N ATOM 196 CA HIS A 30 -4.689 9.101 4.389 1.00 0.00 C ATOM 197 C HIS A 30 -3.638 7.988 4.551 1.00 0.00 C ATOM 198 O HIS A 30 -2.942 7.623 3.600 1.00 0.00 O ATOM 199 CB HIS A 30 -4.758 9.741 2.989 1.00 0.00 C ATOM 200 CG HIS A 30 -5.490 8.963 1.918 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.454 7.605 1.722 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.230 9.495 0.892 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.126 7.335 0.590 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.612 8.457 0.036 1.00 0.00 N ATOM 0 H HIS A 30 -3.873 10.937 4.966 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.647 8.609 4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.234 10.717 3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.739 9.916 2.645 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.998 6.922 2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.476 10.539 0.767 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.258 6.345 0.180 1.00 0.00 H new ATOM 205 N THR A 31 -3.489 7.493 5.787 1.00 0.00 N ATOM 206 CA THR A 31 -2.468 6.529 6.183 1.00 0.00 C ATOM 207 C THR A 31 -2.794 5.128 5.675 1.00 0.00 C ATOM 208 O THR A 31 -3.895 4.864 5.209 1.00 0.00 O ATOM 209 CB THR A 31 -2.332 6.478 7.713 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.458 5.833 8.275 1.00 0.00 O ATOM 211 CG2 THR A 31 -2.089 7.848 8.350 1.00 0.00 C ATOM 0 H THR A 31 -4.098 7.765 6.559 1.00 0.00 H new ATOM 0 HA THR A 31 -1.530 6.860 5.738 1.00 0.00 H new ATOM 0 HB THR A 31 -1.438 5.896 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.916 6.448 8.886 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.003 7.737 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.167 8.275 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.924 8.510 8.119 1.00 0.00 H new ATOM 212 N LEU A 32 -1.870 4.190 5.882 1.00 0.00 N ATOM 213 CA LEU A 32 -2.135 2.780 5.655 1.00 0.00 C ATOM 214 C LEU A 32 -2.785 2.122 6.886 1.00 0.00 C ATOM 215 O LEU A 32 -2.693 0.902 7.037 1.00 0.00 O ATOM 216 CB LEU A 32 -0.835 2.065 5.262 1.00 0.00 C ATOM 217 CG LEU A 32 -0.007 2.774 4.177 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.136 1.858 3.734 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.833 3.116 2.939 1.00 0.00 C ATOM 0 H LEU A 32 -0.925 4.390 6.209 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.847 2.689 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.217 1.950 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.081 1.062 4.913 1.00 0.00 H new ATOM 0 HG LEU A 32 0.362 3.701 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.725 2.357 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.773 1.631 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.725 0.932 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.200 3.615 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.237 2.201 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.653 3.777 3.220 1.00 0.00 H new ATOM 220 N GLN A 33 -3.437 2.881 7.783 1.00 0.00 N ATOM 221 CA GLN A 33 -4.211 2.243 8.841 1.00 0.00 C ATOM 222 C GLN A 33 -5.400 1.516 8.224 1.00 0.00 C ATOM 223 O GLN A 33 -5.924 1.941 7.192 1.00 0.00 O ATOM 224 CB GLN A 33 -4.763 3.236 9.870 1.00 0.00 C ATOM 225 CG GLN A 33 -3.776 3.903 10.834 1.00 0.00 C ATOM 226 CD GLN A 33 -2.410 3.239 10.971 1.00 0.00 C ATOM 227 OE1 GLN A 33 -2.167 2.523 11.936 1.00 0.00 O ATOM 228 NE2 GLN A 33 -1.500 3.484 10.034 1.00 0.00 N ATOM 0 H GLN A 33 -3.441 3.901 7.793 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.530 1.563 9.354 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.282 4.025 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.511 2.715 10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.625 4.933 10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.237 3.944 11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.732 4.084 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.570 3.072 10.106 1.00 0.00 H new ATOM 229 N LYS A 34 -5.886 0.475 8.906 1.00 0.00 N ATOM 230 CA LYS A 34 -7.050 -0.262 8.444 1.00 0.00 C ATOM 231 C LYS A 34 -8.199 0.708 8.182 1.00 0.00 C ATOM 232 O LYS A 34 -8.699 0.829 7.067 1.00 0.00 O ATOM 233 CB LYS A 34 -7.441 -1.290 9.499 1.00 0.00 C ATOM 234 CG LYS A 34 -8.581 -2.145 8.950 1.00 0.00 C ATOM 235 CD LYS A 34 -8.962 -3.173 10.004 1.00 0.00 C ATOM 236 CE LYS A 34 -10.147 -4.020 9.512 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.405 -3.246 9.407 1.00 0.00 N ATOM 0 H LYS A 34 -5.487 0.129 9.779 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.819 -0.781 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.586 -1.917 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.751 -0.790 10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.439 -1.520 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.273 -2.642 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.110 -3.817 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.226 -2.671 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.904 -4.443 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.297 -4.857 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.060 -3.545 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.198 -2.232 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.841 -3.417 8.479 1.00 0.00 H new ATOM 238 N ALA A 35 -8.581 1.423 9.240 1.00 0.00 N ATOM 239 CA ALA A 35 -9.660 2.393 9.211 1.00 0.00 C ATOM 240 C ALA A 35 -9.504 3.376 8.048 1.00 0.00 C ATOM 241 O ALA A 35 -10.497 3.751 7.433 1.00 0.00 O ATOM 242 CB ALA A 35 -9.702 3.142 10.544 1.00 0.00 C ATOM 0 H ALA A 35 -8.137 1.338 10.155 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.599 1.861 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.511 3.872 10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.871 2.433 11.355 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.754 3.656 10.703 1.00 0.00 H new ATOM 243 N ALA A 36 -8.268 3.797 7.757 1.00 0.00 N ATOM 244 CA ALA A 36 -7.993 4.865 6.806 1.00 0.00 C ATOM 245 C ALA A 36 -8.196 4.339 5.391 1.00 0.00 C ATOM 246 O ALA A 36 -8.871 4.982 4.587 1.00 0.00 O ATOM 247 CB ALA A 36 -6.577 5.402 7.015 1.00 0.00 C ATOM 0 H ALA A 36 -7.429 3.400 8.181 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.682 5.695 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.381 6.200 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.482 5.792 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.857 4.597 6.867 1.00 0.00 H new ATOM 248 N ILE A 37 -7.715 3.117 5.142 1.00 0.00 N ATOM 249 CA ILE A 37 -8.129 2.375 3.966 1.00 0.00 C ATOM 250 C ILE A 37 -9.650 2.360 3.889 1.00 0.00 C ATOM 251 O ILE A 37 -10.218 2.748 2.870 1.00 0.00 O ATOM 252 CB ILE A 37 -7.504 0.967 3.969 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.190 0.958 3.187 