USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 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 106 ASN : amide:sc= 1.55 K(o=2.7,f=-3.7!) USER MOD Set 1.2: A 139 TYR OH : rot 12:sc= 1.16 USER MOD Set 2.1: A 138 HIS :FLIP no HD1:sc= -0.44 F(o=-2.6,f=-0.99) USER MOD Set 2.2: A 141 GLN : amide:sc= -0.547! C(o=-0.99!,f=-2.6!) USER MOD Set 3.1: A 113 SER OG : rot 92:sc= 0.0901 USER MOD Set 3.2: A 115 LYS NZ :NH3+ -135:sc=-0.00279 (180deg=-0.871) USER MOD Set 3.3: A 116 HIS : no HE2:sc= -0.0533 X(o=0.034,f=-0.41) USER MOD Set 4.1: A 109 ASN : amide:sc=-0.00165 K(o=-0.0017,f=-3.1!) USER MOD Set 4.2: A 111 TYR OH : rot 165:sc= 0 USER MOD Set 5.1: A 29 TYR OH : rot 130:sc= 0.287 USER MOD Set 5.2: A 31 SER OG : rot -29:sc= 2.32 USER MOD Set 5.3: A 108 TYR OH : rot 142:sc= 1.23 USER MOD Set 6.1: A 90 SER OG : rot -144:sc= 0.66 USER MOD Set 6.2: A 94 ASN : amide:sc= -0.844 K(o=-3.5,f=-11!) USER MOD Set 6.3: A 97 CYS SG : rot -72:sc= -3.28! USER MOD Set 7.1: A 91 GLN : amide:sc= -2.68! C(o=-2.4!,f=-3.5!) USER MOD Set 7.2: A 92 THR OG1 : rot 31:sc= 0.33 USER MOD Set 8.1: A 72 SER OG : rot -67:sc= 1.29 USER MOD Set 8.2: A 75 THR OG1 : rot 79:sc= -0.0902 USER MOD Set 9.1: A 48 THR OG1 : rot -111:sc= 0.741 USER MOD Set 9.2: A 52 SER OG : rot -101:sc= -0.08 USER MOD Single : A 30 CYS SG : rot 109:sc= 0.98 USER MOD Single : A 32 ASN : amide:sc= 0.359 K(o=0.36,f=-0.99) USER MOD Single : A 35 HIS : no HE2:sc= -2.97! C(o=-3!,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 54 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.9!) USER MOD Single : A 55 HIS : no HE2:sc= -0.79 X(o=-0.79,f=-0.41) USER MOD Single : A 57 GLN : amide:sc= -0.308 X(o=-0.31,f=0.072) USER MOD Single : A 59 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.032) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 45:sc= 0.0546 USER MOD Single : A 69 TYR OH : rot 133:sc= 0.148 USER MOD Single : A 71 LYS NZ :NH3+ -126:sc= -1.33 (180deg=-4.83!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.559 K(o=0.56,f=-4.7!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -110:sc= -2.35 (180deg=-6.54!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -32:sc= 0.00798 USER MOD Single : A 107 HIS : no HE2:sc= 0.193 K(o=0.19,f=-2.8!) USER MOD Single : A 110 THR OG1 : rot 96:sc= 1.18 USER MOD Single : A 114 LYS NZ :NH3+ 148:sc= -0.0123 (180deg=-1.29!) USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0191) USER MOD Single : A 120 ASN : amide:sc= 0.213 K(o=0.21,f=-2.4!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.735 F(o=-2.1!,f=-0.73) USER MOD Single : A 130 SER OG : rot 180:sc= -0.165 USER MOD Single : A 131 CYS SG : rot -50:sc= -0.0229 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 142:sc= 1.23 USER MOD Single : A 142 LYS NZ :NH3+ 156:sc= -0.111 (180deg=-0.684) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.654 -5.018 11.564 1.00 0.00 N ATOM 12 CA ALA A 26 3.067 -5.326 10.189 1.00 0.00 C ATOM 13 C ALA A 26 3.721 -4.155 9.465 1.00 0.00 C ATOM 14 O ALA A 26 3.238 -3.027 9.498 1.00 0.00 O ATOM 15 CB ALA A 26 1.880 -5.856 9.379 1.00 0.00 C ATOM 0 HA ALA A 26 3.833 -6.097 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.204 -6.079 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.497 -6.764 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.093 -5.103 9.352 1.00 0.00 H new ATOM 16 N LEU A 27 4.709 -4.551 8.669 1.00 0.00 N ATOM 17 CA LEU A 27 5.483 -3.624 7.819 1.00 0.00 C ATOM 18 C LEU A 27 5.307 -4.008 6.351 1.00 0.00 C ATOM 19 O LEU A 27 5.358 -5.185 5.993 1.00 0.00 O ATOM 20 CB LEU A 27 6.983 -3.720 8.106 1.00 0.00 C ATOM 21 CG LEU A 27 7.403 -3.520 9.560 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.835 -4.018 9.720 1.00 0.00 C ATOM 23 CD2 LEU A 27 7.260 -2.057 10.014 1.00 0.00 C ATOM 0 H LEU A 27 5.004 -5.524 8.588 1.00 0.00 H new ATOM 0 HA LEU A 27 5.119 -2.619 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.333 -4.699 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.497 -2.978 7.495 1.00 0.00 H new ATOM 0 HG LEU A 27 6.737 -4.095 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.154 -3.883 10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.884 -5.075 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.493 -3.452 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.571 -1.967 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.888 -1.420 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.220 -1.746 9.918 1.00 0.00 H new ATOM 24 N LEU A 28 5.105 -2.970 5.559 1.00 0.00 N ATOM 25 CA LEU A 28 5.081 -3.110 4.098 1.00 0.00 C ATOM 26 C LEU A 28 6.209 -2.248 3.541 1.00 0.00 C ATOM 27 O LEU A 28 6.249 -1.034 3.732 1.00 0.00 O ATOM 28 CB LEU A 28 3.760 -2.574 3.602 1.00 0.00 C ATOM 29 CG LEU A 28 3.336 -3.270 2.298 1.00 0.00 C ATOM 30 CD1 LEU A 28 2.866 -4.705 2.561 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.187 -2.508 1.650 1.00 0.00 C ATOM 0 H LEU A 28 4.954 -2.018 5.894 1.00 0.00 H new ATOM 0 HA LEU A 28 5.203 -4.148 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.994 -2.723 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.839 -1.500 3.436 1.00 0.00 H new ATOM 0 HG LEU A 28 4.205 -3.288 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.573 -5.170 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.677 -5.277 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.013 -4.690 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.893 -3.008 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.338 -2.480 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.506 -1.490 1.425 1.00 0.00 H new ATOM 32 N TYR A 29 7.160 -2.964 2.968 1.00 0.00 N ATOM 33 CA TYR A 29 8.377 -2.387 2.384 1.00 0.00 C ATOM 34 C TYR A 29 8.296 -2.450 0.849 1.00 0.00 C ATOM 35 O TYR A 29 7.637 -3.321 0.290 1.00 0.00 O ATOM 36 CB TYR A 29 9.517 -3.201 3.001 1.00 0.00 C ATOM 37 CG TYR A 29 10.838 -3.154 2.246 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.595 -1.953 2.208 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.141 -4.264 1.445 1.00 0.00 C ATOM 40 CE1 TYR A 29 12.659 -1.868 1.292 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.198 -4.168 0.533 1.00 0.00 C ATOM 42 CZ TYR A 29 12.932 -2.957 0.451 1.00 0.00 C ATOM 43 OH TYR A 29 13.786 -2.806 -0.588 1.00 0.00 O ATOM 0 H TYR A 29 7.116 -3.980 2.890 1.00 0.00 H new ATOM 0 HA TYR A 29 8.527 -1.329 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.686 -2.845 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.198 -4.241 3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.360 -1.128 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.569 -5.176 1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.260 -0.973 1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.452 -5.005 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 29 14.452 -3.525 -0.571 1.00 0.00 H new ATOM 44 N CYS A 30 8.857 -1.438 0.208 1.00 0.00 N ATOM 45 CA CYS A 30 8.968 -1.330 -1.263 1.00 0.00 C ATOM 46 C CYS A 30 10.433 -1.339 -1.681 1.00 0.00 C ATOM 47 O CYS A 30 11.218 -0.496 -1.237 1.00 0.00 O ATOM 48 CB CYS A 30 8.297 -0.037 -1.735 1.00 0.00 C ATOM 49 SG CYS A 30 8.214 0.088 -3.554 1.00 0.00 S ATOM 0 H CYS A 30 9.263 -0.640 0.697 1.00 0.00 H new ATOM 0 HA CYS A 30 8.468 -2.183 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.289 0.015 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.846 0.818 -1.341 1.00 0.00 H new ATOM 0 HG CYS A 30 6.984 -0.067 -3.944 1.00 0.00 H new ATOM 50 N SER A 31 10.674 -2.140 -2.703 1.00 0.00 N ATOM 51 CA SER A 31 12.021 -2.275 -3.299 1.00 0.00 C ATOM 52 C SER A 31 12.290 -1.310 -4.473 1.00 0.00 C ATOM 53 O SER A 31 13.349 -1.359 -5.101 1.00 0.00 O ATOM 54 CB SER A 31 12.350 -3.705 -3.708 1.00 0.00 C ATOM 55 OG SER A 31 12.544 -4.478 -2.511 1.00 0.00 O ATOM 0 H SER A 31 9.961 -2.716 -3.150 1.00 0.00 H new ATOM 0 HA SER A 31 12.693 -1.988 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.541 -4.126 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.248 -3.727 -4.325 1.00 0.00 H new ATOM 0 HG SER A 31 12.870 -3.895 -1.794 1.00 0.00 H new ATOM 56 N ASN A 32 11.398 -0.332 -4.626 1.00 0.00 N ATOM 57 CA ASN A 32 11.606 0.786 -5.560 1.00 0.00 C ATOM 58 C ASN A 32 12.427 1.901 -4.856 1.00 0.00 C ATOM 59 O ASN A 32 12.003 3.031 -4.666 1.00 0.00 O ATOM 60 CB ASN A 32 10.261 1.324 -6.049 1.00 0.00 C ATOM 61 CG ASN A 32 10.380 2.204 -7.303 1.00 0.00 C ATOM 62 OD1 ASN A 32 11.255 2.072 -8.143 1.00 0.00 O ATOM 63 ND2 ASN A 32 9.439 3.106 -7.458 1.00 0.00 N ATOM 0 H ASN A 32 10.517 -0.287 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 32 12.163 0.435 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.598 0.486 -6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.796 1.902 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.436 3.703 -8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.711 3.210 -6.751 1.00 0.00 H new ATOM 64 N GLY A 33 13.553 1.428 -4.332 1.00 0.00 N ATOM 65 CA GLY A 33 14.452 2.159 -3.433 1.00 0.00 C ATOM 66 C GLY A 33 14.512 1.391 -2.109 1.00 0.00 C ATOM 67 O GLY A 33 14.668 0.172 -2.108 1.00 0.00 O ATOM 0 H GLY A 33 13.882 0.483 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.446 2.243 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.088 3.174 -3.270 1.00 0.00 H new ATOM 68 N GLY A 34 14.265 2.103 -1.006 1.00 0.00 N ATOM 69 CA GLY A 34 14.268 1.477 0.325 1.00 0.00 C ATOM 70 C GLY A 34 13.201 2.013 1.275 1.00 0.00 C ATOM 71 O GLY A 34 13.488 2.246 2.451 1.00 0.00 O ATOM 0 H GLY A 34 14.062 3.103 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.127 0.403 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.248 1.622 0.779 1.00 0.00 H new ATOM 72 N HIS A 35 11.957 2.006 0.830 1.00 0.00 N ATOM 73 CA HIS A 35 10.896 2.664 1.600 1.00 0.00 C ATOM 74 C HIS A 35 9.838 1.722 2.152 1.00 0.00 C ATOM 75 O HIS A 35 9.455 0.755 1.514 1.00 0.00 O ATOM 76 CB HIS A 35 10.092 3.699 0.823 1.00 0.00 C ATOM 77 CG HIS A 35 10.939 4.675 0.015 1.00 0.00 C ATOM 78 ND1 HIS A 35 11.223 5.918 0.376 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.217 4.524 -1.270 1.00 0.00 C ATOM 80 CE1 HIS A 35 11.622 6.562 -0.710 1.00 0.00 C ATOM 81 NE2 HIS A 35 11.620 5.703 -1.715 1.00 0.00 N ATOM 0 H HIS A 35 11.653 1.566 -0.038 1.00 0.00 H new ATOM 0 HA HIS A 35 11.486 3.123 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.412 3.181 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.476 4.264 1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 35 11.148 6.307 1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.131 3.614 -1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.900 7.604 -0.765 1.00 0.00 H new ATOM 82 N PHE A 36 9.258 2.199 3.240 1.00 0.00 N ATOM 83 CA PHE A 36 8.058 1.617 3.842 1.00 0.00 C ATOM 84 C PHE A 36 6.839 2.493 3.534 1.00 0.00 C ATOM 85 O PHE A 36 6.954 3.716 3.423 1.00 0.00 O ATOM 86 CB PHE A 36 8.262 1.579 5.346 1.00 0.00 C ATOM 87 CG PHE A 36 9.250 0.484 5.748 1.00 0.00 C ATOM 88 CD1 PHE A 36 10.630 0.813 5.801 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.790 -0.798 6.113 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.564 -0.169 6.202 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.722 -1.775 6.524 1.00 0.00 C ATOM 92 CZ PHE A 36 11.105 -1.455 6.559 1.00 0.00 C ATOM 0 H PHE A 36 9.609 3.014 3.742 1.00 0.00 H new ATOM 0 HA PHE A 36 7.890 0.617 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.629 2.546 5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.306 1.407 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.963 1.806 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.736 -1.030 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.618 0.062 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.385 -2.760 6.810 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.817 -2.208 6.864 1.00 0.00 H new ATOM 93 N LEU A 37 5.707 1.820 3.428 1.00 0.00 N ATOM 94 CA LEU A 37 4.410 2.431 3.067 1.00 0.00 C ATOM 95 C LEU A 37 3.650 2.943 4.316 1.00 0.00 C ATOM 96 O LEU A 37 2.837 2.233 4.906 1.00 0.00 O ATOM 97 CB LEU A 37 3.620 1.339 2.344 1.00 0.00 C ATOM 98 CG LEU A 37 2.418 1.974 1.641 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.810 2.623 0.311 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.350 0.920 1.360 1.00 0.00 C ATOM 0 H LEU A 37 5.647 0.815 3.590 1.00 0.00 H new ATOM 0 HA LEU A 37 4.553 3.306 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.256 0.833 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.284 0.584 3.055 1.00 0.00 H new ATOM 0 HG LEU A 37 2.032 2.743 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.927 3.061 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.550 3.403 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.232 1.868 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.501 1.386 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.766 0.142 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.019 0.478 2.300 1.00 0.00 H new ATOM 101 N ARG A 38 3.858 4.207 4.642 1.00 0.00 N ATOM 102 CA ARG A 38 3.313 4.771 5.895 1.00 0.00 C ATOM 103 C ARG A 38 2.369 5.973 5.786 1.00 0.00 C ATOM 104 O ARG A 38 2.587 6.916 5.016 1.00 0.00 O ATOM 105 CB ARG A 38 4.401 5.068 6.917 1.00 0.00 C ATOM 106 CG ARG A 38 5.381 6.170 6.530 1.00 0.00 C ATOM 107 CD ARG A 38 5.975 6.639 7.856 1.00 0.00 C ATOM 108 NE ARG A 38 6.776 7.860 7.653 1.00 0.00 N ATOM 109 CZ ARG A 38 7.386 8.529 8.633 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.017 8.388 9.900 1.00 0.00 N ATOM 111 NH2 ARG A 38 8.168 9.555 8.338 1.00 0.00 N ATOM 0 H ARG A 38 4.391 4.866 4.075 1.00 0.00 H new ATOM 0 HA ARG A 38 2.675 3.954 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.926 5.343 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.964 4.153 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.154 5.795 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.877 6.985 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.176 6.834 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.599 5.853 8.281 1.00 0.00 H new ATOM 0 HE ARG A 38 6.870 8.216 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.252 7.758 10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.498 8.910 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.302 9.831 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.637 10.070 9.083 1.00 0.00 H new ATOM 112 N ILE A 39 1.469 5.986 6.766 1.00 0.00 N ATOM 113 CA ILE A 39 0.413 6.997 6.948 1.00 0.00 C ATOM 114 C ILE A 39 0.936 8.313 7.534 1.00 0.00 C ATOM 115 O ILE A 39 1.891 8.343 8.301 1.00 0.00 O ATOM 116 CB ILE A 39 -0.753 6.379 7.779 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.897 7.353 8.082 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.279 5.784 9.107 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.580 7.933 6.846 1.00 0.00 C ATOM 0 H ILE A 39 1.449 5.266 7.488 1.00 0.00 H new ATOM 0 HA ILE A 39 0.028 7.274 5.967 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.133 5.592 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.644 6.839 8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.508 8.173 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.131 5.368 9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.448 4.995 8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.184 6.564 9.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.376 8.611 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.849 8.479 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.003 7.124 6.251 1.00 0.00 H new ATOM 120 N LEU A 40 0.395 9.400 6.986 1.00 0.00 N ATOM 121 CA LEU A 40 0.423 10.710 7.661 1.00 0.00 C ATOM 122 C LEU A 40 -1.012 11.028 8.146 1.00 0.00 C ATOM 123 O LEU A 40 -1.891 11.206 7.302 1.00 0.00 O ATOM 124 CB LEU A 40 0.928 11.814 6.711 1.00 0.00 C ATOM 125 CG LEU A 40 2.311 11.499 6.137 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.650 12.560 5.081 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.406 11.434 7.205 1.00 0.00 C ATOM 0 H LEU A 40 -0.069 9.406 6.078 1.00 0.00 H new ATOM 0 HA LEU A 40 1.110 10.674 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.218 11.940 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.967 12.762 7.248 1.00 0.00 H new ATOM 0 HG LEU A 40 2.273 10.506 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.634 12.353 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.903 12.536 4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.655 13.546 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.362 11.207 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.473 12.394 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.164 10.654 7.927 1.00 0.00 H new ATOM 128 N PRO A 41 -1.281 10.822 9.440 1.00 0.00 N ATOM 129 CA PRO A 41 -2.548 11.074 10.157 1.00 0.00 C ATOM 130 C PRO A 41 -3.694 11.714 9.381 1.00 0.00 C ATOM 131 O PRO A 41 -3.751 12.910 9.110 1.00 0.00 O ATOM 132 CB PRO A 41 -2.085 11.847 11.392 1.00 0.00 C ATOM 133 CG PRO A 41 -0.749 11.180 11.731 1.00 0.00 C ATOM 134 CD PRO A 41 -0.340 10.387 10.478 1.00 0.00 C ATOM 0 HA PRO A 41 -3.055 10.137 10.388 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.964 12.910 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.798 11.763 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.005 11.925 11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.850 10.521 12.594 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.690 10.600 10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.408 9.313 10.649 1.00 0.00 H new ATOM 135 N ASP A 42 -4.597 10.800 9.037 1.00 0.00 N ATOM 136 CA ASP A 42 -5.839 10.996 8.244 1.00 0.00 C ATOM 137 C ASP A 42 -5.730 11.727 6.896 1.00 0.00 C ATOM 138 O ASP A 42 -6.717 12.240 6.371 1.00 0.00 O ATOM 139 CB ASP A 42 -6.920 11.590 9.171 1.00 0.00 C ATOM 140 CG ASP A 42 -8.330 11.308 8.665 1.00 0.00 C ATOM 141 OD1 ASP A 42 -8.658 10.112 8.490 1.00 0.00 O ATOM 142 OD2 ASP A 42 -9.108 12.274 8.524 1.00 0.00 O ATOM 0 H ASP A 42 -4.485 9.826 9.319 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.120 10.003 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.805 11.175 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.774 12.667 9.253 1.00 0.00 H new ATOM 143 N GLY A 43 -4.535 11.635 6.312 1.00 0.00 N ATOM 144 CA GLY A 43 -4.271 12.157 4.962 1.00 0.00 C ATOM 145 C GLY A 43 -3.421 11.182 4.134 1.00 0.00 C ATOM 146 O GLY A 43 -3.546 9.959 4.256 1.00 0.00 O ATOM 0 H GLY A 43 -3.725 11.200 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.216 12.340 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.757 13.116 5.036 1.00 0.00 H new ATOM 147 N THR A 44 -2.643 11.769 3.239 1.00 0.00 N ATOM 148 CA THR A 44 -1.735 11.068 2.308 1.00 0.00 C ATOM 149 C THR A 44 -0.810 10.064 3.006 1.00 0.00 C ATOM 150 O THR A 44 -0.330 10.269 4.124 1.00 0.00 O ATOM 151 CB THR A 44 -0.899 12.123 1.571 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.718 13.263 1.296 1.00 0.00 O ATOM 153 CG2 THR A 44 -0.320 11.582 0.254 1.00 0.00 C ATOM 0 H THR A 44 -2.616 12.782 3.126 1.00 0.00 H new ATOM 0 HA THR A 44 -2.345 10.488 1.616 1.00 0.00 H new ATOM 0 HB THR A 44 -0.062 12.397 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.188 13.941 0.827 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.264 12.362 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.321 10.726 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.134 11.274 -0.402 1.00 0.00 H new ATOM 154 N VAL A 45 -0.639 8.953 2.323 1.00 0.00 N ATOM 155 CA VAL A 45 0.383 7.948 2.681 1.00 0.00 C ATOM 156 C VAL A 45 1.598 8.235 1.771 1.00 0.00 C ATOM 157 O VAL A 45 1.486 8.774 0.677 1.00 0.00 O ATOM 158 CB VAL A 45 -0.161 6.528 2.468 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.804 5.398 2.817 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.445 6.313 3.284 1.00 0.00 C ATOM 0 H VAL A 45 -1.194 8.706 1.504 1.00 0.00 H new ATOM 0 HA VAL A 45 0.664 8.012 3.732 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.341 6.475 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.323 4.438 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.699 5.481 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.080 5.467 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.815 5.301 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.231 6.454 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.201 7.032 2.968 1.00 0.00 H new ATOM 161 N ASP A 46 2.769 8.002 2.345 1.00 0.00 N ATOM 162 CA ASP A 46 4.067 8.242 1.702 1.00 0.00 C ATOM 163 C ASP A 46 5.089 7.155 2.059 1.00 0.00 C ATOM 164 O ASP A 46 4.783 6.212 2.792 1.00 0.00 O ATOM 165 CB ASP A 46 4.516 9.663 2.060 1.00 0.00 C ATOM 166 CG ASP A 46 3.700 10.729 1.322 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.748 10.746 0.073 1.00 0.00 O ATOM 168 OD2 ASP A 46 2.977 11.489 2.020 1.00 0.00 O ATOM 0 H ASP A 46 2.853 7.632 3.292 1.00 0.00 H new ATOM 0 HA ASP A 46 3.977 8.176 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.419 9.813 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.572 9.782 1.815 1.00 0.00 H new ATOM 169 N GLY A 47 6.263 7.250 1.428 1.00 0.00 N ATOM 170 CA GLY A 47 7.368 6.288 1.593 1.00 0.00 C ATOM 171 C GLY A 47 8.476 6.805 2.511 1.00 0.00 C ATOM 172 O GLY A 47 9.007 7.891 2.318 1.00 0.00 O ATOM 0 H GLY A 47 6.480 8.006 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.974 5.356 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.791 6.058 0.615 1.00 0.00 H new ATOM 173 N THR A 48 8.959 5.901 3.365 1.00 0.00 N ATOM 174 CA THR A 48 10.013 6.208 4.353 1.00 0.00 C ATOM 175 C THR A 48 11.214 5.274 4.266 1.00 0.00 C ATOM 176 O THR A 48 11.089 4.062 4.427 1.00 0.00 O ATOM 177 CB THR A 48 9.469 6.276 5.792 1.00 0.00 C ATOM 178 OG1 THR A 48 10.542 6.601 6.682 1.00 0.00 O ATOM 179 CG2 THR A 48 8.773 4.990 6.273 1.00 0.00 C ATOM 0 H THR A 48 8.636 4.934 3.397 1.00 0.00 H new ATOM 0 HA THR A 48 10.370 7.203 4.086 1.00 0.00 H new ATOM 0 HB THR A 48 8.699 7.048 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.745 5.826 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.421 5.127 7.296 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.925 4.771 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.479 4.160 6.240 1.00 0.00 H new ATOM 180 N ARG A 49 12.366 5.910 4.144 1.00 0.00 N ATOM 181 CA ARG A 49 13.685 5.248 4.100 1.00 0.00 C ATOM 182 C ARG A 49 14.136 4.613 5.434 1.00 0.00 C ATOM 183 O ARG A 49 15.212 4.031 5.540 1.00 0.00 O ATOM 184 CB ARG A 49 14.747 6.239 3.602 1.00 0.00 C ATOM 185 CG ARG A 49 14.605 6.515 2.106 1.00 0.00 C ATOM 186 CD ARG A 49 14.842 5.222 1.324 1.00 0.00 C ATOM 187 NE ARG A 49 14.589 5.445 -0.115 1.00 0.00 N ATOM 188 CZ ARG A 49 15.356 4.992 -1.108 1.00 0.00 C ATOM 189 NH1 ARG A 49 16.488 4.343 -0.889 1.00 0.00 N ATOM 190 NH2 ARG A 49 15.012 5.262 -2.356 1.00 0.00 N ATOM 0 H ARG A 49 12.426 6.926 4.070 1.00 0.00 H new ATOM 0 HA ARG A 49 13.575 4.415 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.659 7.174 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.741 5.840 3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.611 6.906 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.321 7.276 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.866 4.881 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.187 4.436 1.699 1.00 0.00 H new ATOM 0 HE ARG A 49 13.763 5.988 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.802 4.173 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.047 4.012 -1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.172 5.809 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.587 4.924 -3.128 1.00 0.00 H new ATOM 191 N ASP A 50 13.313 4.827 6.455 1.00 0.00 N ATOM 192 CA ASP A 50 13.557 4.317 7.817 1.00 0.00 C ATOM 193 C ASP A 50 12.275 3.653 8.336 1.00 0.00 C ATOM 194 O ASP A 50 11.172 4.143 8.092 1.00 0.00 O ATOM 195 CB ASP A 50 13.956 5.522 8.684 1.00 0.00 C ATOM 196 CG ASP A 50 14.195 5.172 10.154 1.00 0.00 C ATOM 197 OD1 ASP A 50 14.954 4.209 10.406 1.00 0.00 O ATOM 198 OD2 ASP A 50 13.527 5.813 10.993 1.00 0.00 O ATOM 0 H ASP A 50 12.449 5.362 6.369 1.00 0.00 H new ATOM 0 HA ASP A 50 14.351 3.571 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.862 5.968 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.173 6.277 8.623 1.00 0.00 H new ATOM 199 N ARG A 51 12.460 2.664 9.202 1.00 0.00 N ATOM 200 CA ARG A 51 11.340 1.953 9.838 1.00 0.00 C ATOM 201 C ARG A 51 10.751 2.753 11.015 1.00 0.00 C ATOM 202 O ARG A 51 10.787 2.349 12.187 1.00 0.00 O ATOM 203 CB ARG A 51 11.835 0.567 10.265 1.00 0.00 C ATOM 204 CG ARG A 51 10.674 -0.393 10.468 1.00 0.00 C ATOM 205 CD ARG A 51 11.134 -1.624 11.242 1.00 0.00 C ATOM 206 NE ARG A 51 11.072 -1.357 12.692 1.00 0.00 N ATOM 207 CZ ARG A 51 10.398 -2.086 13.576 1.00 0.00 C ATOM 208 NH1 ARG A 51 9.685 -3.148 13.226 1.00 0.00 N ATOM 209 NH2 ARG A 51 10.397 -1.748 14.859 1.00 0.00 N ATOM 0 H ARG A 51 13.380 2.329 9.486 1.00 0.00 H new ATOM 0 HA ARG A 51 10.522 1.839 9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.510 0.170 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.407 0.651 11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.871 0.106 11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.268 -0.693 9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.503 -2.478 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.152 -1.886 10.955 1.00 0.00 H new ATOM 0 HE ARG A 51 11.587 -0.550 13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.640 -3.432 12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.182 -3.681 13.935 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.915 -0.926 15.170 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.879 -2.310 15.534 1.00 0.00 H new ATOM 210 N SER A 52 10.158 3.883 10.654 1.00 0.00 N ATOM 211 CA SER A 52 9.393 4.769 11.552 1.00 0.00 C ATOM 212 C SER A 52 7.999 4.182 11.795 1.00 0.00 C ATOM 213 O SER A 52 6.935 4.685 11.402 1.00 0.00 O ATOM 214 CB SER A 52 9.343 6.205 11.028 1.00 0.00 C ATOM 215 OG SER A 52 9.047 6.228 9.621 1.00 0.00 O ATOM 0 H SER A 52 10.192 4.230 9.695 1.00 0.00 H new ATOM 0 HA SER A 52 9.907 4.823 12.512 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.585 6.769 11.572 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.299 6.696 11.211 1.00 0.00 H new ATOM 0 HG SER A 52 9.873 6.381 9.115 1.00 0.00 H new ATOM 216 N ASP A 53 8.096 3.015 12.412 1.00 0.00 N ATOM 217 CA ASP A 53 6.977 2.105 12.778 1.00 0.00 C ATOM 218 C ASP A 53 5.874 2.671 13.683 1.00 0.00 C ATOM 219 O ASP A 53 4.950 1.964 14.095 1.00 0.00 O ATOM 220 CB ASP A 53 7.555 0.786 13.307 1.00 0.00 C ATOM 221 CG ASP A 53 8.249 0.910 14.671 1.00 0.00 C ATOM 222 OD1 ASP A 53 9.369 1.480 14.694 1.00 0.00 O ATOM 223 OD2 ASP A 53 7.621 0.517 15.669 1.00 0.00 O ATOM 0 H ASP A 53 9.001 2.639 12.695 1.00 0.00 H new ATOM 0 HA ASP A 53 6.425 1.943 11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.751 0.054 13.385 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.270 0.398 12.581 1.00 0.00 H new ATOM 224 N GLN A 54 6.070 3.930 14.057 1.00 0.00 N ATOM 225 CA GLN A 54 5.075 4.774 14.749 1.00 0.00 C ATOM 226 C GLN A 54 3.872 5.113 13.839 1.00 0.00 C ATOM 227 O GLN A 54 2.842 5.588 14.289 1.00 0.00 O ATOM 228 CB GLN A 54 5.754 6.077 15.171 1.00 0.00 C ATOM 229 CG GLN A 54 6.821 5.883 16.258 1.00 0.00 C ATOM 230 CD GLN A 54 8.114 5.232 15.724 1.00 0.00 C ATOM 231 OE1 GLN A 54 8.558 5.467 14.612 1.00 0.00 O ATOM 232 NE2 GLN A 54 8.682 4.311 16.462 1.00 0.00 N ATOM 0 H GLN A 54 6.950 4.417 13.886 1.00 0.00 H new ATOM 0 HA GLN A 54 4.700 4.222 15.611 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.215 6.537 14.297 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.997 6.772 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.063 6.850 16.699 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.411 5.263 17.055 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.318 4.107 17.393 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.488 3.798 16.106 1.00 0.00 H new ATOM 233 N HIS A 55 4.160 5.081 12.537 1.00 0.00 N ATOM 234 CA HIS A 55 3.188 5.248 11.433 1.00 0.00 C ATOM 235 C HIS A 55 3.077 4.002 10.539 1.00 0.00 C ATOM 236 O HIS A 55 1.987 3.629 10.107 1.00 0.00 O ATOM 237 CB HIS A 55 3.576 6.463 10.589 1.00 0.00 C ATOM 238 CG HIS A 55 3.446 7.857 11.242 1.00 0.00 C ATOM 239 ND1 HIS A 55 3.542 9.000 10.576 1.00 0.00 N ATOM 240 CD2 HIS A 55 3.156 8.166 12.509 1.00 0.00 C ATOM 241 CE1 HIS A 55 3.325 10.012 11.409 1.00 0.00 C ATOM 242 NE2 HIS A 55 3.070 9.490 12.600 1.00 0.00 N ATOM 0 H HIS A 55 5.111 4.933 12.200 1.00 0.00 H new ATOM 0 HA HIS A 55 2.208 5.399 11.886 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.611 6.335 10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.963 6.456 9.687 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.750 9.088 9.581 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.016 7.464 13.318 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.351 11.063 11.162 1.00 0.00 H new ATOM 243 N ILE A 56 4.207 3.357 10.252 1.00 0.00 N ATOM 244 CA ILE A 56 4.284 2.106 9.492 1.00 0.00 C ATOM 245 C ILE A 56 4.123 0.880 10.399 1.00 0.00 C ATOM 246 O ILE A 56 5.061 0.319 10.965 1.00 0.00 O ATOM 247 CB ILE A 56 5.484 2.040 8.517 1.00 0.00 C ATOM 248 CG1 ILE A 56 5.625 0.678 7.837 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.821 2.534 9.047 1.00 0.00 C ATOM 250 CD1 ILE A 56 4.480 0.453 6.859 1.00 0.00 C ATOM 0 H ILE A 56 5.121 3.698 10.549 1.00 0.00 H new ATOM 0 HA ILE A 56 3.423 2.090 8.823 1.00 0.00 H new ATOM 0 HB ILE A 56 5.208 2.778 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.578 0.624 7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.631 -0.112 8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.579 2.436 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.733 3.581 9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.111 1.940 9.914 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.594 -0.521 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.532 0.486 7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.493 1.233 6.098 1.00 0.00 H new ATOM 251 N GLN A 57 2.847 0.732 10.711 1.00 0.00 N ATOM 252 CA GLN A 57 2.265 -0.398 11.446 1.00 0.00 