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.427 -0.085 3.355 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.101 0.173 3.924 1.00 0.00 C ATOM 0 H ILE A 37 -7.045 2.631 5.738 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.764 2.864 3.063 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.332 0.716 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.354 0.518 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.855 1.983 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.938 -1.059 3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.356 -0.130 3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.646 0.182 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.182 0.188 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.919 0.629 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.426 -0.858 4.062 1.00 0.00 H new ATOM 256 N GLU A 38 -10.316 1.916 4.952 1.00 0.00 N ATOM 257 CA GLU A 38 -11.746 1.716 4.892 1.00 0.00 C ATOM 258 C GLU A 38 -12.507 3.016 4.596 1.00 0.00 C ATOM 259 O GLU A 38 -13.518 2.971 3.900 1.00 0.00 O ATOM 260 CB GLU A 38 -12.218 0.979 6.150 1.00 0.00 C ATOM 261 CG GLU A 38 -11.639 -0.443 6.098 1.00 0.00 C ATOM 262 CD GLU A 38 -11.967 -1.308 7.302 1.00 0.00 C ATOM 263 OE1 GLU A 38 -11.757 -0.856 8.451 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.285 -2.502 7.108 1.00 0.00 O ATOM 0 H GLU A 38 -9.888 1.693 5.850 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.982 1.076 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.880 1.498 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.307 0.948 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.009 -0.938 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.555 -0.376 6.001 1.00 0.00 H new ATOM 265 N GLN A 39 -12.034 4.169 5.084 1.00 0.00 N ATOM 266 CA GLN A 39 -12.598 5.446 4.693 1.00 0.00 C ATOM 267 C GLN A 39 -12.275 5.781 3.232 1.00 0.00 C ATOM 268 O GLN A 39 -13.180 6.039 2.440 1.00 0.00 O ATOM 269 CB GLN A 39 -12.078 6.563 5.605 1.00 0.00 C ATOM 270 CG GLN A 39 -12.246 6.353 7.115 1.00 0.00 C ATOM 271 CD GLN A 39 -13.456 5.514 7.514 1.00 0.00 C ATOM 272 OE1 GLN A 39 -14.582 5.999 7.538 1.00 0.00 O ATOM 273 NE2 GLN A 39 -13.232 4.248 7.855 1.00 0.00 N ATOM 0 H GLN A 39 -11.263 4.234 5.749 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.681 5.370 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.018 6.706 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.584 7.489 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.346 5.875 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.323 7.328 7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.284 3.872 7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.008 3.653 8.146 1.00 0.00 H new ATOM 274 N PHE A 40 -10.985 5.873 2.895 1.00 0.00 N ATOM 275 CA PHE A 40 -10.538 6.556 1.687 1.00 0.00 C ATOM 276 C PHE A 40 -10.530 5.644 0.462 1.00 0.00 C ATOM 277 O PHE A 40 -10.825 6.102 -0.642 1.00 0.00 O ATOM 278 CB PHE A 40 -9.171 7.207 1.935 1.00 0.00 C ATOM 279 CG PHE A 40 -9.176 8.213 3.069 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.035 9.326 3.007 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.372 8.014 4.205 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.150 10.191 4.107 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.483 8.883 5.306 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.388 9.957 5.263 1.00 0.00 C ATOM 0 H PHE A 40 -10.228 5.477 3.452 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.259 7.340 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.441 6.428 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.843 7.703 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.607 9.515 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.669 7.194 4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.823 11.035 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.873 8.725 6.183 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.498 10.604 6.121 1.00 0.00 H new ATOM 285 N LEU A 41 -10.172 4.371 0.624 1.00 0.00 N ATOM 286 CA LEU A 41 -10.192 3.406 -0.451 1.00 0.00 C ATOM 287 C LEU A 41 -11.618 3.032 -0.857 1.00 0.00 C ATOM 288 O LEU A 41 -12.276 2.235 -0.190 1.00 0.00 O ATOM 289 CB LEU A 41 -9.346 2.196 -0.054 1.00 0.00 C ATOM 290 CG LEU A 41 -8.490 1.748 -1.237 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.385 2.775 -1.520 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.814 0.451 -0.823 1.00 0.00 C ATOM 0 H LEU A 41 -9.859 3.987 1.516 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.751 3.851 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.708 2.450 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.992 1.380 0.268 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.112 1.636 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.785 2.440 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.836 3.739 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.749 2.876 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.189 0.090 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.196 0.628 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.572 -0.296 -0.589 1.00 0.00 H new ATOM 293 N ASP A 42 -12.052 3.569 -1.997 1.00 0.00 N ATOM 294 CA ASP A 42 -13.198 3.121 -2.781 1.00 0.00 C ATOM 295 C ASP A 42 -13.410 1.602 -2.705 1.00 0.00 C ATOM 296 O ASP A 42 -14.505 1.141 -2.389 1.00 0.00 O ATOM 297 CB ASP A 42 -13.039 3.607 -4.238 1.00 0.00 C ATOM 298 CG ASP A 42 -11.761 3.167 -4.959 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.879 2.575 -4.298 1.00 0.00 O ATOM 300 OD2 ASP A 42 -11.668 3.457 -6.171 1.00 0.00 O ATOM 0 H ASP A 42 -11.586 4.372 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 42 -14.098 3.562 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.896 3.255 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.078 4.696 -4.243 1.00 0.00 H new ATOM 301 N GLY A 43 -12.366 0.823 -2.989 1.00 0.00 N ATOM 302 CA GLY A 43 -12.430 -0.630 -3.033 1.00 0.00 C ATOM 303 C GLY A 43 -12.514 -1.298 -1.654 1.00 0.00 C ATOM 304 O GLY A 43 -12.697 -2.514 -1.583 1.00 0.00 O ATOM 0 H GLY A 43 -11.439 1.194 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.298 -0.927 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.549 -1.006 -3.553 1.00 0.00 H new ATOM 305 N GLY A 44 -12.385 -0.548 -0.555 1.00 0.00 N ATOM 306 CA GLY A 44 -12.505 -1.080 0.790 1.00 0.00 C ATOM 307 C GLY A 44 -11.276 -1.891 1.190 1.00 0.00 C ATOM 308 O GLY A 44 -10.302 -2.006 0.445 1.00 0.00 O ATOM 0 H GLY A 44 -12.193 0.453 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.644 -0.260 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.393 -1.709 0.854 1.00 0.00 H new ATOM 309 N PHE A 45 -11.323 -2.459 2.395 1.00 0.00 N ATOM 310 CA PHE A 45 -10.242 -3.275 2.939 1.00 0.00 C