C ATOM 253 C GLN A 57 0.847 -0.578 10.896 1.00 0.00 C ATOM 254 O GLN A 57 0.043 0.343 10.946 1.00 0.00 O ATOM 255 CB GLN A 57 2.200 -0.055 12.935 1.00 0.00 C ATOM 256 CG GLN A 57 2.410 -1.283 13.829 1.00 0.00 C ATOM 257 CD GLN A 57 3.856 -1.768 13.756 1.00 0.00 C ATOM 258 OE1 GLN A 57 4.208 -2.698 13.036 1.00 0.00 O ATOM 259 NE2 GLN A 57 4.725 -1.146 14.514 1.00 0.00 N ATOM 0 H GLN A 57 2.147 1.426 10.450 1.00 0.00 H new ATOM 0 HA GLN A 57 2.857 -1.305 11.328 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.959 0.693 13.166 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.232 0.393 13.160 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.157 -1.035 14.860 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.738 -2.083 13.519 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.423 -0.374 15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.704 -1.433 14.509 1.00 0.00 H new ATOM 260 N LEU A 58 0.700 -1.664 10.140 1.00 0.00 N ATOM 261 CA LEU A 58 -0.529 -1.962 9.395 1.00 0.00 C ATOM 262 C LEU A 58 -1.162 -3.320 9.718 1.00 0.00 C ATOM 263 O LEU A 58 -0.555 -4.168 10.378 1.00 0.00 O ATOM 264 CB LEU A 58 -0.285 -1.772 7.888 1.00 0.00 C ATOM 265 CG LEU A 58 0.820 -2.673 7.312 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.229 -3.828 6.514 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.688 -1.807 6.394 1.00 0.00 C ATOM 0 H LEU A 58 1.430 -2.367 10.024 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.277 -1.244 9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.214 -1.968 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.023 -0.730 7.702 1.00 0.00 H new ATOM 0 HG LEU A 58 1.407 -3.100 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.034 -4.447 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.407 -4.430 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.364 -3.434 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.485 -2.415 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.074 -1.398 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.124 -0.990 6.970 1.00 0.00 H new ATOM 268 N GLN A 59 -2.450 -3.396 9.407 1.00 0.00 N ATOM 269 CA GLN A 59 -3.234 -4.645 9.546 1.00 0.00 C ATOM 270 C GLN A 59 -3.710 -5.072 8.160 1.00 0.00 C ATOM 271 O GLN A 59 -4.242 -4.255 7.414 1.00 0.00 O ATOM 272 CB GLN A 59 -4.480 -4.407 10.411 1.00 0.00 C ATOM 273 CG GLN A 59 -4.751 -5.513 11.432 1.00 0.00 C ATOM 274 CD GLN A 59 -4.973 -6.913 10.821 1.00 0.00 C ATOM 275 OE1 GLN A 59 -4.043 -7.654 10.533 1.00 0.00 O ATOM 276 NE2 GLN A 59 -6.207 -7.296 10.613 1.00 0.00 N ATOM 0 H GLN A 59 -2.990 -2.606 9.052 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.605 -5.405 10.010 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.368 -3.460 10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.348 -4.308 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.911 -5.563 12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.631 -5.242 12.016 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.981 -6.677 10.854 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.395 -8.214 10.210 1.00 0.00 H new ATOM 277 N LEU A 60 -3.478 -6.335 7.818 1.00 0.00 N ATOM 278 CA LEU A 60 -4.037 -6.900 6.583 1.00 0.00 C ATOM 279 C LEU A 60 -5.368 -7.588 6.856 1.00 0.00 C ATOM 280 O LEU A 60 -5.499 -8.811 6.942 1.00 0.00 O ATOM 281 CB LEU A 60 -3.019 -7.854 5.930 1.00 0.00 C ATOM 282 CG LEU A 60 -1.773 -7.123 5.428 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.633 -8.121 5.240 1.00 0.00 C ATOM 284 CD2 LEU A 60 -2.038 -6.359 4.121 1.00 0.00 C ATOM 0 H LEU A 60 -2.915 -6.984 8.367 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.235 -6.091 5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.724 -8.615 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.493 -8.372 5.096 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.493 -6.384 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.254 -7.597 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.410 -8.603 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.927 -8.876 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.125 -5.855 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.355 -7.059 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.822 -5.620 4.284 1.00 0.00 H new ATOM 285 N SER A 61 -6.396 -6.743 6.834 1.00 0.00 N ATOM 286 CA SER A 61 -7.721 -7.111 7.348 1.00 0.00 C ATOM 287 C SER A 61 -8.721 -7.427 6.223 1.00 0.00 C ATOM 288 O SER A 61 -9.446 -6.575 5.716 1.00 0.00 O ATOM 289 CB SER A 61 -8.195 -5.977 8.260 1.00 0.00 C ATOM 290 OG SER A 61 -9.296 -6.434 9.061 1.00 0.00 O ATOM 0 H SER A 61 -6.340 -5.794 6.465 1.00 0.00 H new ATOM 0 HA SER A 61 -7.653 -8.037 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.378 -5.646 8.901 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.499 -5.118 7.662 1.00 0.00 H new ATOM 0 HG SER A 61 -9.598 -5.708 9.646 1.00 0.00 H new ATOM 291 N ALA A 62 -8.393 -8.548 5.614 1.00 0.00 N ATOM 292 CA ALA A 62 -9.192 -9.210 4.568 1.00 0.00 C ATOM 293 C ALA A 62 -10.686 -9.326 4.864 1.00 0.00 C ATOM 294 O ALA A 62 -11.118 -9.947 5.830 1.00 0.00 O ATOM 295 CB ALA A 62 -8.586 -10.595 4.301 1.00 0.00 C ATOM 0 H ALA A 62 -7.534 -9.052 5.832 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.142 -8.571 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.164 -11.102 3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.554 -10.483 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.609 -11.185 5.217 1.00 0.00 H new ATOM 296 N GLU A 63 -11.428 -8.566 4.060 1.00 0.00 N ATOM 297 CA GLU A 63 -12.902 -8.660 3.982 1.00 0.00 C ATOM 298 C GLU A 63 -13.330 -10.018 3.399 1.00 0.00 C ATOM 299 O GLU A 63 -14.415 -10.549 3.658 1.00 0.00 O ATOM 300 CB GLU A 63 -13.386 -7.524 3.085 1.00 0.00 C ATOM 301 CG GLU A 63 -14.905 -7.373 3.097 1.00 0.00 C ATOM 302 CD GLU A 63 -15.358 -6.208 2.212 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.363 -5.068 2.721 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.644 -6.468 1.015 1.00 0.00 O ATOM 0 H GLU A 63 -11.031 -7.862 3.438 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.339 -8.579 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.929 -6.589 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.051 -7.704 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.367 -8.297 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.248 -7.210 4.119 1.00 0.00 H new ATOM 305 N SER A 64 -12.455 -10.467 2.511 1.00 0.00 N ATOM 306 CA SER A 64 -12.522 -11.715 1.739 1.00 0.00 C ATOM 307 C SER A 64 -11.072 -12.062 1.386 1.00 0.00 C ATOM 308 O SER A 64 -10.153 -11.272 1.604 1.00 0.00 O ATOM 309 CB SER A 64 -13.377 -11.469 0.484 1.00 0.00 C ATOM 310 OG SER A 64 -13.486 -12.669 -0.297 1.00 0.00 O ATOM 0 H SER A 64 -11.614 -9.934 2.289 1.00 0.00 H new ATOM 0 HA SER A 64 -12.981 -12.538 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.370 -11.127 0.775 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.931 -10.677 -0.117 1.00 0.00 H new ATOM 0 HG SER A 64 -13.676 -13.428 0.294 1.00 0.00 H new ATOM 311 N VAL A 65 -10.921 -13.156 0.644 1.00 0.00 N ATOM 312 CA VAL A 65 -9.650 -13.783 0.278 1.00 0.00 C ATOM 313 C VAL A 65 -8.935 -13.107 -0.904 1.00 0.00 C ATOM 314 O VAL A 65 -8.965 -13.552 -2.043 1.00 0.00 O ATOM 315 CB VAL A 65 -9.862 -15.290 0.069 1.00 0.00 C ATOM 316 CG1 VAL A 65 -9.989 -15.986 1.429 1.00 0.00 C ATOM 317 CG2 VAL A 65 -11.046 -15.655 -0.851 1.00 0.00 C ATOM 0 H VAL A 65 -11.723 -13.657 0.261 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.961 -13.639 1.111 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.980 -15.650 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.139 -17.055 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.078 -15.826 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.840 -15.573 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.117 -16.739 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.971 -15.264 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.887 -15.220 -1.838 1.00 0.00 H new ATOM 318 N GLY A 66 -8.545 -11.877 -0.589 1.00 0.00 N ATOM 319 CA GLY A 66 -7.748 -11.026 -1.498 1.00 0.00 C ATOM 320 C GLY A 66 -7.781 -9.572 -1.045 1.00 0.00 C ATOM 321 O GLY A 66 -6.782 -9.004 -0.617 1.00 0.00 O ATOM 0 H GLY A 66 -8.767 -11.431 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.717 -11.380 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.138 -11.105 -2.513 1.00 0.00 H new ATOM 322 N GLU A 67 -8.956 -8.989 -1.258 1.00 0.00 N ATOM 323 CA GLU A 67 -9.262 -7.594 -0.907 1.00 0.00 C ATOM 324 C GLU A 67 -9.186 -7.327 0.609 1.00 0.00 C ATOM 325 O GLU A 67 -10.065 -7.665 1.402 1.00 0.00 O ATOM 326 CB GLU A 67 -10.567 -7.089 -1.555 1.00 0.00 C ATOM 327 CG GLU A 67 -11.873 -7.806 -1.160 1.00 0.00 C ATOM 328 CD GLU A 67 -12.231 -8.989 -2.057 1.00 0.00 C ATOM 329 OE1 GLU A 67 -11.501 -10.005 -1.964 1.00 0.00 O ATOM 330 OE2 GLU A 67 -13.262 -8.890 -2.755 1.00 0.00 O ATOM 0 H GLU A 67 -9.742 -9.477 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.468 -6.990 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.676 -6.031 -1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.456 -7.160 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.785 -8.157 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.691 -7.086 -1.183 1.00 0.00 H new ATOM 331 N VAL A 68 -7.986 -6.867 0.954 1.00 0.00 N ATOM 332 CA VAL A 68 -7.588 -6.547 2.341 1.00 0.00 C ATOM 333 C VAL A 68 -7.778 -5.050 2.621 1.00 0.00 C ATOM 334 O VAL A 68 -7.519 -4.200 1.769 1.00 0.00 O ATOM 335 CB VAL A 68 -6.162 -6.995 2.713 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.999 -8.510 2.713 1.00 0.00 C ATOM 337 CG2 VAL A 68 -5.060 -6.353 1.859 1.00 0.00 C ATOM 0 H VAL A 68 -7.244 -6.700 0.274 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.251 -7.129 2.981 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.033 -6.631 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.974 -8.766 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.685 -8.950 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.221 -8.900 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.087 -6.721 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.214 -6.612 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.095 -5.270 1.974 1.00 0.00 H new ATOM 338 N TYR A 69 -8.298 -4.810 3.810 1.00 0.00 N ATOM 339 CA TYR A 69 -8.408 -3.463 4.411 1.00 0.00 C ATOM 340 C TYR A 69 -7.151 -3.208 5.252 1.00 0.00 C ATOM 341 O TYR A 69 -6.946 -3.839 6.295 1.00 0.00 O ATOM 342 CB TYR A 69 -9.618 -3.353 5.338 1.00 0.00 C ATOM 343 CG TYR A 69 -10.956 -3.274 4.616 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.184 -2.163 3.770 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.019 -4.096 5.058 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.492 -1.838 3.401 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.340 -3.769 4.685 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.555 -2.635 3.863 1.00 0.00 C ATOM 349 OH TYR A 69 -14.822 -2.205 3.615 1.00 0.00 O ATOM 0 H TYR A 69 -8.667 -5.549 4.409 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.518 -2.738 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.629 -4.215 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.503 -2.467 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.354 -1.571 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.822 -4.962 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.685 -0.984 2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.171 -4.372 5.020 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.358 -2.949 3.269 1.00 0.00 H new ATOM 350 N ILE A 70 -6.263 -2.418 4.687 1.00 0.00 N ATOM 351 CA ILE A 70 -4.988 -2.116 5.368 1.00 0.00 C ATOM 352 C ILE A 70 -5.146 -0.962 6.362 1.00 0.00 C ATOM 353 O ILE A 70 -5.000 0.217 6.062 1.00 0.00 O ATOM 354 CB ILE A 70 -3.872 -1.876 4.319 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.803 -3.041 3.317 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.518 -1.632 4.997 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.917 -2.816 2.082 1.00 0.00 C ATOM 0 H ILE A 70 -6.381 -1.973 3.777 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.686 -2.976 5.965 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.121 -0.974 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.442 -3.925 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.815 -3.263 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.755 -1.467 4.237 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.586 -0.754 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.250 -2.501 5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.945 -3.702 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.285 -1.957 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.891 -2.629 2.399 1.00 0.00 H new ATOM 358 N LYS A 71 -5.565 -1.383 7.543 1.00 0.00 N ATOM 359 CA LYS A 71 -5.792 -0.491 8.691 1.00 0.00 C ATOM 360 C LYS A 71 -4.438 -0.283 9.377 1.00 0.00 C ATOM 361 O LYS A 71 -3.890 -1.183 9.997 1.00 0.00 O ATOM 362 CB LYS A 71 -6.760 -1.203 9.614 1.00 0.00 C ATOM 363 CG LYS A 71 -7.342 -0.248 10.663 1.00 0.00 C ATOM 364 CD LYS A 71 -6.767 -0.451 12.070 1.00 0.00 C ATOM 365 CE LYS A 71 -7.241 -1.752 12.719 1.00 0.00 C ATOM 366 NZ LYS A 71 -6.478 -1.965 13.954 1.00 0.00 N ATOM 0 H LYS A 71 -5.762 -2.363 7.745 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.203 0.477 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.569 -1.639 9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.249 -2.026 10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.156 0.779 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.423 -0.379 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.678 -0.452 12.016 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.054 0.390 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.307 -1.699 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.097 -2.589 12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.039 -2.908 13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.737 -1.240 14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.116 -1.899 14.772 1.00 0.00 H new ATOM 367 N SER A 72 -3.949 0.941 9.275 1.00 0.00 N ATOM 368 CA SER A 72 -2.652 1.335 9.842 1.00 0.00 C ATOM 369 C SER A 72 -2.763 1.621 11.353 1.00 0.00 C ATOM 370 O SER A 72 -3.030 2.731 11.795 1.00 0.00 O ATOM 371 CB SER A 72 -1.983 2.435 9.032 1.00 0.00 C ATOM 372 OG SER A 72 -2.810 3.596 8.927 1.00 0.00 O ATOM 0 H SER A 72 -4.435 1.699 8.796 1.00 0.00 H new ATOM 0 HA SER A 72 -1.971 0.488 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.036 2.705 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.752 2.062 8.034 1.00 0.00 H new ATOM 0 HG SER A 72 -3.603 3.385 8.391 1.00 0.00 H new ATOM 373 N THR A 73 -3.006 0.484 11.994 1.00 0.00 N ATOM 374 CA THR A 73 -3.139 0.228 13.450 1.00 0.00 C ATOM 375 C THR A 73 -2.596 1.277 14.434 1.00 0.00 C ATOM 376 O THR A 73 -3.233 1.568 15.441 1.00 0.00 O ATOM 377 CB THR A 73 -2.535 -1.132 13.845 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.121 -1.118 13.626 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.179 -2.286 13.085 1.00 0.00 C ATOM 0 H THR A 73 -3.130 -0.379 11.465 1.00 0.00 H new ATOM 0 HA THR A 73 -4.223 0.265 13.559 1.00 0.00 H new ATOM 0 HB THR A 73 -2.737 -1.291 14.904 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.742 -1.985 13.880 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.722 -3.226 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.247 -2.313 13.301 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.029 -2.146 12.015 1.00 0.00 H new ATOM 380 N GLU A 74 -1.465 1.883 14.072 1.00 0.00 N ATOM 381 CA GLU A 74 -0.788 2.913 14.881 1.00 0.00 C ATOM 382 C GLU A 74 -1.560 4.228 15.023 1.00 0.00 C ATOM 383 O GLU A 74 -1.514 4.881 16.064 1.00 0.00 O ATOM 384 CB GLU A 74 0.606 3.175 14.342 1.00 0.00 C ATOM 385 CG GLU A 74 1.625 2.565 15.302 1.00 0.00 C ATOM 386 CD GLU A 74 1.574 3.147 16.721 1.00 0.00 C ATOM 387 OE1 GLU A 74 2.228 4.192 16.935 1.00 0.00 O ATOM 388 OE2 GLU A 74 0.977 2.463 17.593 1.00 0.00 O ATOM 0 H GLU A 74 -0.982 1.674 13.198 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.733 2.500 15.888 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.715 2.740 13.349 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.777 4.247 14.241 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.459 1.489 15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.625 2.713 14.896 1.00 0.00 H new ATOM 389 N THR A 75 -2.227 4.598 13.935 1.00 0.00 N ATOM 390 CA THR A 75 -3.121 5.764 13.864 1.00 0.00 C ATOM 391 C THR A 75 -4.596 5.339 13.826 1.00 0.00 C ATOM 392 O THR A 75 -5.495 6.143 14.096 1.00 0.00 O ATOM 393 CB THR A 75 -2.862 6.580 12.596 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.013 5.753 11.438 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.491 7.281 12.621 1.00 0.00 C ATOM 0 H THR A 75 -2.164 4.088 13.054 1.00 0.00 H new ATOM 0 HA THR A 75 -2.918 6.357 14.755 1.00 0.00 H new ATOM 0 HB THR A 75 -3.607 7.374 12.553 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.966 5.642 11.237 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.355 7.847 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.444 7.959 13.473 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.702 6.534 12.708 1.00 0.00 H new ATOM 396 N GLY A 76 -4.791 4.114 13.354 1.00 0.00 N ATOM 397 CA GLY A 76 -6.094 3.486 13.072 1.00 0.00 C ATOM 398 C GLY A 76 -6.687 3.918 11.723 1.00 0.00 C ATOM 399 O GLY A 76 -7.902 4.072 11.608 1.00 0.00 O ATOM 0 H GLY A 76 -4.010 3.492 13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.979 2.402 13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.794 3.740 13.868 1.00 0.00 H new ATOM 400 N GLN A 77 -5.841 4.085 10.696 1.00 0.00 N ATOM 401 CA GLN A 77 -6.306 4.525 9.373 1.00 0.00 C ATOM 402 C GLN A 77 -6.270 3.467 8.251 1.00 0.00 C ATOM 403 O GLN A 77 -5.208 2.961 7.891 1.00 0.00 O ATOM 404 CB GLN A 77 -5.617 5.802 8.883 1.00 0.00 C ATOM 405 CG GLN A 77 -6.364 7.058 9.335 1.00 0.00 C ATOM 406 CD GLN A 77 -5.692 7.723 10.544 1.00 0.00 C ATOM 407 OE1 GLN A 77 -4.653 8.356 10.429 1.00 0.00 O ATOM 408 NE2 GLN A 77 -6.296 7.593 11.690 1.00 0.00 N ATOM 0 H GLN A 77 -4.836 3.923 10.756 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.359 4.727 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.595 5.831 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.555 5.787 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.411 7.769 8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.391 6.797 9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.162 7.058 11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.903 8.026 12.526 1.00 0.00 H new ATOM 409 N TYR A 78 -7.397 3.411 7.564 1.00 0.00 N ATOM 410 CA TYR A 78 -7.679 2.463 6.461 1.00 0.00 C ATOM 411 C TYR A 78 -7.118 2.983 5.134 1.00 0.00 C ATOM 412 O TYR A 78 -7.612 3.962 4.560 1.00 0.00 O ATOM 413 CB TYR A 78 -9.189 2.258 6.334 1.00 0.00 C ATOM 414 CG TYR A 78 -9.807 1.542 7.541 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.144 2.301 8.686 1.00 0.00 C ATOM 416 CD2 TYR A 78 -9.959 0.137 7.492 1.00 0.00 C ATOM 417 CE1 TYR A 78 -10.625 1.631 9.819 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.454 -0.531 8.623 1.00 0.00 C ATOM 419 CZ TYR A 78 -10.765 0.228 9.783 1.00 0.00 C ATOM 420 OH TYR A 78 -11.175 -0.427 10.907 1.00 0.00 O ATOM 0 H TYR A 78 -8.178 4.039 7.753 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.195 1.514 6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.671 3.228 6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.396 1.681 5.433 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.033 3.375 8.687 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.699 -0.413 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.886 2.183 10.710 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.596 -1.602 8.612 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.225 -1.389 10.725 1.00 0.00 H new ATOM 421 N LEU A 79 -6.008 2.364 4.739 1.00 0.00 N ATOM 422 CA LEU A 79 -5.325 2.646 3.466 1.00 0.00 C ATOM 423 C LEU A 79 -6.305 2.491 2.316 1.00 0.00 C ATOM 424 O LEU A 79 -7.077 1.539 2.287 1.00 0.00 O ATOM 425 CB LEU A 79 -4.209 1.595 3.372 1.00 0.00 C ATOM 426 CG LEU A 79 -3.081 2.054 2.459 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.046 2.780 3.312 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.416 0.872 1.761 1.00 0.00 C ATOM 0 H LEU A 79 -5.548 1.644 5.295 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.928 3.660 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.813 1.394 4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.622 0.658 2.998 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.490 2.711 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.226 3.119 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.511 3.639 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.660 2.101 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.615 1.234 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.003 0.194 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.155 0.342 1.159 1.00 0.00 H new ATOM 429 N ALA A 80 -6.290 3.499 1.458 1.00 0.00 N ATOM 430 CA ALA A 80 -7.310 3.645 0.415 1.00 0.00 C ATOM 431 C ALA A 80 -6.787 4.400 -0.803 1.00 0.00 C ATOM 432 O ALA A 80 -6.084 5.403 -0.663 1.00 0.00 O ATOM 433 CB ALA A 80 -8.486 4.413 1.007 1.00 0.00 C ATOM 0 H ALA A 80 -5.583 4.234 1.458 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.605 2.650 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.260 4.535 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.892 3.860 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.148 5.394 1.342 1.00 0.00 H new ATOM 434 N MET A 81 -7.146 3.892 -1.969 1.00 0.00 N ATOM 435 CA MET A 81 -6.761 4.554 -3.227 1.00 0.00 C ATOM 436 C MET A 81 -7.921 5.353 -3.805 1.00 0.00 C ATOM 437 O MET A 81 -9.048 4.899 -3.959 1.00 0.00 O ATOM 438 CB MET A 81 -6.279 3.500 -4.238 1.00 0.00 C ATOM 439 CG MET A 81 -5.604 4.178 -5.439 1.00 0.00 C ATOM 440 SD MET A 81 -5.373 3.109 -6.914 1.00 0.00 S ATOM 441 CE MET A 81 -4.222 1.881 -6.336 1.00 0.00 C ATOM 0 H MET A 81 -7.694 3.039 -2.083 1.00 0.00 H new ATOM 0 HA MET A 81 -5.950 5.251 -3.018 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.578 2.819 -3.756 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.123 2.901 -4.578 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.199 5.044 -5.728 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.629 4.551 -5.124 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.257 2.030 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.104 1.972 -5.256 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.599 0.887 -6.577 1.00 0.00 H new ATOM 442 N ASP A 82 -7.626 6.644 -3.937 1.00 0.00 N ATOM 443 CA ASP A 82 -8.436 7.561 -4.744 1.00 0.00 C ATOM 444 C ASP A 82 -8.102 7.261 -6.215 1.00 0.00 C ATOM 445 O ASP A 82 -6.949 7.047 -6.557 1.00 0.00 O ATOM 446 CB ASP A 82 -8.074 9.000 -4.350 1.00 0.00 C ATOM 447 CG ASP A 82 -8.759 10.051 -5.210 1.00 0.00 C ATOM 448 OD1 ASP A 82 -9.970 10.269 -4.992 1.00 0.00 O ATOM 449 OD2 ASP A 82 -8.075 10.503 -6.151 1.00 0.00 O ATOM 0 H ASP A 82 -6.822 7.085 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.507 7.437 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.344 9.162 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.994 9.128 -4.423 1.00 0.00 H new ATOM 450 N THR A 83 -9.128 7.415 -7.046 1.00 0.00 N ATOM 451 CA THR A 83 -9.114 7.188 -8.512 1.00 0.00 C ATOM 452 C THR A 83 -8.380 8.226 -9.359 1.00 0.00 C ATOM 453 O THR A 83 -8.692 8.507 -10.517 1.00 0.00 O ATOM 454 CB THR A 83 -10.542 6.993 -9.033 1.00 0.00 C ATOM 455 OG1 THR A 83 -11.298 8.185 -8.800 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.237 5.796 -8.370 1.00 0.00 C ATOM 0 H THR A 83 -10.044 7.716 -6.712 1.00 0.00 H new ATOM 0 HA THR A 83 -8.522 6.281 -8.633 1.00 0.00 H new ATOM 0 HB THR A 83 -10.485 6.787 -10.102 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.211 8.064 -9.134 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.246 5.695 -8.769 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.672 4.887 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.287 5.955 -7.293 1.00 0.00 H new ATOM 457 N ASP A 84 -7.355 8.750 -8.708 1.00 0.00 N ATOM 458 CA ASP A 84 -6.244 9.508 -9.303 1.00 0.00 C ATOM 459 C ASP A 84 -4.881 8.942 -8.876 1.00 0.00 C ATOM 460 O ASP A 84 -3.842 9.578 -9.050 1.00 0.00 O ATOM 461 CB ASP A 84 -6.331 10.972 -8.864 1.00 0.00 C ATOM 462 CG ASP A 84 -7.445 11.730 -9.596 1.00 0.00 C ATOM 463 OD1 ASP A 84 -7.198 12.134 -10.748 1.00 0.00 O ATOM 464 OD2 ASP A 84 -8.528 11.879 -8.979 1.00 0.00 O ATOM 0 H ASP A 84 -7.262 8.659 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.328 9.427 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.508 11.018 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.376 11.463 -9.051 1.00 0.00 H new ATOM 465 N GLY A 85 -4.919 7.719 -8.353 1.00 0.00 N ATOM 466 CA GLY A 85 -3.789 7.057 -7.681 1.00 0.00 C ATOM 467 C GLY A 85 -3.215 7.845 -6.496 1.00 0.00 C ATOM 468 O GLY A 85 -2.010 7.840 -6.267 1.00 0.00 O ATOM 0 H GLY A 85 -5.758 7.139 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.113 6.077 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.996 6.888 -8.409 1.00 0.00 H new ATOM 469 N LEU A 86 -4.134 8.329 -5.679 1.00 0.00 N ATOM 470 CA LEU A 86 -3.753 9.094 -4.476 1.00 0.00 C ATOM 471 C LEU A 86 -4.157 8.222 -3.292 1.00 0.00 C ATOM 472 O LEU A 86 -5.324 7.895 -3.096 1.00 0.00 O ATOM 473 CB LEU A 86 -4.452 10.453 -4.450 1.00 0.00 C ATOM 474 CG LEU A 86 -3.801 11.386 -3.422 1.00 0.00 C ATOM 475 CD1 LEU A 86 -3.908 12.826 -3.923 1.00 0.00 C ATOM 476 CD2 LEU A 86 -4.395 11.248 -2.018 1.00 0.00 C ATOM 0 H LEU A 86 -5.139 8.215 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.685 9.313 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.407 10.908 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.506 10.319 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.754 11.097 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.448 13.498 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.395 12.917 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.958 13.091 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.890 11.936 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.459 11.484 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.260 10.226 -1.665 1.00 0.00 H new ATOM 477 N LEU A 87 -3.109 7.605 -2.759 1.00 0.00 N ATOM 478 CA LEU A 87 -3.251 6.767 -1.565 1.00 0.00 C ATOM 479 C LEU A 87 -3.136 7.586 -0.293 1.00 0.00 C ATOM 480 O LEU A 87 -2.167 8.273 0.010 1.00 0.00 O ATOM 481 CB LEU A 87 -2.176 5.683 -1.602 1.00 0.00 C ATOM 482 CG LEU A 87 -2.407 4.537 -0.623 1.00 0.00 C ATOM 483 CD1 LEU A 87 -3.448 3.563 -1.172 1.00 0.00 C ATOM 484 CD2 LEU A 87 -1.094 3.776 -0.408 1.00 0.00 C ATOM 0 H LEU A 87 -2.159 7.665 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.242 6.313 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.121 5.277 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.209 6.139 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.764 4.955 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.599 2.752 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.390 4.088 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.098 3.153 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.259 2.957 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.745 3.376 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.343 4.454 -0.003 1.00 0.00 H new ATOM 485 N TYR A 88 -4.231 7.394 0.401 1.00 0.00 N ATOM 486 CA TYR A 88 -4.569 8.084 1.652 1.00 0.00 C ATOM 487 C TYR A 88 -5.035 7.116 2.753 1.00 0.00 C ATOM 488 O TYR A 88 -5.483 6.013 2.464 1.00 0.00 O ATOM 489 CB TYR A 88 -5.608 9.190 1.408 1.00 0.00 C ATOM 490 CG TYR A 88 -6.960 8.683 0.894 1.00 0.00 C ATOM 491 CD1 TYR A 88 -7.117 8.431 -0.493 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.998 8.453 1.811 1.00 0.00 C ATOM 493 CE1 TYR A 88 -8.336 7.909 -0.957 1.00 0.00 C ATOM 494 CE2 TYR A 88 -9.215 7.927 1.339 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.366 7.648 -0.032 1.00 0.00 C ATOM 496 OH TYR A 88 -10.439 6.898 -0.409 1.00 0.00 O ATOM 0 H TYR A 88 -4.948 6.730 0.111 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.652 8.549 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.767 9.734 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.202 9.901 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.311 8.637 -1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.865 8.676 2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.481 7.710 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.028 7.739 2.025 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.623 7.045 -1.360 1.00 0.00 H new ATOM 497 N GLY A 89 -4.969 7.605 3.988 1.00 0.00 N ATOM 498 CA GLY A 89 -5.424 6.864 5.175 1.00 0.00 C ATOM 499 C GLY A 89 -6.783 7.421 5.611 1.00 0.00 C ATOM 500 O GLY A 89 -6.884 8.567 6.059 1.00 0.00 O ATOM 0 H GLY A 89 -4.598 8.531 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.507 5.801 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.699 6.962 5.983 1.00 0.00 H new ATOM 501 N SER A 90 -7.790 6.586 5.416 1.00 0.00 N ATOM 502 CA SER A 90 -9.192 6.948 5.677 1.00 0.00 C ATOM 503 C SER A 90 -9.742 6.424 6.985 1.00 0.00 C ATOM 504 O SER A 90 -9.300 5.441 7.588 1.00 0.00 O ATOM 505 CB SER A 90 -10.018 6.472 4.481 1.00 0.00 C ATOM 506 OG SER A 90 -10.211 5.056 4.501 1.00 0.00 O ATOM 0 H SER A 90 -7.668 5.634 5.072 1.00 0.00 H new ATOM 0 HA SER A 90 -9.251 8.030 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.987 6.971 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.517 6.758 3.556 1.00 0.00 H new ATOM 0 HG SER A 90 -10.201 4.711 3.584 1.00 0.00 H new ATOM 507 N GLN A 91 -10.682 7.240 7.403 1.00 0.00 N ATOM 508 CA GLN A 91 -11.519 7.084 8.608 1.00 0.00 C ATOM 509 C GLN A 91 -12.313 5.761 8.558 1.00 0.00 C ATOM 510 O GLN A 91 -12.472 5.062 9.560 1.00 0.00 O ATOM 511 CB GLN A 91 -12.575 8.177 8.575 1.00 0.00 C ATOM 512 CG GLN A 91 -12.112 9.591 8.265 1.00 0.00 C ATOM 513 CD GLN A 91 -11.958 9.858 6.760 1.00 0.00 C ATOM 514 OE1 GLN A 91 -12.540 9.214 5.897 1.00 0.00 O ATOM 515 NE2 GLN A 91 -11.013 10.688 6.412 1.00 0.00 N ATOM 0 H GLN A 91 -10.910 8.091 6.889 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.873 7.116 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.324 7.898 7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.075 8.191 9.544 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.826 10.301 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.157 9.771 8.759 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.522 11.229 7.124 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.765 10.795 5.428 1.00 0.00 H new ATOM 516 N THR A 92 -12.794 5.471 7.348 1.00 0.00 N ATOM 517 CA THR A 92 -13.943 4.587 7.101 1.00 0.00 C ATOM 518 C THR A 92 -13.606 3.515 6.066 1.00 0.00 C ATOM 519 O THR A 92 -13.196 3.850 4.953 1.00 0.00 O ATOM 520 CB THR A 92 -15.133 5.437 6.594 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.710 6.235 5.486 1.00 0.00 O ATOM 522 CG2 THR A 92 -15.716 6.326 7.689 1.00 0.00 C ATOM 0 H THR A 92 -12.390 5.850 6.492 1.00 0.00 H new ATOM 0 HA THR A 92 -14.203 4.087 8.034 1.00 0.00 H new ATOM 0 HB THR A 92 -15.922 4.753 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.003 5.765 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.548 6.903 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.071 5.705 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 92 -14.946 7.006 8.054 1.00 0.00 H new ATOM 523 N PRO A 93 -13.753 2.229 6.412 1.00 0.00 N ATOM 524 CA PRO A 93 -13.531 1.118 5.461 1.00 0.00 C ATOM 525 C PRO A 93 -14.568 1.127 4.329 1.00 0.00 C ATOM 526 O PRO A 93 -15.772 1.158 4.567 1.00 0.00 O ATOM 527 CB PRO A 93 -13.610 -0.139 6.339 1.00 0.00 C ATOM 528 CG PRO A 93 -14.495 0.266 7.512 1.00 0.00 C ATOM 529 CD PRO A 93 -14.113 1.728 7.748 1.00 0.00 C ATOM 0 HA PRO A 93 -12.575 1.185 4.941 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.038 -0.979 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.621 -0.449 6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.553 0.160 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.303 -0.348 8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.942 2.292 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.278 1.814 8.444 1.00 0.00 H new ATOM 530 N ASN A 94 -14.059 1.237 3.099 1.00 0.00 N ATOM 531 CA ASN A 94 -14.873 1.405 1.892 1.00 0.00 C ATOM 532 C ASN A 94 -14.314 0.526 0.753 1.00 0.00 C ATOM 533 O ASN A 94 -13.196 0.025 0.834 1.00 0.00 O ATOM 534 CB ASN A 94 -14.897 2.896 1.514 1.00 0.00 C ATOM 535 CG ASN A 94 -13.488 3.461 1.285 1.00 0.00 C ATOM 536 OD1 ASN A 94 -12.808 3.094 0.347 1.00 0.00 O ATOM 537 ND2 ASN A 94 -12.967 4.161 2.258 1.00 0.00 N ATOM 0 H ASN A 94 -13.057 1.212 2.911 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.898 1.081 2.074 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.491 3.030 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.389 3.461 2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.977 4.406 2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.550 4.462 3.039 1.00 0.00 H new ATOM 538 N GLU A 95 -15.026 0.559 -0.366 1.00 0.00 N ATOM 539 CA GLU A 95 -14.676 -0.150 -1.616 1.00 0.00 C ATOM 540 C GLU A 95 -13.257 0.147 -2.170 1.00 0.00 C ATOM 541 O GLU A 95 -12.595 -0.765 -2.635 1.00 0.00 O ATOM 542 CB GLU A 95 -15.814 0.116 -2.603 1.00 0.00 C ATOM 543 CG GLU A 95 -15.729 -0.625 -3.944 1.00 0.00 C ATOM 544 CD GLU A 95 -14.754 0.063 -4.911 1.00 0.00 C ATOM 545 OE1 GLU A 95 -14.998 1.253 -5.207 1.00 0.00 O ATOM 546 OE2 GLU A 95 -13.741 -0.589 -5.234 1.00 0.00 O ATOM 0 H GLU A 95 -15.892 1.093 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.592 -1.218 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.755 -0.151 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.851 1.187 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.408 -1.652 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.719 -0.672 -4.397 1.00 0.00 H new ATOM 547 N GLU A 96 -12.726 1.330 -1.866 1.00 0.00 N ATOM 548 CA GLU A 96 -11.411 1.780 -2.368 1.00 0.00 C ATOM 549 C GLU A 96 -10.243 1.311 -1.496 1.00 0.00 C ATOM 550 O GLU A 96 -9.099 1.167 -1.935 1.00 0.00 O ATOM 551 CB GLU A 96 -11.360 3.300 -2.396 1.00 0.00 C ATOM 552 CG GLU A 96 -12.164 3.836 -3.593 1.00 0.00 C ATOM 553 CD GLU A 96 -12.069 5.362 -3.766 1.00 0.00 C ATOM 554 OE1 GLU A 96 -12.254 6.081 -2.760 1.00 0.00 O ATOM 555 OE2 GLU A 96 -11.868 5.780 -4.932 1.00 0.00 O ATOM 0 H GLU A 96 -13.189 2.011 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.307 1.346 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.765 3.702 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.325 3.635 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.809 3.353 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.211 3.557 -3.471 1.00 0.00 H new ATOM 556 N CYS A 97 -10.594 1.202 -0.220 1.00 0.00 N ATOM 557 CA CYS A 97 -9.731 0.686 0.837 1.00 0.00 C ATOM 558 C CYS A 97 -9.352 -0.795 0.703 1.00 0.00 C ATOM 559 O CYS A 97 -8.583 -1.344 1.489 1.00 0.00 O ATOM 560 CB CYS A 97 -10.470 0.839 2.166 1.00 0.00 C ATOM 561 SG CYS A 97 -10.441 2.454 2.999 1.00 0.00 S ATOM 0 H CYS A 97 -11.516 1.479 0.118 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.805 1.258 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.513 0.573 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.062 0.103 2.858 1.00 0.00 H new ATOM 0 HG CYS A 97 -9.257 2.668 3.491 1.00 0.00 H new ATOM 562 N LEU A 98 -10.087 -1.462 -0.183 1.00 0.00 N ATOM 563 CA LEU A 98 -9.942 -2.879 -0.524 1.00 0.00 C ATOM 564 C LEU A 98 -8.841 -3.107 -1.541 1.00 0.00 C ATOM 565 O LEU A 98 -8.862 -2.662 -2.687 1.00 0.00 O ATOM 566 CB LEU A 98 -11.324 -3.356 -0.978 1.00 0.00 C ATOM 567 CG LEU A 98 -12.212 -3.478 0.248 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.689 -3.339 -0.105 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.982 -4.765 1.051 1.00 0.00 C ATOM 0 H LEU A 98 -10.835 -1.010 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.620 -3.469 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.754 -2.651 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.246 -4.316 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.921 -2.647 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.290 -3.432 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.865 -2.363 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.970 -4.122 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.651 -4.782 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.183 -5.629 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.948 -4.799 1.395 1.00 0.00 H new ATOM 570 N PHE A 99 -7.818 -3.737 -0.983 1.00 0.00 N ATOM 571 CA PHE A 99 -6.571 -4.053 -1.692 1.00 0.00 C ATOM 572 C PHE A 99 -6.374 -5.544 -1.905 1.00 0.00 C ATOM 573 O PHE A 99 -5.966 -6.315 -1.042 1.00 0.00 O ATOM 574 CB PHE A 99 -5.353 -3.512 -0.941 1.00 0.00 C ATOM 575 CG PHE A 99 -5.268 -1.988 -0.955 1.00 0.00 C ATOM 576 CD1 PHE A 99 -4.846 -1.375 -2.158 1.00 0.00 C ATOM 577 CD2 PHE A 99 -5.805 -1.228 0.103 1.00 0.00 C ATOM 578 CE1 PHE A 99 -4.999 0.017 -2.320 1.00 0.00 C ATOM 579 CE2 PHE A 99 -5.957 0.158 -0.067 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.558 0.769 -1.273 1.00 0.00 C ATOM 0 H PHE A 99 -7.823 -4.050 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.661 -3.571 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.387 -3.858 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.447 -3.924 -1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.410 -1.969 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.095 -1.703 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.691 0.499 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.380 0.756 0.727 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.684 1.835 -1.394 1.00 0.00 H new ATOM 581 N LEU A 100 -6.706 -5.893 -3.129 1.00 0.00 N ATOM 582 CA LEU A 100 -6.711 -7.271 -3.616 1.00 0.00 C ATOM 583 C LEU A 100 -5.301 -7.820 -3.856 1.00 0.00 C ATOM 584 O LEU A 100 -4.564 -7.313 -4.703 1.00 0.00 O ATOM 585 CB LEU A 100 -7.584 -7.336 -4.867 1.00 0.00 C ATOM 586 CG LEU A 100 -8.211 -8.710 -4.855 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.737 -8.677 -5.020 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.603 -9.666 -5.888 1.00 0.00 C ATOM 0 H LEU A 100 -6.988 -5.215 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.132 -7.919 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.347 -6.557 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.990 -7.184 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.982 -9.097 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.127 -9.695 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.179 -8.106 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.990 -8.207 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.100 -10.634 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.737 -9.254 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.539 -9.790 -5.687 1.00 0.00 H new ATOM 589 N GLU A 101 -4.913 -8.625 -2.874 1.00 0.00 N ATOM 590 CA GLU A 101 -3.620 -9.354 -2.886 1.00 0.00 C ATOM 591 C GLU A 101 -3.431 -10.162 -4.187 1.00 0.00 C ATOM 592 O GLU A 101 -3.928 -11.270 -4.366 1.00 0.00 O ATOM 593 CB GLU A 101 -3.438 -10.315 -1.715 1.00 0.00 C ATOM 594 CG GLU A 101 -3.649 -9.687 -0.333 1.00 0.00 C ATOM 595 CD GLU A 101 -3.017 -10.565 0.747 1.00 0.00 C ATOM 596 OE1 GLU A 101 -3.672 -11.534 1.168 1.00 0.00 O ATOM 597 OE2 GLU A 101 -1.859 -10.253 1.096 1.00 0.00 O ATOM 0 H GLU A 101 -5.475 -8.801 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.871 -8.566 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.135 -11.145 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.433 -10.734 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.207 -8.691 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.715 -9.568 -0.138 1.00 0.00 H new ATOM 598 N ARG A 102 -2.638 -9.550 -5.037 1.00 0.00 N ATOM 599 CA ARG A 102 -2.301 -10.042 -6.382 1.00 0.00 C ATOM 600 C ARG A 102 -0.774 -10.150 -6.485 1.00 0.00 C ATOM 601 O ARG A 102 -0.072 -9.297 -7.032 1.00 0.00 O ATOM 602 CB ARG A 102 -2.935 -9.021 -7.321 1.00 0.00 C ATOM 603 CG ARG A 102 -2.804 -9.449 -8.777 1.00 0.00 C ATOM 604 CD ARG A 102 -3.727 -8.647 -9.687 1.00 0.00 C ATOM 605 NE ARG A 102 -3.398 -9.051 -11.058 1.00 0.00 N ATOM 606 CZ ARG A 102 -3.579 -8.340 -12.175 1.00 0.00 C ATOM 607 NH1 ARG A 102 -4.194 -7.168 -12.231 1.00 0.00 N ATOM 608 NH2 ARG A 102 -3.212 -8.835 -13.343 1.00 0.00 N ATOM 0 H ARG A 102 -2.186 -8.663 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.674 -11.036 -6.628 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.988 -8.898 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.459 -8.051 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.772 -9.321 -9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.037 -10.510 -8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.773 -8.853 -9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.576 -7.576 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.985 -9.977 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.569 -6.748 -11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.293 -6.686 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.789 -9.762 -13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.351 -8.290 -14.194 1.00 0.00 H new ATOM 609 N LEU A 103 -0.293 -11.083 -5.674 1.00 0.00 N ATOM 610 CA LEU A 103 1.129 -11.446 -5.530 1.00 0.00 C ATOM 611 C LEU A 103 1.768 -11.721 -6.901 1.00 0.00 C ATOM 612 O LEU A 103 1.249 -12.448 -7.745 1.00 0.00 O ATOM 613 CB LEU A 103 1.223 -12.642 -4.590 1.00 0.00 C ATOM 614 CG LEU A 103 2.662 -13.024 -4.193 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.698 -13.425 -2.715 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.239 -14.129 -5.083 1.00 0.00 C ATOM 0 H LEU A 103 -0.900 -11.636 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 103 1.691 -10.617 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.655 -12.424 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.749 -13.501 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 103 3.296 -12.150 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.717 -13.695 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.364 -12.588 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.039 -14.278 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.254 -14.362 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.619 -15.022 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.254 -13.791 -6.119 1.00 0.00 H new ATOM 617 N GLU A 104 2.877 -11.009 -7.093 1.00 0.00 N ATOM 618 CA GLU A 104 3.674 -11.074 -8.324 1.00 0.00 C ATOM 619 C GLU A 104 4.783 -12.127 -8.178 1.00 0.00 C ATOM 620 O GLU A 104 5.550 -12.138 -7.211 1.00 0.00 O ATOM 621 CB GLU A 104 4.171 -9.677 -8.700 1.00 0.00 C ATOM 622 CG GLU A 104 5.167 -9.068 -7.710 1.00 0.00 C ATOM 623 CD GLU A 104 5.543 -7.621 -8.006 1.00 0.00 C ATOM 624 OE1 GLU A 104 6.271 -7.424 -9.009 1.00 0.00 O ATOM 625 OE2 GLU A 104 5.241 -6.761 -7.149 1.00 0.00 O ATOM 0 H GLU A 104 3.253 -10.366 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 104 3.060 -11.405 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.639 -9.724 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.312 -9.011 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.744 -9.123 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.074 -9.673 -7.707 1.00 0.00 H new ATOM 626 N GLU A 105 4.882 -12.934 -9.230 1.00 0.00 N ATOM 627 CA GLU A 105 5.699 -14.170 -9.316 1.00 0.00 C ATOM 628 C GLU A 105 7.101 -14.079 -8.674 1.00 0.00 C ATOM 629 O GLU A 105 7.542 -14.998 -7.991 1.00 0.00 O ATOM 630 CB GLU A 105 5.807 -14.544 -10.793 1.00 0.00 C ATOM 631 CG GLU A 105 6.264 -15.992 -10.979 1.00 0.00 C ATOM 632 CD GLU A 105 6.524 -16.268 -12.462 1.00 0.00 C ATOM 633 OE1 GLU A 105 7.639 -15.923 -12.916 1.00 0.00 O ATOM 634 OE2 GLU A 105 5.596 -16.818 -13.108 1.00 0.00 O ATOM 0 H GLU A 105 4.375 -12.747 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 105 5.192 -14.937 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.840 -14.403 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.511 -13.874 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.170 -16.174 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.503 -16.674 -10.601 1.00 0.00 H new ATOM 635 N ASN A 106 7.748 -12.944 -8.911 1.00 0.00 N ATOM 636 CA ASN A 106 9.058 -12.574 -8.353 1.00 0.00 C ATOM 637 C ASN A 106 9.012 -12.218 -6.845 1.00 0.00 C ATOM 638 O ASN A 106 9.416 -11.133 -6.451 1.00 0.00 O ATOM 639 CB ASN A 106 9.654 -11.413 -9.183 1.00 0.00 C ATOM 640 CG ASN A 106 8.684 -10.245 -9.427 1.00 0.00 C ATOM 641 OD1 ASN A 106 7.741 -10.341 -10.202 1.00 0.00 O ATOM 642 ND2 ASN A 106 8.852 -9.163 -8.699 1.00 0.00 N ATOM 0 H ASN A 106 7.365 -12.222 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 106 9.702 -13.451 -8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.539 -11.034 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.984 -11.803 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.192 -8.389 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.642 -9.097 -8.058 1.00 0.00 H new ATOM 643 N HIS A 107 8.496 -13.162 -6.040 1.00 0.00 N ATOM 644 CA HIS A 107 8.451 -13.180 -4.561 1.00 0.00 C ATOM 645 C HIS A 107 7.554 -12.109 -3.896 1.00 0.00 C ATOM 646 O HIS A 107 6.875 -12.371 -2.896 1.00 0.00 O ATOM 647 CB HIS A 107 9.909 -13.089 -4.083 1.00 0.00 C ATOM 648 CG HIS A 107 10.170 -13.269 -2.586 1.00 0.00 C ATOM 649 ND1 HIS A 107 9.281 -13.193 -1.604 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.364 -13.407 -2.037 1.00 0.00 C ATOM 651 CE1 HIS A 107 9.925 -13.301 -0.444 1.00 0.00 C ATOM 652 NE2 HIS A 107 11.218 -13.416 -0.715 1.00 0.00 N ATOM 0 H HIS A 107 8.065 -13.999 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 107 7.967 -14.105 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.487 -13.842 -4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.301 -12.116 -4.379 1.00 0.00 H new ATOM 0 HD1 HIS A 107 8.275 -13.072 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.299 -13.497 -2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.476 -13.296 0.538 1.00 0.00 H new ATOM 653 N TYR A 108 7.648 -10.900 -4.414 1.00 0.00 N ATOM 654 CA TYR A 108 6.932 -9.684 -3.994 1.00 0.00 C ATOM 655 C TYR A 108 5.413 -9.864 -4.010 1.00 0.00 C ATOM 656 O TYR A 108 4.809 -10.374 -4.960 1.00 0.00 O ATOM 657 CB TYR A 108 7.308 -8.509 -4.910 1.00 0.00 C ATOM 658 CG TYR A 108 8.712 -7.963 -4.649 1.00 0.00 C ATOM 659 CD1 TYR A 108 9.822 -8.622 -5.194 1.00 0.00 C ATOM 660 CD2 TYR A 108 8.852 -7.013 -3.627 1.00 0.00 C ATOM 661 CE1 TYR A 108 11.101 -8.390 -4.670 1.00 0.00 C ATOM 662 CE2 TYR A 108 10.130 -6.739 -3.102 1.00 0.00 C ATOM 663 CZ TYR A 108 11.234 -7.443 -3.624 1.00 0.00 C ATOM 664 OH TYR A 108 12.477 -7.085 -3.230 1.00 0.00 O ATOM 0 H TYR A 108 8.271 -10.715 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 108 7.234 -9.478 -2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.238 -8.831 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.583 -7.706 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 108 9.692 -9.308 -6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 108 7.985 -6.495 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 108 11.962 -8.918 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.261 -6.007 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 108 12.491 -6.128 -3.021 1.00 0.00 H new ATOM 665 N ASN A 109 4.833 -9.164 -3.064 1.00 0.00 N ATOM 666 CA ASN A 109 3.371 -9.151 -2.900 1.00 0.00 C ATOM 667 C ASN A 109 2.881 -7.795 -3.402 1.00 0.00 C ATOM 668 O ASN A 109 3.497 -6.762 -3.188 1.00 0.00 O ATOM 669 CB ASN A 109 2.996 -9.346 -1.433 1.00 0.00 C ATOM 670 CG ASN A 109 1.541 -9.766 -1.185 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.587 -9.363 -1.830 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.357 -10.604 -0.181 1.00 0.00 N ATOM 0 H ASN A 109 5.338 -8.591 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 109 2.910 -9.963 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.654 -10.101 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.186 -8.415 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.415 -10.916 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.156 -10.939 0.356 1.00 0.00 H new ATOM 673 N THR A 110 1.741 -7.863 -4.074 1.00 0.00 N ATOM 674 CA THR A 110 1.150 -6.661 -4.668 1.00 0.00 C ATOM 675 C THR A 110 -0.336 -6.570 -4.378 1.00 0.00 C ATOM 676 O THR A 110 -1.022 -7.581 -4.225 1.00 0.00 O ATOM 677 CB THR A 110 1.389 -6.542 -6.172 1.00 0.00 C ATOM 678 OG1 THR A 110 1.969 -7.722 -6.735 1.00 0.00 O ATOM 679 CG2 THR A 110 2.157 -5.270 -6.475 1.00 0.00 C ATOM 0 H THR A 110 1.210 -8.721 -4.223 1.00 0.00 H new ATOM 0 HA THR A 110 1.664 -5.825 -4.193 1.00 0.00 H new ATOM 0 HB THR A 110 0.424 -6.460 -6.672 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.261 -8.290 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.323 -5.193 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.583 -4.408 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.117 -5.293 -5.960 1.00 0.00 H new ATOM 680 N TYR A 111 -0.816 -5.344 -4.408 1.00 0.00 N ATOM 681 CA TYR A 111 -2.208 -5.031 -4.040 1.00 0.00 C ATOM 682 C TYR A 111 -2.788 -4.196 -5.157 1.00 0.00 C ATOM 683 O TYR A 111 -2.147 -3.264 -5.664 1.00 0.00 O ATOM 684 CB TYR A 111 -2.275 -4.233 -2.738 1.00 0.00 C ATOM 685 CG TYR A 111 -1.616 -4.969 -1.571 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.347 -5.980 -0.898 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.246 -4.748 -1.313 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.673 -6.818 0.006 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.422 -5.596 -0.416 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.290 -6.628 0.225 1.00 0.00 C ATOM 691 OH TYR A 111 0.393 -7.555 0.937 1.00 0.00 O ATOM 0 H TYR A 111 -0.267 -4.530 -4.685 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.763 -5.957 -3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.786 -3.269 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.317 -4.028 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.405 -6.104 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.280 -3.939 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.206 -7.599 0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.475 -5.458 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 111 1.355 -7.425 0.806 1.00 0.00 H new ATOM 692 N ILE A 112 -3.892 -4.703 -5.657 1.00 0.00 N ATOM 693 CA ILE A 112 -4.665 -4.009 -6.681 1.00 0.00 C ATOM 694 C ILE A 112 -5.970 -3.477 -6.063 1.00 0.00 C ATOM 695 O ILE A 112 -6.645 -4.178 -5.308 1.00 0.00 O ATOM 696 CB ILE A 112 -4.823 -4.925 -7.908 1.00 0.00 C ATOM 697 CG1 ILE A 112 -5.130 -4.063 -9.125 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.862 -6.048 -7.748 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.665 -4.722 -10.419 1.00 0.00 C ATOM 0 H ILE A 112 -4.283 -5.601 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.151 -3.124 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.877 -5.452 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.203 -3.877 -9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.643 -3.094 -9.016 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.902 -6.640 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -5.579 -6.689 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.842 -5.612 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.903 -4.075 -11.263 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.588 -4.884 -10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.171 -5.679 -10.542 1.00 0.00 H new ATOM 700 N SER A 113 -6.124 -2.166 -6.158 1.00 0.00 N ATOM 701 CA SER A 113 -7.328 -1.520 -5.597 1.00 0.00 C ATOM 702 C SER A 113 -8.606 -1.913 -6.333 1.00 0.00 C ATOM 703 O SER A 113 -8.778 -1.641 -7.523 1.00 0.00 O ATOM 704 CB SER A 113 -7.195 -0.012 -5.515 1.00 0.00 C ATOM 705 OG SER A 113 -8.309 0.506 -4.780 1.00 0.00 O ATOM 0 H SER A 113 -5.459 -1.533 -6.602 1.00 0.00 H new ATOM 0 HA SER A 113 -7.411 -1.898 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.260 0.259 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.168 0.420 -6.515 1.00 0.00 H new ATOM 0 HG SER A 113 -8.074 0.569 -3.831 1.00 0.00 H new ATOM 706 N LYS A 114 -9.355 -2.710 -5.583 1.00 0.00 N ATOM 707 CA LYS A 114 -10.629 -3.370 -5.947 1.00 0.00 C ATOM 708 C LYS A 114 -11.315 -2.908 -7.258 1.00 0.00 C ATOM 709 O LYS A 114 -11.382 -3.679 -8.205 1.00 0.00 O ATOM 710 CB LYS A 114 -11.607 -3.267 -4.764 1.00 0.00 C ATOM 711 CG LYS A 114 -12.718 -4.305 -4.888 1.00 0.00 C ATOM 712 CD LYS A 114 -13.766 -4.121 -3.782 1.00 0.00 C ATOM 713 CE LYS A 114 -14.735 -5.300 -3.742 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.684 -5.069 -2.646 1.00 0.00 N ATOM 0 H LYS A 114 -9.078 -2.938 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.352 -4.402 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -11.069 -3.414 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -12.039 -2.267 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.195 -4.218 -5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.293 -5.307 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.268 -4.023 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -14.319 -3.197 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.263 -5.392 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.194 -6.233 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.606 -5.482 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.326 -5.514 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.793 -4.046 -2.491 1.00 0.00 H new ATOM 715 N LYS A 115 -11.721 -1.634 -7.313 1.00 0.00 N ATOM 716 CA LYS A 115 -12.475 -1.067 -8.451 1.00 0.00 C ATOM 717 C LYS A 115 -11.731 -1.094 -9.801 1.00 0.00 C ATOM 718 O LYS A 115 -12.258 -1.570 -10.803 1.00 0.00 O ATOM 719 CB LYS A 115 -13.051 0.330 -8.175 1.00 0.00 C ATOM 720 CG LYS A 115 -12.050 1.478 -7.976 1.00 0.00 C ATOM 721 CD LYS A 115 -11.324 1.459 -6.634 1.00 0.00 C ATOM 722 CE LYS A 115 -10.263 2.571 -6.555 1.00 0.00 C ATOM 723 NZ LYS A 115 -9.118 2.228 -7.414 1.00 0.00 N ATOM 0 H LYS A 115 -11.538 -0.960 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.313 -1.757 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.707 0.594 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.674 0.268 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.310 1.441 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.579 2.426 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.045 1.584 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -10.848 0.489 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.694 3.521 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.931 2.698 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.232 2.411 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.167 1.222 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.145 2.808 -8.277 1.00 0.00 H new ATOM 724 N HIS A 116 -10.482 -0.651 -9.794 1.00 0.00 N ATOM 725 CA HIS A 116 -9.677 -0.509 -11.031 1.00 0.00 C ATOM 726 C HIS A 116 -8.711 -1.664 -11.344 1.00 0.00 C ATOM 727 O HIS A 116 -7.739 -1.509 -12.071 1.00 0.00 O ATOM 728 CB HIS A 116 -8.988 0.860 -11.032 1.00 0.00 C ATOM 729 CG HIS A 116 -9.971 2.012 -11.200 1.00 0.00 C ATOM 730 ND1 HIS A 116 -11.152 1.973 -11.803 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.727 3.276 -10.869 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.648 3.200 -11.858 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.762 4.007 -11.277 1.00 0.00 N ATOM 0 H HIS A 116 -9.987 -0.378 -8.945 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.381 -0.570 -11.861 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.441 0.988 -10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.255 0.893 -11.838 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -11.605 1.134 -12.166 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.848 3.644 -10.361 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.593 3.491 -12.292 1.00 0.00 H new ATOM 734 N ALA A 117 -9.201 -2.873 -11.045 1.00 0.00 N ATOM 735 CA ALA A 117 -8.492 -4.135 -11.316 1.00 0.00 C ATOM 736 C ALA A 117 -8.294 -4.504 -12.793 1.00 0.00 C ATOM 737 O ALA A 117 -7.303 -5.114 -13.177 1.00 0.00 O ATOM 738 CB ALA A 117 -9.197 -5.273 -10.571 1.00 0.00 C ATOM 0 H ALA A 117 -10.111 -3.007 -10.603 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.477 -3.977 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.679 -6.212 -10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.187 -5.068 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.228 -5.350 -10.916 1.00 0.00 H new ATOM 739 N GLU A 118 -9.144 -3.911 -13.638 1.00 0.00 N ATOM 740 CA GLU A 118 -9.124 -4.109 -15.108 1.00 0.00 C ATOM 741 C GLU A 118 -8.316 -3.050 -15.851 1.00 0.00 C ATOM 742 O GLU A 118 -7.762 -3.278 -16.928 1.00 0.00 O ATOM 743 CB GLU A 118 -10.550 -4.284 -15.685 1.00 0.00 C ATOM 744 CG GLU A 118 -11.481 -3.065 -15.653 1.00 0.00 C ATOM 745 CD GLU A 118 -11.881 -2.629 -14.241 1.00 0.00 C ATOM 746 OE1 GLU A 118 -12.809 -3.251 -13.692 1.00 0.00 O ATOM 747 OE2 GLU A 118 -11.160 -1.754 -13.721 1.00 0.00 O ATOM 0 H GLU A 118 -9.876 -3.272 -13.327 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.594 -5.046 -15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.456 -4.609 -16.721 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.036 -5.093 -15.140 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.990 -2.231 -16.155 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.382 -3.293 -16.222 1.00 0.00 H new ATOM 748 N LYS A 119 -8.255 -1.888 -15.206 1.00 0.00 N ATOM 749 CA LYS A 119 -7.336 -0.777 -15.515 1.00 0.00 C ATOM 750 C LYS A 119 -5.939 -0.992 -14.917 1.00 0.00 C ATOM 751 O LYS A 119 -5.023 -0.219 -15.216 1.00 0.00 O ATOM 752 CB LYS A 119 -8.010 0.483 -14.963 1.00 0.00 C ATOM 753 CG LYS A 119 -9.114 0.961 -15.910 1.00 0.00 C ATOM 754 CD LYS A 119 -9.915 2.142 -15.346 1.00 0.00 C ATOM 755 CE LYS A 119 -9.091 3.417 -15.059 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.423 3.904 -16.273 1.00 0.00 N ATOM 0 H LYS A 119 -8.868 -1.678 -14.418 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.165 -0.698 -16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.431 0.276 -13.979 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.269 1.271 -14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.669 1.252 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.793 0.133 -16.116 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.708 2.392 -16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.398 1.825 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.745 4.194 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.347 3.207 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.933 4.797 -16.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.732 3.197 -16.