ATOM 311 C PHE A 45 -10.186 -4.636 2.234 1.00 0.00 C ATOM 312 O PHE A 45 -10.499 -5.665 2.833 1.00 0.00 O ATOM 313 CB PHE A 45 -10.364 -3.402 4.466 1.00 0.00 C ATOM 314 CG PHE A 45 -9.122 -3.935 5.153 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.013 -3.089 5.331 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.047 -5.274 5.579 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.787 -3.612 5.766 1.00 0.00 C ATOM 318 CE2 PHE A 45 -7.834 -5.786 6.072 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.689 -4.969 6.103 1.00 0.00 C ATOM 0 H PHE A 45 -12.120 -2.364 3.025 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.292 -2.777 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.602 -2.423 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.202 -4.059 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.106 -2.032 5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.920 -5.908 5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.921 -2.971 5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.781 -6.805 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.735 -5.387 6.386 1.00 0.00 H new ATOM 320 N ASN A 46 -9.767 -4.648 0.965 1.00 0.00 N ATOM 321 CA ASN A 46 -9.684 -5.848 0.129 1.00 0.00 C ATOM 322 C ASN A 46 -8.338 -5.868 -0.603 1.00 0.00 C ATOM 323 O ASN A 46 -7.754 -4.810 -0.833 1.00 0.00 O ATOM 324 CB ASN A 46 -10.862 -5.875 -0.851 1.00 0.00 C ATOM 325 CG ASN A 46 -12.207 -5.976 -0.135 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.513 -6.988 0.487 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.024 -4.929 -0.194 1.00 0.00 N ATOM 0 H ASN A 46 -9.469 -3.802 0.479 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.744 -6.743 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.845 -4.972 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.749 -6.721 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.925 -4.957 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.750 -4.097 -0.717 1.00 0.00 H new ATOM 328 N ILE A 47 -7.814 -7.048 -0.957 1.00 0.00 N ATOM 329 CA ILE A 47 -6.484 -7.164 -1.538 1.00 0.00 C ATOM 330 C ILE A 47 -6.505 -6.460 -2.889 1.00 0.00 C ATOM 331 O ILE A 47 -5.681 -5.590 -3.148 1.00 0.00 O ATOM 332 CB ILE A 47 -6.090 -8.650 -1.658 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.763 -9.276 -0.290 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.921 -8.851 -2.630 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.360 -8.931 0.220 1.00 0.00 C ATOM 0 H ILE A 47 -8.300 -7.938 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.732 -6.692 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.961 -9.166 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.499 -8.940 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.858 -10.359 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.673 -9.911 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.204 -8.491 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.053 -8.294 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.198 -9.405 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.616 -9.292 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.267 -7.850 0.325 1.00 0.00 H new ATOM 336 N GLU A 48 -7.476 -6.822 -3.723 1.00 0.00 N ATOM 337 CA GLU A 48 -7.787 -6.212 -5.003 1.00 0.00 C ATOM 338 C GLU A 48 -7.634 -4.695 -4.920 1.00 0.00 C ATOM 339 O GLU A 48 -6.856 -4.088 -5.649 1.00 0.00 O ATOM 340 CB GLU A 48 -9.212 -6.581 -5.427 1.00 0.00 C ATOM 341 CG GLU A 48 -9.649 -8.015 -5.094 1.00 0.00 C ATOM 342 CD GLU A 48 -10.205 -8.189 -3.682 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.382 -8.445 -2.771 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.430 -8.011 -3.532 1.00 0.00 O ATOM 0 H GLU A 48 -8.102 -7.597 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.089 -6.589 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.905 -5.888 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.302 -6.433 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.407 -8.328 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.796 -8.681 -5.221 1.00 0.00 H new ATOM 345 N ALA A 49 -8.391 -4.106 -3.994 1.00 0.00 N ATOM 346 CA ALA A 49 -8.382 -2.676 -3.719 1.00 0.00 C ATOM 347 C ALA A 49 -6.969 -2.157 -3.429 1.00 0.00 C ATOM 348 O ALA A 49 -6.549 -1.148 -3.998 1.00 0.00 O ATOM 349 CB ALA A 49 -9.329 -2.372 -2.560 1.00 0.00 C ATOM 0 H ALA A 49 -9.041 -4.625 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.729 -2.154 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.321 -1.301 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.339 -2.684 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.003 -2.914 -1.672 1.00 0.00 H new ATOM 350 N ILE A 50 -6.218 -2.833 -2.553 1.00 0.00 N ATOM 351 CA ILE A 50 -4.834 -2.469 -2.311 1.00 0.00 C ATOM 352 C ILE A 50 -4.052 -2.517 -3.631 1.00 0.00 C ATOM 353 O ILE A 50 -3.472 -1.511 -4.033 1.00 0.00 O ATOM 354 CB ILE A 50 -4.222 -3.358 -1.211 1.00 0.00 C ATOM 355 CG1 ILE A 50 -4.904 -3.238 0.164 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.735 -3.054 -1.068 1.00 0.00 C ATOM 357 CD1 ILE A 50 -4.960 -1.828 0.754 1.00 0.00 C ATOM 0 H ILE A 50 -6.550 -3.628 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.778 -1.446 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.385 -4.385 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.922 -3.617 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.380 -3.886 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.308 -3.685 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.230 -3.253 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.602 -2.006 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.460 -1.858 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.947 -1.446 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.513 -1.173 0.080 1.00 0.00 H new ATOM 358 N VAL A 51 -4.025 -3.666 -4.315 1.00 0.00 N ATOM 359 CA VAL A 51 -3.253 -3.845 -5.527 1.00 0.00 C ATOM 360 C VAL A 51 -3.558 -2.710 -6.514 1.00 0.00 C ATOM 361 O VAL A 51 -2.646 -2.027 -6.967 1.00 0.00 O ATOM 362 CB VAL A 51 -3.535 -5.231 -6.135 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.651 -5.384 -7.362 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.178 -6.403 -5.212 1.00 0.00 C ATOM 0 H VAL A 51 -4.545 -4.497 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.189 -3.802 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.605 -5.269 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.827 -6.358 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.887 -4.599 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.604 -5.304 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.406 -7.344 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.115 -6.368 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.759 -6.332 -4.292 1.00 0.00 H new ATOM 365 N TYR A 52 -4.843 -2.478 -6.790 1.00 0.00 N ATOM 366 CA TYR A 52 -5.352 -1.372 -7.594 1.00 0.00 C ATOM 367 C TYR A 52 -4.664 -0.048 -7.232 1.00 0.00 C ATOM 368 O TYR A 52 -4.143 0.643 -8.107 1.00 0.00 O ATOM 369 CB TYR A 52 -6.879 -1.329 -7.407 1.00 0.00 C ATOM 370 CG TYR A 52 -7.600 -0.045 -7.773 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.862 0.909 -6.770 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.235 0.072 -9.024 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.785 1.943 -7.001 1.00 0.00 C ATOM 374 CE2 TYR A 52 -9.121 1.137 -9.268 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.436 2.041 -8.240 1.00 0.00 C ATOM 376 OH TYR A 52 -10.430 2.954 -8.430 1.00 0.00 O ATOM 0 H TYR A 52 -5.587 -3.084 -6.443 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.125 -1.526 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.312 -2.136 -7.998 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.095 -1.548 -6.361 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.352 0.845 -5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.042 -0.657 -9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.994 2.663 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.560 1.260 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.742 3.283 -7.561 1.00 0.00 H new ATOM 377 N GLN A 53 -4.625 0.303 -5.944 1.00 0.00 N ATOM 378 CA GLN A 53 -3.987 1.537 -5.505 1.00 0.00 C ATOM 379 C GLN A 53 -2.516 1.518 -5.913 1.00 0.00 C ATOM 380 O GLN A 53 -2.026 2.456 -6.538 1.00 0.00 O ATOM 381 CB GLN A 53 -4.155 1.686 -3.988 1.00 0.00 C ATOM 382 CG GLN A 53 -3.413 2.887 -3.388 1.00 0.00 C ATOM 383 CD GLN A 53 -4.071 4.242 -3.623 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.272 4.341 -3.838 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.288 5.313 -3.543 1.00 0.00 N ATOM 0 H GLN A 53 -5.029 -0.253 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.457 2.398 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.217 1.778 -3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.802 0.776 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.313 2.732 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.405 2.914 -3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.290 5.203 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.685 6.245 -3.662 1.00 0.00 H new ATOM 386 N ILE A 54 -1.807 0.451 -5.540 1.00 0.00 N ATOM 387 CA ILE A 54 -0.386 0.320 -5.831 1.00 0.00 C ATOM 388 C ILE A 54 -0.138 0.456 -7.337 1.00 0.00 C ATOM 389 O ILE A 54 0.734 1.220 -7.743 1.00 0.00 O ATOM 390 CB ILE A 54 0.164 -0.986 -5.226 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.523 -0.812 -3.738 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.443 -1.450 -5.935 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.709 -0.714 -2.844 1.00 0.00 C ATOM 0 H ILE A 54 -2.202 -0.340 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 54 0.168 1.131 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.630 -1.722 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.135 -1.654 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.128 0.087 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.798 -2.374 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.231 -1.625 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.210 -0.681 -5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.397 -0.592 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.310 0.144 -3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.302 -1.624 -2.940 1.00 0.00 H new ATOM 394 N GLU A 55 -0.905 -0.256 -8.164 1.00 0.00 N ATOM 395 CA GLU A 55 -0.835 -0.153 -9.598 1.00 0.00 C ATOM 396 C GLU A 55 -1.022 1.302 -10.017 1.00 0.00 C ATOM 397 O GLU A 55 -0.058 1.946 -10.424 1.00 0.00 O ATOM 398 CB GLU A 55 -1.926 -1.031 -10.202 1.00 0.00 C ATOM 399 CG GLU A 55 -1.639 -2.533 -10.163 1.00 0.00 C ATOM 400 CD GLU A 55 -2.828 -3.326 -10.701 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.852 -2.682 -11.028 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.693 -4.565 -10.772 1.00 0.00 O ATOM 0 H GLU A 55 -1.600 -0.928 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 55 0.138 -0.489 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.860 -0.840 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.080 -0.732 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.751 -2.754 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.424 -2.840 -9.140 1.00 0.00 H new ATOM 403 N ASN A 56 -2.259 1.802 -9.947 1.00 0.00 N ATOM 404 CA ASN A 56 -2.687 2.965 -10.702 1.00 0.00 C ATOM 405 C ASN A 56 -2.823 4.240 -9.861 1.00 0.00 C ATOM 406 O ASN A 56 -3.393 5.202 -10.358 1.00 0.00 O ATOM 407 CB ASN A 56 -3.959 2.611 -11.483 1.00 0.00 C ATOM 408 CG ASN A 56 -5.116 2.143 -10.608 1.00 0.00 C ATOM 409 OD1 ASN A 56 -5.728 2.928 -9.893 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.433 0.851 -10.665 1.00 0.00 N ATOM 0 H ASN A 56 -2.990 1.403 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.898 3.219 -11.410 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.278 3.484 -12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.724 1.829 -12.205 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.204 0.490 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.905 0.222 -11.270 1.00 0.00 H new ATOM 411 N GLY A 57 -2.249 4.256 -8.648 1.00 0.00 N ATOM 412 CA GLY A 57 -1.917 5.410 -7.806 1.00 0.00 C ATOM 413 C GLY A 57 -2.825 6.635 -7.874 1.00 0.00 C ATOM 414 O GLY A 57 -2.911 7.352 -8.869 1.00 0.00 O ATOM 0 H GLY A 57 -1.983 3.383 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.892 5.071 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.907 5.729 -8.061 1.00 0.00 H new ATOM 415 N LYS A 58 -3.446 6.921 -6.737 1.00 0.00 N ATOM 416 CA LYS A 58 -4.395 8.018 -6.610 1.00 0.00 C ATOM 417 C LYS A 58 -3.678 9.374 -6.586 1.00 0.00 C ATOM 418 O LYS A 58 -2.454 9.426 -6.531 1.00 0.00 O ATOM 419 CB LYS A 58 -5.214 7.802 -5.335 1.00 0.00 C ATOM 420 CG LYS A 58 -6.731 7.855 -5.526 1.00 0.00 C ATOM 421 CD LYS A 58 -7.360 6.796 -4.619 1.00 0.00 C ATOM 422 CE LYS A 58 -7.089 6.954 -3.108 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.370 8.308 -2.587 1.00 0.00 N ATOM 0 H LYS A 58 -3.305 6.396 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.058 8.030 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.950 6.833 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.928 8.559 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.112 8.845 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.991 7.667 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.438 6.804 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.999 5.816 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.697 6.232 -2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.046 6.708 -2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.054 8.372 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.862 9.012 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.392 8.494 -2.637 1.00 0.00 H new ATOM 424 N GLY A 59 -4.471 10.454 -6.573 1.00 0.00 N ATOM 425 CA GLY A 59 -4.077 11.854 -6.429 1.00 0.00 C ATOM 426 C GLY A 59 -2.575 12.131 -6.401 1.00 0.00 C ATOM 427 O GLY A 59 -1.981 12.440 -7.433 1.00 0.00 O ATOM 0 H GLY A 59 -5.482 10.359 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.515 12.420 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.514 12.240 -5.508 1.00 0.00 H new ATOM 428 N ALA A 60 -1.981 12.060 -5.210 1.00 0.00 N ATOM 429 CA ALA A 60 -0.579 12.402 -4.979 1.00 0.00 C ATOM 430 C ALA A 60 0.277 11.166 -4.669 1.00 0.00 C ATOM 431 O ALA A 60 1.240 11.252 -3.907 1.00 0.00 O ATOM 432 CB ALA A 60 -0.501 13.465 -3.877 1.00 0.00 C ATOM 0 H ALA A 60 -2.468 11.759 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.158 12.817 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.542 13.727 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.050 14.354 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.939 13.071 -2.960 1.00 0.00 H new ATOM 433 N MET A 61 -0.053 10.023 -5.274 1.00 0.00 N ATOM 434 CA MET A 61 0.680 8.769 -5.165 1.00 0.00 C ATOM 435 C MET A 61 1.255 8.414 -6.551 1.00 0.00 C ATOM 436 O MET A 61 0.497 8.392 -7.515 1.00 0.00 O ATOM 437 CB MET A 61 -0.271 7.695 -4.621 1.00 0.00 C ATOM 438 CG MET A 61 0.358 6.307 -4.659 1.00 0.00 C ATOM 439 SD MET A 61 -0.046 5.160 -3.322 1.00 0.00 S ATOM 440 CE MET A 61 0.322 3.583 -4.108 1.00 0.00 C ATOM 0 H MET A 61 -0.872 9.947 -5.877 1.00 0.00 H new ATOM 0 HA MET A 61 1.519 8.847 -4.473 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.547 7.940 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.190 7.693 -5.207 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.074 5.837 -5.601 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.441 6.431 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.007 2.769 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.212 3.516 -5.056 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.394 3.508 -4.289 1.00 0.00 H new ATOM 441 N PRO A 62 2.569 8.131 -6.686 1.00 0.00 N ATOM 442 CA PRO A 62 3.239 7.952 -7.973 1.00 0.00 C ATOM 443 C PRO A 62 2.636 6.937 -8.948 1.00 0.00 C ATOM 444 O PRO A 62 2.883 7.060 -10.145 1.00 0.00 O ATOM 445 CB PRO A 62 4.673 7.535 -7.636 1.00 0.00 C ATOM 446 CG PRO A 62 4.928 8.265 -6.324 1.00 0.00 C ATOM 447 CD PRO A 62 3.571 8.168 -5.628 1.00 0.00 C ATOM 0 HA PRO A 62 3.141 8.895 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.766 6.455 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.377 7.837 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.718 7.791 -5.742 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.229 9.300 -6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.515 7.273 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.410 9.022 -4.970 1.00 0.00 H new ATOM 448 N ALA A 63 1.927 5.918 -8.444 1.00 0.00 N ATOM 449 CA ALA A 63 1.490 4.745 -9.193 1.00 0.00 C ATOM 450 C ALA A 63 2.690 3.852 -9.540 1.00 0.00 C ATOM 451 O ALA A 63 3.781 4.352 -9.830 1.00 0.00 O ATOM 452 CB ALA A 63 0.674 5.180 -10.412 1.00 0.00 C ATOM 0 H ALA A 63 1.634 5.893 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 63 0.829 4.133 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.351 4.299 -10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.200 5.742 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.289 5.809 -11.056 1.00 0.00 H new ATOM 453 N TRP A 64 2.527 2.529 -9.477 1.00 0.00 N ATOM 454 CA TRP A 64 3.624 1.579 -9.632 1.00 0.00 C ATOM 455 C TRP A 64 3.381 0.624 -10.800 1.00 0.00 C ATOM 456 O TRP A 64 4.140 -0.333 -10.981 1.00 0.00 O ATOM 457 CB TRP A 64 3.877 0.866 -8.301 1.00 0.00 C ATOM 458 CG TRP A 64 4.299 1.789 -7.200 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.493 2.444 -6.334 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.651 2.220 -6.888 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.256 3.239 -5.502 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.601 3.137 -5.799 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.915 1.914 -7.421 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.762 3.706 -5.255 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.086 2.483 -6.887 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.011 3.377 -5.806 1.00 0.00 C ATOM 0 H TRP A 64 1.622 2.086 -9.316 1.00 0.00 H new ATOM 0 HA TRP A 64 4.536 2.117 -9.890 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.969 0.344 -7.999 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.647 0.108 -8.444 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.417 2.358 -6.299 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.874 3.827 -4.761 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.989 1.231 -8.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.696 4.390 -4.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.047 2.231 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.913 3.811 -5.399 1.00 0.00 H new ATOM 467 N ASP A 65 2.369 0.915 -11.625 1.00 0.00 N ATOM 468 CA ASP A 65 2.086 0.238 -12.863 1.00 0.00 C ATOM 469 C ASP A 65 3.368 0.055 -13.683 1.00 0.00 C ATOM 470 O ASP A 65 4.035 1.018 -14.060 1.00 0.00 O ATOM 471 CB ASP A 65 1.008 1.030 -13.615 1.00 0.00 C ATOM 472 CG ASP A 65 1.388 2.484 -13.850 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.368 3.240 -12.857 1.00 0.00 O ATOM 474 OD2 ASP A 65 1.772 2.839 -14.985 1.00 0.00 O ATOM 0 H ASP A 65 1.705 1.663 -11.425 1.00 0.00 H new ATOM 0 HA ASP A 65 1.704 -0.765 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.818 0.551 -14.575 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.077 0.991 -13.050 1.00 0.00 H new ATOM 475 N GLY A 66 3.742 -1.209 -13.899 1.00 0.00 N ATOM 476 CA GLY A 66 4.900 -1.604 -14.686 1.00 0.00 C ATOM 477 C GLY A 66 6.241 -1.123 -14.125 1.00 0.00 C ATOM 478 O GLY A 66 7.229 -1.125 -14.857 1.00 0.00 O ATOM 0 H GLY A 66 3.229 -2.004 -13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.920 -2.691 -14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.784 -1.218 -15.699 1.00 0.00 H new ATOM 479 N ARG A 67 6.298 -0.715 -12.851 1.00 0.00 N ATOM 480 CA ARG A 67 7.536 -0.315 -12.187 1.00 0.00 C ATOM 481 C ARG A 67 7.993 -1.417 -11.234 1.00 0.00 C ATOM 482 O ARG A 67 9.187 -1.680 -11.133 1.00 0.00 O ATOM 483 CB ARG A 67 7.331 1.030 -11.480 1.00 0.00 C ATOM 484 CG ARG A 67 7.182 2.121 -12.551 1.00 0.00 C ATOM 485 CD ARG A 67 6.439 3.365 -12.060 1.00 0.00 C ATOM 486 NE ARG A 67 5.900 4.093 -13.221 1.00 0.00 N ATOM 487 CZ ARG A 67 4.584 4.138 -13.488 1.00 0.00 