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.130 4.063 -17.019 1.00 0.00 H new ATOM 757 N ASN A 120 -5.764 -2.149 -14.282 1.00 0.00 N ATOM 758 CA ASN A 120 -4.562 -2.603 -13.574 1.00 0.00 C ATOM 759 C ASN A 120 -3.919 -1.544 -12.660 1.00 0.00 C ATOM 760 O ASN A 120 -2.721 -1.303 -12.679 1.00 0.00 O ATOM 761 CB ASN A 120 -3.588 -3.231 -14.568 1.00 0.00 C ATOM 762 CG ASN A 120 -4.231 -4.404 -15.317 1.00 0.00 C ATOM 763 OD1 ASN A 120 -4.216 -5.547 -14.898 1.00 0.00 O ATOM 764 ND2 ASN A 120 -4.884 -4.082 -16.411 1.00 0.00 N ATOM 0 H ASN A 120 -6.509 -2.845 -14.244 1.00 0.00 H new ATOM 0 HA ASN A 120 -4.872 -3.372 -12.866 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.259 -2.477 -15.283 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.700 -3.578 -14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.394 -4.797 -16.930 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.881 -3.117 -16.741 1.00 0.00 H new ATOM 765 N TRP A 121 -4.781 -1.005 -11.796 1.00 0.00 N ATOM 766 CA TRP A 121 -4.375 0.001 -10.799 1.00 0.00 C ATOM 767 C TRP A 121 -3.878 -0.644 -9.510 1.00 0.00 C ATOM 768 O TRP A 121 -4.595 -0.887 -8.526 1.00 0.00 O ATOM 769 CB TRP A 121 -5.487 0.998 -10.514 1.00 0.00 C ATOM 770 CG TRP A 121 -5.622 2.062 -11.596 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.410 1.960 -12.905 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.928 3.394 -11.325 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.563 3.153 -13.487 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.874 4.050 -12.561 1.00 0.00 C ATOM 775 CE3 TRP A 121 -6.146 4.105 -10.125 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -6.012 5.438 -12.638 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.367 5.490 -10.225 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.333 6.156 -11.468 1.00 0.00 C ATOM 0 H TRP A 121 -5.771 -1.247 -11.763 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.542 0.552 -11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.432 0.463 -10.418 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.297 1.483 -9.557 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.152 1.047 -13.422 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.458 3.343 -14.484 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.143 3.605 -9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.875 5.952 -13.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.568 6.058 -9.328 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.552 7.212 -11.523 1.00 0.00 H new ATOM 779 N PHE A 122 -2.575 -0.813 -9.556 1.00 0.00 N ATOM 780 CA PHE A 122 -1.812 -1.455 -8.481 1.00 0.00 C ATOM 781 C PHE A 122 -1.283 -0.418 -7.481 1.00 0.00 C ATOM 782 O PHE A 122 -1.507 0.783 -7.608 1.00 0.00 O ATOM 783 CB PHE A 122 -0.633 -2.201 -9.129 1.00 0.00 C ATOM 784 CG PHE A 122 -0.934 -3.637 -9.561 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.888 -4.664 -8.604 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.873 -3.943 -10.944 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.736 -6.011 -9.016 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.708 -5.273 -11.363 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.628 -6.295 -10.392 1.00 0.00 C ATOM 0 H PHE A 122 -2.000 -0.510 -10.342 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.457 -2.141 -7.932 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.302 -1.637 -10.001 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.199 -2.216 -8.425 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.969 -4.427 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.953 -3.153 -11.676 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.703 -6.807 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -0.643 -5.511 -12.414 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.481 -7.316 -10.711 1.00 0.00 H new ATOM 790 N VAL A 123 -0.629 -0.943 -6.450 1.00 0.00 N ATOM 791 CA VAL A 123 0.094 -0.125 -5.464 1.00 0.00 C ATOM 792 C VAL A 123 1.530 0.171 -5.843 1.00 0.00 C ATOM 793 O VAL A 123 2.199 -0.684 -6.418 1.00 0.00 O ATOM 794 CB VAL A 123 0.046 -0.763 -4.055 1.00 0.00 C ATOM 795 CG1 VAL A 123 -1.331 -0.624 -3.419 1.00 0.00 C ATOM 796 CG2 VAL A 123 0.589 -2.195 -4.008 1.00 0.00 C ATOM 0 H VAL A 123 -0.581 -1.946 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.432 0.830 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 123 0.737 -0.188 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -1.324 -1.084 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -1.584 0.432 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -2.073 -1.120 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.523 -2.576 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.001 -2.829 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.630 -2.200 -4.331 1.00 0.00 H new ATOM 797 N GLY A 124 1.936 1.381 -5.492 1.00 0.00 N ATOM 798 CA GLY A 124 3.301 1.825 -5.778 1.00 0.00 C ATOM 799 C GLY A 124 3.619 3.256 -5.329 1.00 0.00 C ATOM 800 O GLY A 124 2.778 4.145 -5.267 1.00 0.00 O ATOM 0 H GLY A 124 1.353 2.069 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.999 1.143 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.476 1.749 -6.851 1.00 0.00 H new ATOM 801 N LEU A 125 4.906 3.411 -5.106 1.00 0.00 N ATOM 802 CA LEU A 125 5.460 4.719 -4.716 1.00 0.00 C ATOM 803 C LEU A 125 6.719 5.071 -5.484 1.00 0.00 C ATOM 804 O LEU A 125 7.392 4.229 -6.065 1.00 0.00 O ATOM 805 CB LEU A 125 5.631 4.787 -3.183 1.00 0.00 C ATOM 806 CG LEU A 125 6.496 3.684 -2.554 1.00 0.00 C ATOM 807 CD1 LEU A 125 7.983 4.051 -2.575 1.00 0.00 C ATOM 808 CD2 LEU A 125 6.073 3.486 -1.105 1.00 0.00 C ATOM 0 H LEU A 125 5.595 2.663 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 125 4.745 5.493 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.067 5.753 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.643 4.752 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 125 6.353 2.773 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.563 3.247 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.307 4.196 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.138 4.972 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.683 2.704 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.210 4.417 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.023 3.194 -1.069 1.00 0.00 H new ATOM 809 N LYS A 126 6.919 6.372 -5.521 1.00 0.00 N ATOM 810 CA LYS A 126 8.059 7.027 -6.159 1.00 0.00 C ATOM 811 C LYS A 126 9.193 7.040 -5.138 1.00 0.00 C ATOM 812 O LYS A 126 9.009 7.417 -3.983 1.00 0.00 O ATOM 813 CB LYS A 126 7.538 8.416 -6.511 1.00 0.00 C ATOM 814 CG LYS A 126 8.564 9.471 -6.934 1.00 0.00 C ATOM 815 CD LYS A 126 9.321 9.118 -8.211 1.00 0.00 C ATOM 816 CE LYS A 126 10.116 10.355 -8.617 1.00 0.00 C ATOM 817 NZ LYS A 126 10.999 10.049 -9.740 1.00 0.00 N ATOM 0 H LYS A 126 6.271 7.034 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 126 8.447 6.544 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 126 6.814 8.309 -7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.997 8.801 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.054 10.423 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 126 9.281 9.612 -6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.986 8.271 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.629 8.828 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.434 11.159 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.704 10.711 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 11.533 10.901 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 11.662 9.296 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 10.431 9.731 -10.551 1.00 0.00 H new ATOM 818 N LYS A 127 10.382 6.718 -5.646 1.00 0.00 N ATOM 819 CA LYS A 127 11.624 6.682 -4.858 1.00 0.00 C ATOM 820 C LYS A 127 11.995 7.982 -4.114 1.00 0.00 C ATOM 821 O LYS A 127 12.851 7.973 -3.238 1.00 0.00 O ATOM 822 CB LYS A 127 12.774 6.094 -5.699 1.00 0.00 C ATOM 823 CG LYS A 127 13.051 6.827 -7.011 1.00 0.00 C ATOM 824 CD LYS A 127 13.889 8.077 -6.800 1.00 0.00 C ATOM 825 CE LYS A 127 15.220 7.935 -7.520 1.00 0.00 C ATOM 826 NZ LYS A 127 15.886 9.237 -7.408 1.00 0.00 N ATOM 0 H LYS A 127 10.517 6.471 -6.627 1.00 0.00 H new ATOM 0 HA LYS A 127 11.426 6.007 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.683 6.099 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.545 5.052 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.567 6.157 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.106 7.099 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.355 8.951 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.057 8.237 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.825 7.148 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.070 7.663 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 16.808 9.197 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 15.296 9.968 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 16.027 9.470 -6.404 1.00 0.00 H new ATOM 827 N ASN A 128 11.305 9.055 -4.483 1.00 0.00 N ATOM 828 CA ASN A 128 11.328 10.357 -3.792 1.00 0.00 C ATOM 829 C ASN A 128 10.361 10.523 -2.607 1.00 0.00 C ATOM 830 O ASN A 128 10.080 11.651 -2.189 1.00 0.00 O ATOM 831 CB ASN A 128 11.158 11.448 -4.859 1.00 0.00 C ATOM 832 CG ASN A 128 12.507 11.821 -5.498 1.00 0.00 C ATOM 833 OD1 ASN A 128 13.558 11.689 -4.722 1.00 0.00 O flip ATOM 834 ND2 ASN A 128 12.635 12.103 -6.671 1.00 0.00 N flip ATOM 0 H ASN A 128 10.691 9.052 -5.297 1.00 0.00 H new ATOM 0 HA ASN A 128 12.292 10.440 -3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 128 10.471 11.101 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.710 12.333 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 128 11.811 12.203 -7.264 1.00 0.00 H new ATOM 0 HD22 ASN A 128 13.566 12.240 -7.064 1.00 0.00 H new ATOM 835 N GLY A 129 9.855 9.401 -2.093 1.00 0.00 N ATOM 836 CA GLY A 129 9.063 9.339 -0.851 1.00 0.00 C ATOM 837 C GLY A 129 7.561 9.620 -0.997 1.00 0.00 C ATOM 838 O GLY A 129 6.834 9.537 -0.009 1.00 0.00 O ATOM 0 H GLY A 129 9.983 8.489 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.186 8.348 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.479 10.054 -0.142 1.00 0.00 H new ATOM 839 N SER A 130 7.063 9.578 -2.227 1.00 0.00 N ATOM 840 CA SER A 130 5.679 9.943 -2.561 1.00 0.00 C ATOM 841 C SER A 130 4.933 8.741 -3.115 1.00 0.00 C ATOM 842 O SER A 130 5.443 8.023 -3.971 1.00 0.00 O ATOM 843 CB SER A 130 5.678 11.097 -3.579 1.00 0.00 C ATOM 844 OG SER A 130 6.784 10.931 -4.481 1.00 0.00 O ATOM 0 H SER A 130 7.611 9.286 -3.036 1.00 0.00 H new ATOM 0 HA SER A 130 5.169 10.271 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.740 11.108 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.755 12.054 -3.062 1.00 0.00 H new ATOM 0 HG SER A 130 6.787 11.663 -5.133 1.00 0.00 H new ATOM 845 N CYS A 131 3.725 8.514 -2.591 1.00 0.00 N ATOM 846 CA CYS A 131 2.859 7.388 -2.964 1.00 0.00 C ATOM 847 C CYS A 131 2.160 7.494 -4.327 1.00 0.00 C ATOM 848 O CYS A 131 0.947 7.528 -4.503 1.00 0.00 O ATOM 849 CB CYS A 131 1.850 7.077 -1.862 1.00 0.00 C ATOM 850 SG CYS A 131 2.567 5.937 -0.618 1.00 0.00 S ATOM 0 H CYS A 131 3.312 9.119 -1.881 1.00 0.00 H new ATOM 0 HA CYS A 131 3.553 6.555 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.540 8.002 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.956 6.630 -2.298 1.00 0.00 H new ATOM 0 HG CYS A 131 3.098 4.915 -1.221 1.00 0.00 H new ATOM 851 N LYS A 132 3.069 7.374 -5.271 1.00 0.00 N ATOM 852 CA LYS A 132 2.880 7.547 -6.707 1.00 0.00 C ATOM 853 C LYS A 132 2.410 6.307 -7.487 1.00 0.00 C ATOM 854 O LYS A 132 3.165 5.529 -8.055 1.00 0.00 O ATOM 855 CB LYS A 132 4.106 8.158 -7.332 1.00 0.00 C ATOM 856 CG LYS A 132 4.062 9.654 -7.018 1.00 0.00 C ATOM 857 CD LYS A 132 4.738 10.433 -8.146 1.00 0.00 C ATOM 858 CE LYS A 132 3.963 10.207 -9.434 1.00 0.00 C ATOM 859 NZ LYS A 132 4.696 10.881 -10.509 1.00 0.00 N ATOM 0 H LYS A 132 4.034 7.135 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 132 2.037 8.232 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 132 5.012 7.705 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 132 4.116 7.989 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.029 9.982 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.566 9.853 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.767 11.496 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.771 10.105 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.868 9.141 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 132 2.952 10.606 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.193 10.747 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 4.764 11.897 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 5.652 10.478 -10.583 1.00 0.00 H new ATOM 860 N ARG A 133 1.099 6.193 -7.427 1.00 0.00 N ATOM 861 CA ARG A 133 0.313 5.161 -8.124 1.00 0.00 C ATOM 862 C ARG A 133 -0.683 5.709 -9.161 1.00 0.00 C ATOM 863 O ARG A 133 -0.430 6.695 -9.857 1.00 0.00 O ATOM 864 CB ARG A 133 -0.292 4.193 -7.090 1.00 0.00 C ATOM 865 CG ARG A 133 -0.982 4.888 -5.906 1.00 0.00 C ATOM 866 CD ARG A 133 -1.678 3.937 -4.940 1.00 0.00 C ATOM 867 NE ARG A 133 -0.823 2.976 -4.229 1.00 0.00 N ATOM 868 CZ ARG A 133 0.231 3.230 -3.430 1.00 0.00 C ATOM 869 NH1 ARG A 133 0.745 4.440 -3.280 1.00 0.00 N ATOM 870 NH2 ARG A 133 0.802 2.247 -2.750 1.00 0.00 N ATOM 0 H ARG A 133 0.521 6.829 -6.878 1.00 0.00 H new ATOM 0 HA ARG A 133 0.992 4.587 -8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.015 3.549 -7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.498 3.547 -6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.239 5.466 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.715 5.596 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -2.209 4.534 -4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.430 3.377 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.058 1.992 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.342 5.231 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.545 4.582 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 133 0.444 1.296 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.600 2.442 -2.145 1.00 0.00 H new ATOM 871 N GLY A 134 -1.794 4.991 -9.298 1.00 0.00 N ATOM 872 CA GLY A 134 -2.849 5.211 -10.294 1.00 0.00 C ATOM 873 C GLY A 134 -2.627 4.412 -11.572 1.00 0.00 C ATOM 874 O GLY A 134 -2.499 3.199 -11.510 1.00 0.00 O ATOM 0 H GLY A 134 -1.997 4.199 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.812 4.939 -9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.897 6.272 -10.538 1.00 0.00 H new ATOM 875 N PRO A 135 -2.545 5.103 -12.719 1.00 0.00 N ATOM 876 CA PRO A 135 -2.508 4.439 -14.017 1.00 0.00 C ATOM 877 C PRO A 135 -1.065 4.074 -14.475 1.00 0.00 C ATOM 878 O PRO A 135 -0.840 3.690 -15.620 1.00 0.00 O ATOM 879 CB PRO A 135 -3.171 5.421 -14.985 1.00 0.00 C ATOM 880 CG PRO A 135 -3.234 6.763 -14.248 1.00 0.00 C ATOM 881 CD PRO A 135 -2.524 6.570 -12.906 1.00 0.00 C ATOM 0 HA PRO A 135 -3.027 3.482 -13.976 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.596 5.509 -15.907 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.169 5.081 -15.263 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -2.750 7.546 -14.831 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.268 7.072 -14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.506 6.958 -12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.043 7.086 -12.098 1.00 0.00 H new ATOM 882 N ARG A 136 -0.117 4.296 -13.572 1.00 0.00 N ATOM 883 CA ARG A 136 1.317 4.002 -13.761 1.00 0.00 C ATOM 884 C ARG A 136 1.865 2.813 -12.951 1.00 0.00 C ATOM 885 O ARG A 136 2.971 2.321 -13.208 1.00 0.00 O ATOM 886 CB ARG A 136 2.196 5.245 -13.540 1.00 0.00 C ATOM 887 CG ARG A 136 1.959 6.037 -12.237 1.00 0.00 C ATOM 888 CD ARG A 136 3.104 7.017 -11.962 1.00 0.00 C ATOM 889 NE ARG A 136 4.180 6.324 -11.236 1.00 0.00 N ATOM 890 CZ ARG A 136 5.452 6.158 -11.609 