C ATOM 488 NH1 ARG A 67 3.716 4.322 -12.496 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.153 3.970 -14.740 1.00 0.00 N ATOM 0 H ARG A 67 5.476 -0.654 -12.250 1.00 0.00 H new ATOM 0 HA ARG A 67 8.330 -0.177 -12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.444 0.995 -10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.178 1.250 -10.829 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.172 2.414 -12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.652 1.706 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.631 3.079 -11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.114 4.007 -11.494 1.00 0.00 H new ATOM 0 HE ARG A 67 6.547 4.579 -13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.051 4.428 -11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.716 4.357 -12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.822 3.808 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.154 4.004 -14.944 1.00 0.00 H new ATOM 490 N LEU A 68 7.039 -2.063 -10.559 1.00 0.00 N ATOM 491 CA LEU A 68 7.268 -3.280 -9.789 1.00 0.00 C ATOM 492 C LEU A 68 6.781 -4.478 -10.622 1.00 0.00 C ATOM 493 O LEU A 68 5.928 -4.300 -11.494 1.00 0.00 O ATOM 494 CB LEU A 68 6.514 -3.167 -8.454 1.00 0.00 C ATOM 495 CG LEU A 68 6.908 -1.954 -7.591 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.985 -1.877 -6.370 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.361 -1.991 -7.109 1.00 0.00 C ATOM 0 H LEU A 68 6.070 -1.746 -10.534 1.00 0.00 H new ATOM 0 HA LEU A 68 8.326 -3.422 -9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.445 -3.117 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.685 -4.076 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 68 6.803 -1.075 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.262 -1.019 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.952 -1.768 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.083 -2.789 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.567 -1.106 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.522 -2.885 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.030 -2.009 -7.970 1.00 0.00 H new ATOM 498 N ASP A 69 7.311 -5.684 -10.376 1.00 0.00 N ATOM 499 CA ASP A 69 6.832 -6.920 -11.012 1.00 0.00 C ATOM 500 C ASP A 69 5.448 -7.281 -10.481 1.00 0.00 C ATOM 501 O ASP A 69 4.986 -6.745 -9.484 1.00 0.00 O ATOM 502 CB ASP A 69 7.819 -8.073 -10.772 1.00 0.00 C ATOM 503 CG ASP A 69 7.524 -9.371 -11.510 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.631 -10.096 -11.016 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.154 -9.594 -12.563 1.00 0.00 O ATOM 0 H ASP A 69 8.086 -5.831 -9.729 1.00 0.00 H new ATOM 0 HA ASP A 69 6.762 -6.752 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.816 -7.736 -11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.846 -8.285 -9.703 1.00 0.00 H new ATOM 506 N GLU A 70 4.801 -8.241 -11.121 1.00 0.00 N ATOM 507 CA GLU A 70 3.496 -8.745 -10.725 1.00 0.00 C ATOM 508 C GLU A 70 3.586 -9.389 -9.339 1.00 0.00 C ATOM 509 O GLU A 70 2.768 -9.110 -8.459 1.00 0.00 O ATOM 510 CB GLU A 70 2.987 -9.751 -11.766 1.00 0.00 C ATOM 511 CG GLU A 70 2.800 -9.111 -13.151 1.00 0.00 C ATOM 512 CD GLU A 70 2.166 -10.064 -14.161 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.988 -11.252 -13.809 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.860 -9.583 -15.272 1.00 0.00 O ATOM 0 H GLU A 70 5.177 -8.702 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 70 2.788 -7.918 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.691 -10.579 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.038 -10.170 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.176 -8.223 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.768 -8.781 -13.528 1.00 0.00 H new ATOM 515 N ASP A 71 4.589 -10.250 -9.141 1.00 0.00 N ATOM 516 CA ASP A 71 4.761 -10.975 -7.886 1.00 0.00 C ATOM 517 C ASP A 71 5.030 -9.961 -6.772 1.00 0.00 C ATOM 518 O ASP A 71 4.402 -9.958 -5.715 1.00 0.00 O ATOM 519 CB ASP A 71 5.910 -11.981 -8.042 1.00 0.00 C ATOM 520 CG ASP A 71 5.864 -13.099 -7.015 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.713 -12.826 -5.802 1.00 0.00 O ATOM 522 OD2 ASP A 71 5.977 -14.277 -7.415 1.00 0.00 O ATOM 0 H ASP A 71 5.298 -10.461 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 71 3.863 -11.536 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.874 -12.412 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.861 -11.455 -7.956 1.00 0.00 H new ATOM 523 N GLU A 72 5.945 -9.040 -7.072 1.00 0.00 N ATOM 524 CA GLU A 72 6.334 -7.923 -6.246 1.00 0.00 C ATOM 525 C GLU A 72 5.118 -7.097 -5.804 1.00 0.00 C ATOM 526 O GLU A 72 4.825 -7.019 -4.609 1.00 0.00 O ATOM 527 CB GLU A 72 7.352 -7.138 -7.075 1.00 0.00 C ATOM 528 CG GLU A 72 8.084 -6.099 -6.266 1.00 0.00 C ATOM 529 CD GLU A 72 9.185 -5.422 -7.070 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.049 -5.413 -8.312 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.136 -4.929 -6.427 1.00 0.00 O ATOM 0 H GLU A 72 6.459 -9.065 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 72 6.785 -8.238 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.074 -7.831 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.840 -6.652 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.376 -5.347 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.516 -6.567 -5.381 1.00 0.00 H new ATOM 532 N ILE A 73 4.390 -6.516 -6.764 1.00 0.00 N ATOM 533 CA ILE A 73 3.120 -5.813 -6.565 1.00 0.00 C ATOM 534 C ILE A 73 2.233 -6.616 -5.608 1.00 0.00 C ATOM 535 O ILE A 73 1.782 -6.119 -4.574 1.00 0.00 O ATOM 536 CB ILE A 73 2.404 -5.615 -7.922 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.114 -4.636 -8.869 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.944 -5.193 -7.756 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.763 -3.154 -8.708 1.00 0.00 C ATOM 0 H ILE A 73 4.683 -6.524 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 73 3.316 -4.833 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 73 2.442 -6.601 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.190 -4.749 -8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.890 -4.930 -9.894 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.488 -5.068 -8.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.404 -5.960 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.897 -4.250 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.328 -2.566 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.696 -3.012 -8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.015 -2.828 -7.699 1.00 0.00 H new ATOM 540 N ALA A 74 1.973 -7.875 -5.959 1.00 0.00 N ATOM 541 CA ALA A 74 1.126 -8.736 -5.148 1.00 0.00 C ATOM 542 C ALA A 74 1.670 -8.891 -3.722 1.00 0.00 C ATOM 543 O ALA A 74 0.894 -8.944 -2.767 1.00 0.00 O ATOM 544 CB ALA A 74 0.948 -10.092 -5.835 1.00 0.00 C ATOM 0 H ALA A 74 2.339 -8.318 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 74 0.147 -8.265 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.313 -10.730 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.483 -9.948 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.921 -10.565 -5.964 1.00 0.00 H new ATOM 545 N GLY A 75 2.996 -8.949 -3.561 1.00 0.00 N ATOM 546 CA GLY A 75 3.628 -9.189 -2.279 1.00 0.00 C ATOM 547 C GLY A 75 3.475 -7.952 -1.416 1.00 0.00 C ATOM 548 O GLY A 75 3.057 -8.040 -0.265 1.00 0.00 O ATOM 0 H GLY A 75 3.657 -8.829 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.172 -10.049 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.683 -9.424 -2.417 1.00 0.00 H new ATOM 549 N VAL A 76 3.792 -6.784 -1.978 1.00 0.00 N ATOM 550 CA VAL A 76 3.672 -5.535 -1.251 1.00 0.00 C ATOM 551 C VAL A 76 2.210 -5.309 -0.854 1.00 0.00 C ATOM 552 O VAL A 76 1.941 -4.935 0.288 1.00 0.00 O ATOM 553 CB VAL A 76 4.344 -4.388 -2.029 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.432 -3.620 -2.987 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.892 -3.339 -1.051 1.00 0.00 C ATOM 0 H VAL A 76 4.133 -6.685 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 76 4.220 -5.574 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 76 5.113 -4.890 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.004 -2.836 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.031 -4.304 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.611 -3.172 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.365 -2.532 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.074 -2.936 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.626 -3.804 -0.393 1.00 0.00 H new ATOM 556 N ALA A 77 1.261 -5.590 -1.759 1.00 0.00 N ATOM 557 CA ALA A 77 -0.151 -5.541 -1.415 1.00 0.00 C ATOM 558 C ALA A 77 -0.474 -6.469 -0.240 1.00 0.00 C ATOM 559 O ALA A 77 -0.983 -6.011 0.781 1.00 0.00 O ATOM 560 CB ALA A 77 -1.006 -5.870 -2.640 1.00 0.00 C ATOM 0 H ALA A 77 1.453 -5.851 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.390 -4.527 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.061 -5.830 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.806 -5.145 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.761 -6.870 -2.997 1.00 0.00 H new ATOM 561 N ALA A 78 -0.177 -7.766 -0.368 1.00 0.00 N ATOM 562 CA ALA A 78 -0.384 -8.744 0.698 1.00 0.00 C ATOM 563 C ALA A 78 0.218 -8.281 2.032 1.00 0.00 C ATOM 564 O ALA A 78 -0.442 -8.344 3.068 1.00 0.00 O ATOM 565 CB ALA A 78 0.189 -10.100 0.276 1.00 0.00 C ATOM 0 H ALA A 78 0.216 -8.166 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.457 -8.845 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.032 -10.826 1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.314 -10.442 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.257 -9.999 0.082 1.00 0.00 H new ATOM 566 N TYR A 79 1.464 -7.808 2.016 1.00 0.00 N ATOM 567 CA TYR A 79 2.140 -7.318 3.208 1.00 0.00 C ATOM 568 C TYR A 79 1.384 -6.150 3.818 1.00 0.00 C ATOM 569 O TYR A 79 1.051 -6.197 4.994 1.00 0.00 O ATOM 570 CB TYR A 79 3.562 -6.870 2.858 1.00 0.00 C ATOM 571 CG TYR A 79 4.306 -6.209 4.006 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.575 -6.934 5.183 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.595 -4.832 3.959 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.119 -6.285 6.306 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.186 -4.196 5.066 1.00 0.00 C ATOM 576 CZ TYR A 79 5.443 -4.919 6.239 1.00 0.00 C ATOM 577 OH TYR A 79 6.024 -4.296 7.304 1.00 0.00 O ATOM 0 H TYR A 79 2.032 -7.755 1.170 1.00 0.00 H new ATOM 0 HA TYR A 79 2.178 -8.131 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.132 -7.736 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.516 -6.174 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.363 -7.992 5.223 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.363 -4.263 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.288 -6.836 7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.442 -3.148 5.012 1.00 0.00 H new ATOM 0 HH TYR A 79 5.451 -4.394 8.093 1.00 0.00 H new ATOM 578 N VAL A 80 1.120 -5.100 3.039 1.00 0.00 N ATOM 579 CA VAL A 80 0.312 -3.978 3.480 1.00 0.00 C ATOM 580 C VAL A 80 -0.984 -4.501 4.110 1.00 0.00 C ATOM 581 O VAL A 80 -1.365 -4.058 5.191 1.00 0.00 O ATOM 582 CB VAL A 80 0.085 -3.046 2.279 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.124 -2.145 2.485 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.319 -2.168 2.043 1.00 0.00 C ATOM 0 H VAL A 80 1.465 -5.010 2.083 1.00 0.00 H new ATOM 0 HA VAL A 80 0.813 -3.395 4.253 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.095 -3.681 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.251 -1.501 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.016 -2.757 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.972 -1.530 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.142 -1.514 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.510 -1.564 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.183 -2.801 1.842 1.00 0.00 H new ATOM 585 N TYR A 81 -1.645 -5.462 3.458 1.00 0.00 N ATOM 586 CA TYR A 81 -2.871 -6.052 3.968 1.00 0.00 C ATOM 587 C TYR A 81 -2.658 -6.662 5.351 1.00 0.00 C ATOM 588 O TYR A 81 -3.367 -6.300 6.279 1.00 0.00 O ATOM 589 CB TYR A 81 -3.434 -7.077 2.982 1.00 0.00 C ATOM 590 CG TYR A 81 -4.919 -7.313 3.155 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.827 -6.385 2.620 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.398 -8.428 3.869 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.205 -6.575 2.782 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.784 -8.625 4.016 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.689 -7.701 3.467 1.00 0.00 C ATOM 596 OH TYR A 81 -9.029 -7.873 3.655 1.00 0.00 O ATOM 0 H TYR A 81 -1.340 -5.847 2.564 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.608 -5.257 4.075 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.242 -6.737 1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.905 -8.022 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.462 -5.523 2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.703 -9.131 4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.898 -5.852 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.152 -9.488 4.552 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.507 -7.073 3.353 1.00 0.00 H new ATOM 597 N ASP A 82 -1.687 -7.565 5.510 1.00 0.00 N ATOM 598 CA ASP A 82 -1.346 -8.149 6.811 1.00 0.00 C ATOM 599 C ASP A 82 -1.089 -7.056 7.858 1.00 0.00 C ATOM 600 O ASP A 82 -1.610 -7.057 8.983 1.00 0.00 O ATOM 601 CB ASP A 82 -0.067 -8.991 6.683 1.00 0.00 C ATOM 