1.00 0.00 C ATOM 891 NH1 ARG A 136 6.019 6.815 -12.619 1.00 0.00 N ATOM 892 NH2 ARG A 136 6.244 5.421 -10.844 1.00 0.00 N ATOM 0 H ARG A 136 -0.321 4.698 -12.657 1.00 0.00 H new ATOM 0 HA ARG A 136 1.375 3.695 -14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.240 4.932 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.047 5.921 -14.382 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.019 6.584 -12.308 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.862 5.344 -11.401 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.485 7.420 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.741 7.862 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 136 3.923 5.920 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.476 7.490 -13.157 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.996 6.643 -12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.878 4.996 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 136 7.219 5.279 -11.107 1.00 0.00 H new ATOM 893 N THR A 137 1.075 2.366 -11.994 1.00 0.00 N ATOM 894 CA THR A 137 1.434 1.214 -11.141 1.00 0.00 C ATOM 895 C THR A 137 0.850 -0.099 -11.658 1.00 0.00 C ATOM 896 O THR A 137 -0.353 -0.352 -11.565 1.00 0.00 O ATOM 897 CB THR A 137 0.983 1.445 -9.696 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.291 2.081 -9.678 1.00 0.00 O ATOM 899 CG2 THR A 137 2.045 2.221 -8.923 1.00 0.00 C ATOM 0 H THR A 137 0.168 2.778 -11.774 1.00 0.00 H new ATOM 0 HA THR A 137 2.520 1.131 -11.174 1.00 0.00 H new ATOM 0 HB THR A 137 0.869 0.486 -9.190 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.827 1.718 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.708 2.376 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 137 2.977 1.655 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.210 3.187 -9.401 1.00 0.00 H new ATOM 900 N HIS A 138 1.714 -0.752 -12.403 1.00 0.00 N ATOM 901 CA HIS A 138 1.553 -2.129 -12.914 1.00 0.00 C ATOM 902 C HIS A 138 2.893 -2.829 -13.038 1.00 0.00 C ATOM 903 O HIS A 138 3.962 -2.311 -12.721 1.00 0.00 O ATOM 904 CB HIS A 138 0.736 -2.142 -14.208 1.00 0.00 C ATOM 905 CG HIS A 138 1.225 -1.138 -15.256 1.00 0.00 C ATOM 906 ND1 HIS A 138 0.586 -0.013 -15.553 1.00 0.00 N flip ATOM 907 CD2 HIS A 138 2.381 -1.143 -15.916 1.00 0.00 C flip ATOM 908 CE1 HIS A 138 1.359 0.681 -16.381 1.00 0.00 C flip ATOM 909 NE2 HIS A 138 2.459 -0.016 -16.611 1.00 0.00 N flip ATOM 0 H HIS A 138 2.597 -0.332 -12.693 1.00 0.00 H new ATOM 0 HA HIS A 138 0.980 -2.706 -12.188 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.766 -3.144 -14.636 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.306 -1.928 -13.971 1.00 0.00 H new ATOM 0 HD2 HIS A 138 3.124 -1.926 -15.890 1.00 0.00 H new ATOM 0 HE1 HIS A 138 1.128 1.651 -16.796 1.00 0.00 H new ATOM 0 HE2 HIS A 138 3.231 0.264 -17.216 1.00 0.00 H new ATOM 910 N TYR A 139 2.738 -4.116 -13.264 1.00 0.00 N ATOM 911 CA TYR A 139 3.820 -5.094 -13.379 1.00 0.00 C ATOM 912 C TYR A 139 4.720 -4.824 -14.580 1.00 0.00 C ATOM 913 O TYR A 139 4.301 -4.485 -15.682 1.00 0.00 O ATOM 914 CB TYR A 139 3.109 -6.433 -13.478 1.00 0.00 C ATOM 915 CG TYR A 139 3.819 -7.658 -12.877 1.00 0.00 C ATOM 916 CD1 TYR A 139 5.173 -7.634 -12.481 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.066 -8.851 -12.854 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.788 -8.827 -12.071 1.00 0.00 C ATOM 919 CE2 TYR A 139 3.670 -10.045 -12.433 1.00 0.00 C ATOM 920 CZ TYR A 139 5.020 -10.014 -12.043 1.00 0.00 C ATOM 921 OH TYR A 139 5.582 -11.108 -11.464 1.00 0.00 O ATOM 0 H TYR A 139 1.816 -4.537 -13.379 1.00 0.00 H new ATOM 0 HA TYR A 139 4.499 -5.055 -12.527 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.138 -6.335 -12.993 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.920 -6.637 -14.532 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.730 -6.709 -12.493 1.00 0.00 H new ATOM 0 HD2 TYR A 139 2.030 -8.845 -13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.829 -8.838 -11.782 1.00 0.00 H new ATOM 0 HE2 TYR A 139 3.110 -10.968 -12.409 1.00 0.00 H new ATOM 0 HH TYR A 139 6.393 -10.843 -10.982 1.00 0.00 H new ATOM 922 N GLY A 140 5.967 -5.139 -14.259 1.00 0.00 N ATOM 923 CA GLY A 140 7.170 -4.924 -15.075 1.00 0.00 C ATOM 924 C GLY A 140 8.189 -4.076 -14.314 1.00 0.00 C ATOM 925 O GLY A 140 9.337 -4.483 -14.141 1.00 0.00 O ATOM 0 H GLY A 140 6.187 -5.580 -13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.613 -5.884 -15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 140 6.900 -4.429 -16.008 1.00 0.00 H new ATOM 926 N GLN A 141 7.680 -3.062 -13.617 1.00 0.00 N ATOM 927 CA GLN A 141 8.488 -2.053 -12.937 1.00 0.00 C ATOM 928 C GLN A 141 8.488 -2.193 -11.398 1.00 0.00 C ATOM 929 O GLN A 141 7.461 -2.420 -10.766 1.00 0.00 O ATOM 930 CB GLN A 141 8.021 -0.662 -13.386 1.00 0.00 C ATOM 931 CG GLN A 141 6.540 -0.310 -13.143 1.00 0.00 C ATOM 932 CD GLN A 141 5.638 -0.500 -14.367 1.00 0.00 C ATOM 933 OE1 GLN A 141 5.685 -1.473 -15.108 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.719 0.415 -14.547 1.00 0.00 N ATOM 0 H GLN A 141 6.676 -2.916 -13.507 1.00 0.00 H new ATOM 0 HA GLN A 141 9.528 -2.205 -13.225 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.634 0.082 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.222 -0.565 -14.453 1.00 0.00 H new ATOM 0 HG2 GLN A 141 6.161 -0.926 -12.328 1.00 0.00 H new ATOM 0 HG3 GLN A 141 6.474 0.727 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.679 1.226 -13.930 1.00 0.00 H new ATOM 0 HE22 GLN A 141 4.043 0.317 -15.304 1.00 0.00 H new ATOM 935 N LYS A 142 9.649 -1.853 -10.858 1.00 0.00 N ATOM 936 CA LYS A 142 9.956 -1.802 -9.409 1.00 0.00 C ATOM 937 C LYS A 142 9.022 -0.938 -8.558 1.00 0.00 C ATOM 938 O LYS A 142 8.842 -1.209 -7.376 1.00 0.00 O ATOM 939 CB LYS A 142 11.406 -1.345 -9.186 1.00 0.00 C ATOM 940 CG LYS A 142 12.480 -2.391 -9.529 1.00 0.00 C ATOM 941 CD LYS A 142 12.710 -2.541 -11.039 1.00 0.00 C ATOM 942 CE LYS A 142 13.580 -3.752 -11.359 1.00 0.00 C ATOM 943 NZ LYS A 142 12.874 -4.979 -10.945 1.00 0.00 N ATOM 0 H LYS A 142 10.450 -1.590 -11.432 1.00 0.00 H new ATOM 0 HA LYS A 142 9.800 -2.825 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.586 -0.453 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.523 -1.056 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.418 -2.111 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.186 -3.355 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.750 -2.639 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 142 13.184 -1.639 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.798 -3.786 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 142 14.536 -3.675 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 13.230 -5.787 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 13.039 -5.150 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.854 -4.867 -11.115 1.00 0.00 H new ATOM 944 N ALA A 143 8.286 -0.078 -9.254 1.00 0.00 N ATOM 945 CA ALA A 143 7.233 0.786 -8.707 1.00 0.00 C ATOM 946 C ALA A 143 6.217 0.019 -7.842 1.00 0.00 C ATOM 947 O ALA A 143 5.894 0.459 -6.741 1.00 0.00 O ATOM 948 CB ALA A 143 6.513 1.470 -9.868 1.00 0.00 C ATOM 0 H ALA A 143 8.408 0.045 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 143 7.707 1.518 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.727 2.116 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.225 2.068 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.072 0.715 -10.519 1.00 0.00 H new ATOM 949 N ILE A 144 5.920 -1.218 -8.265 1.00 0.00 N ATOM 950 CA ILE A 144 4.939 -2.100 -7.596 1.00 0.00 C ATOM 951 C ILE A 144 5.551 -3.139 -6.640 1.00 0.00 C ATOM 952 O ILE A 144 4.836 -3.845 -5.934 1.00 0.00 O ATOM 953 CB ILE A 144 4.016 -2.818 -8.597 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.753 -3.804 -9.515 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.199 -1.806 -9.398 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.924 -5.084 -9.697 1.00 0.00 C ATOM 0 H ILE A 144 6.353 -1.642 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 144 4.355 -1.410 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 144 3.333 -3.428 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.937 -3.341 -10.484 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.726 -4.050 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.553 -2.334 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.588 -1.212 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 144 3.872 -1.149 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 144 4.459 -5.774 -10.350 1.00 0.00 H new ATOM 0 HD12 ILE A 144 3.763 -5.554 -8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.962 -4.834 -10.144 1.00 0.00 H new ATOM 957 N LEU A 145 6.874 -3.234 -6.655 1.00 0.00 N ATOM 958 CA LEU A 145 7.627 -4.248 -5.896 1.00 0.00 C ATOM 959 C LEU A 145 7.564 -4.021 -4.379 1.00 0.00 C ATOM 960 O LEU A 145 8.409 -3.326 -3.802 1.00 0.00 O ATOM 961 CB LEU A 145 9.071 -4.267 -6.414 1.00 0.00 C ATOM 962 CG LEU A 145 9.317 -5.426 -7.382 1.00 0.00 C ATOM 963 CD1 LEU A 145 8.635 -5.227 -8.745 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.823 -5.586 -7.586 1.00 0.00 C ATOM 0 H LEU A 145 7.469 -2.607 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 145 7.166 -5.223 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.289 -3.324 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.758 -4.347 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 145 8.881 -6.321 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.847 -6.082 -9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.558 -5.138 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 145 9.016 -4.319 -9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 145 11.011 -6.410 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 145 11.234 -4.665 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 145 11.299 -5.797 -6.629 1.00 0.00 H new ATOM 965 N PHE A 146 6.579 -4.643 -3.748 1.00 0.00 N ATOM 966 CA PHE A 146 6.391 -4.543 -2.296 1.00 0.00 C ATOM 967 C PHE A 146 6.536 -5.898 -1.618 1.00 0.00 C ATOM 968 O PHE A 146 6.033 -6.938 -2.028 1.00 0.00 O ATOM 969 CB PHE A 146 5.027 -3.975 -1.923 1.00 0.00 C ATOM 970 CG PHE A 146 4.897 -2.458 -2.148 1.00 0.00 C ATOM 971 CD1 PHE A 146 4.872 -1.932 -3.463 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.698 -1.624 -1.034 1.00 0.00 C ATOM 973 CE1 PHE A 146 4.665 -0.557 -3.658 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.471 -0.235 -1.228 1.00 0.00 C ATOM 975 CZ PHE A 146 4.460 0.289 -2.540 1.00 0.00 C ATOM 0 H PHE A 146 5.889 -5.229 -4.218 1.00 0.00 H new ATOM 0 HA PHE A 146 7.170 -3.864 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.261 -4.485 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.828 -4.195 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.011 -2.585 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.718 -2.037 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.662 -0.146 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.308 0.414 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.294 1.345 -2.692 1.00 0.00 H new ATOM 976 N LEU A 147 7.252 -5.805 -0.519 1.00 0.00 N ATOM 977 CA LEU A 147 7.605 -6.946 0.339 1.00 0.00 C ATOM 978 C LEU A 147 7.056 -6.737 1.746 1.00 0.00 C ATOM 979 O LEU A 147 7.371 -5.747 2.407 1.00 0.00 O ATOM 980 CB LEU A 147 9.128 -7.115 0.359 1.00 0.00 C ATOM 981 CG LEU A 147 9.524 -8.522 0.817 1.00 0.00 C ATOM 982 CD1 LEU A 147 9.040 -9.610 -0.161 1.00 0.00 C ATOM 983 CD2 LEU A 147 11.047 -8.620 0.948 1.00 0.00 C ATOM 0 H LEU A 147 7.620 -4.917 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 147 7.158 -7.856 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.530 -6.927 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.570 -6.375 1.026 1.00 0.00 H new ATOM 0 HG LEU A 147 9.045 -8.691 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.344 -10.590 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.953 -9.573 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.480 -9.438 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.320 -9.624 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.509 -8.414 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.397 -7.893 1.681 1.00 0.00 H new ATOM 984 N PRO A 148 6.049 -7.541 2.095 1.00 0.00 N ATOM 985 CA PRO A 148 5.570 -7.643 3.474 1.00 0.00 C ATOM 986 C PRO A 148 6.660 -8.208 4.385 1.00 0.00 C ATOM 987 O PRO A 148 7.300 -9.201 4.074 1.00 0.00 O ATOM 988 CB PRO A 148 4.379 -8.593 3.381 1.00 0.00 C ATOM 989 CG PRO A 148 3.798 -8.289 2.010 1.00 0.00 C ATOM 990 CD PRO A 148 5.059 -8.124 1.161 1.00 0.00 C ATOM 0 HA PRO A 148 5.298 -6.678 3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.688 -9.635 3.465 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.655 -8.410 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.164 -9.098 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.189 -7.385 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.400 -9.080 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.882 -7.469 0.308 1.00 0.00 H new ATOM 991 N LEU A 149 6.997 -7.372 5.361 1.00 0.00 N ATOM 992 CA LEU A 149 7.837 -7.759 6.517 1.00 0.00 C ATOM 993 C LEU A 149 7.037 -7.647 7.825 1.00 0.00 C ATOM 994 O LEU A 149 7.311 -6.779 8.660 1.00 0.00 O ATOM 995 CB LEU A 149 9.101 -6.873 6.540 1.00 0.00 C ATOM 996 CG LEU A 149 10.017 -7.039 5.324 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.106 -5.963 5.380 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.658 -8.427 5.271 1.00 0.00 C ATOM 0 H LEU A 149 6.699 -6.397 5.384 1.00 0.00 H new ATOM 0 HA LEU A 149 8.145 -8.800 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.796 -5.829 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.671 -7.099 7.441 1.00 0.00 H new ATOM 0 HG LEU A 149 9.415 -6.930 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.767 -6.069 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.644 -4.976 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.684 -6.077 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.299 -8.498 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.255 -8.587 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.878 -9.186 5.214 1.00 0.00 H new ATOM 999 N PRO A 150 6.011 -8.497 8.035 1.00 0.00 N ATOM 1000 CA PRO A 150 5.185 -8.351 9.230 1.00 0.00 C ATOM 1001 C PRO A 150 5.889 -8.883 10.477 1.00 0.00 C ATOM 1002 O PRO A 150 6.395 -10.005 10.536 1.00 0.00 O ATOM 1003 CB PRO A 150 3.869 -9.014 8.885 1.00 0.00 C ATOM 1004 CG PRO A 150 4.278 -10.145 7.938 1.00 0.00 C ATOM 1005 CD PRO A 150 5.508 -9.597 7.188 1.00 0.00 C ATOM 0 HA PRO A 150 5.001 -7.311 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 150 3.367 -9.396 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 150 3.182 -8.317 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.521 -11.054 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.472 -10.396 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.265 -10.370 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.238 -9.239 6.195 1.00 0.00 H new