602 CG ASP A 82 0.398 -9.391 8.076 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.378 -10.051 8.800 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.416 -8.829 8.540 1.00 0.00 O ATOM 0 H ASP A 82 -1.115 -7.912 4.741 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.187 -8.766 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.258 -9.878 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.711 -8.421 6.175 1.00 0.00 H new ATOM 605 N GLN A 83 -0.183 -6.164 7.478 1.00 0.00 N ATOM 606 CA GLN A 83 0.430 -5.139 8.287 1.00 0.00 C ATOM 607 C GLN A 83 -0.643 -4.181 8.813 1.00 0.00 C ATOM 608 O GLN A 83 -0.588 -3.784 9.980 1.00 0.00 O ATOM 609 CB GLN A 83 1.510 -4.486 7.413 1.00 0.00 C ATOM 610 CG GLN A 83 2.339 -3.404 8.078 1.00 0.00 C ATOM 611 CD GLN A 83 3.043 -3.838 9.346 1.00 0.00 C ATOM 612 OE1 GLN A 83 4.191 -4.276 9.321 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.359 -3.673 10.468 1.00 0.00 N ATOM 0 H GLN A 83 0.164 -6.144 6.519 1.00 0.00 H new ATOM 0 HA GLN A 83 0.911 -5.527 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.184 -5.266 7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.028 -4.058 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.085 -3.048 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.691 -2.559 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.408 -3.306 10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.783 -3.913 11.364 1.00 0.00 H new ATOM 614 N ALA A 84 -1.628 -3.864 7.965 1.00 0.00 N ATOM 615 CA ALA A 84 -2.794 -3.052 8.276 1.00 0.00 C ATOM 616 C ALA A 84 -3.900 -3.860 8.964 1.00 0.00 C ATOM 617 O ALA A 84 -4.566 -3.335 9.845 1.00 0.00 O ATOM 618 CB ALA A 84 -3.319 -2.408 6.992 1.00 0.00 C ATOM 0 H ALA A 84 -1.627 -4.186 6.997 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.487 -2.278 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.193 -1.799 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.542 -1.779 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.596 -3.187 6.281 1.00 0.00 H new ATOM 619 N ALA A 85 -4.103 -5.132 8.602 1.00 0.00 N ATOM 620 CA ALA A 85 -5.155 -5.983 9.160 1.00 0.00 C ATOM 621 C ALA A 85 -4.959 -6.137 10.662 1.00 0.00 C ATOM 622 O ALA A 85 -5.849 -5.824 11.449 1.00 0.00 O ATOM 623 CB ALA A 85 -5.160 -7.370 8.500 1.00 0.00 C ATOM 0 H ALA A 85 -3.531 -5.604 7.902 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.113 -5.503 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.953 -7.978 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.333 -7.263 7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.198 -7.855 8.665 1.00 0.00 H new ATOM 624 N GLY A 86 -3.770 -6.603 11.054 1.00 0.00 N ATOM 625 CA GLY A 86 -3.384 -6.607 12.460 1.00 0.00 C ATOM 626 C GLY A 86 -3.141 -5.182 12.967 1.00 0.00 C ATOM 627 O GLY A 86 -3.108 -4.946 14.169 1.00 0.00 O ATOM 0 H GLY A 86 -3.065 -6.979 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.166 -7.080 13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.480 -7.202 12.591 1.00 0.00 H new ATOM 628 N ASN A 87 -2.944 -4.244 12.035 1.00 0.00 N ATOM 629 CA ASN A 87 -2.677 -2.833 12.269 1.00 0.00 C ATOM 630 C ASN A 87 -1.473 -2.668 13.195 1.00 0.00 C ATOM 631 O ASN A 87 -1.444 -1.785 14.049 1.00 0.00 O ATOM 632 CB ASN A 87 -3.948 -2.100 12.731 1.00 0.00 C ATOM 633 CG ASN A 87 -3.896 -0.620 12.352 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.586 -0.168 11.436 1.00 0.00 O ATOM 635 ND2 ASN A 87 -3.056 0.142 13.038 1.00 0.00 N ATOM 0 H ASN A 87 -2.969 -4.469 11.041 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.399 -2.349 11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.824 -2.564 12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.057 -2.199 13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.967 1.133 12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.499 -0.263 13.791 1.00 0.00 H new ATOM 636 N LYS A 88 -0.458 -3.516 12.999 1.00 0.00 N ATOM 637 CA LYS A 88 0.740 -3.560 13.806 1.00 0.00 C ATOM 638 C LYS A 88 1.819 -2.652 13.199 1.00 0.00 C ATOM 639 O LYS A 88 2.987 -3.030 13.116 1.00 0.00 O ATOM 640 CB LYS A 88 1.124 -5.037 14.069 1.00 0.00 C ATOM 641 CG LYS A 88 1.967 -5.868 13.076 1.00 0.00 C ATOM 642 CD LYS A 88 1.266 -6.378 11.809 1.00 0.00 C ATOM 643 CE LYS A 88 0.577 -7.736 12.007 1.00 0.00 C ATOM 644 NZ LYS A 88 0.087 -8.273 10.720 1.00 0.00 N ATOM 0 H LYS A 88 -0.459 -4.207 12.249 1.00 0.00 H new ATOM 0 HA LYS A 88 0.586 -3.139 14.800 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.656 -5.056 15.020 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.190 -5.580 14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.820 -5.262 12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.365 -6.730 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.525 -5.645 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.997 -6.462 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.276 -8.441 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.256 -7.627 12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.434 -9.157 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.545 -7.579 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.895 -8.461 10.092 1.00 0.00 H new ATOM 645 N TRP A 89 1.403 -1.492 12.679 1.00 0.00 N ATOM 646 CA TRP A 89 2.313 -0.474 12.177 1.00 0.00 C ATOM 647 C TRP A 89 3.210 0.052 13.301 1.00 0.00 C ATOM 648 O TRP A 89 4.323 0.513 12.961 1.00 0.00 O ATOM 649 CB TRP A 89 1.499 0.668 11.566 1.00 0.00 C ATOM 650 CG TRP A 89 0.848 0.348 10.256 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.480 0.281 10.016 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.499 0.035 8.991 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.689 -0.018 8.688 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.495 -0.200 8.006 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.842 -0.122 8.590 1.00 0.00 C ATOM 656 CZ2 TRP A 89 0.809 -0.555 6.682 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.167 -0.472 7.268 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.158 -0.660 6.307 1.00 0.00 C ATOM 659 OXT TRP A 89 2.762 0.004 14.469 1.00 0.00 O ATOM 0 H TRP A 89 0.418 -1.238 12.597 1.00 0.00 H new ATOM 0 HA TRP A 89 2.955 -0.912 11.413 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.727 0.965 12.276 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.154 1.529 11.429 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.256 0.437 10.751 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.611 -0.096 8.260 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.633 0.029 9.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.024 -0.744 5.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.202 -0.598 6.988 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.420 -0.884 5.284 1.00 0.00 H new