USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=36 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 110 THR OG1 : rot 162:sc= 0.544 USER MOD Set 1.2: A 139 TYR OH : rot -82:sc= -0.465 USER MOD Set 2.1: A 113 SER OG : rot 120:sc= 0 USER MOD Set 2.2: A 116 HIS : no HE2:sc= -2.05 K(o=-2.8,f=-2.1) USER MOD Set 2.3: A 119 LYS NZ :NH3+ -148:sc= -0.778 (180deg=0) USER MOD Set 3.1: A 90 SER OG : rot -96:sc= 1.03 USER MOD Set 3.2: A 97 CYS SG : rot 180:sc= 0.158 USER MOD Set 4.1: A 77 GLN : amide:sc= -2.96! C(o=-2.7!,f=-2.4!) USER MOD Set 4.2: A 91 GLN : amide:sc= 0.263 K(o=-2.7,f=-5.1!) USER MOD Set 5.1: A 52 SER OG : rot 180:sc= 0.447 USER MOD Set 5.2: A 54 GLN : amide:sc= 0.112 K(o=-5.3,f=-6.1) USER MOD Set 5.3: A 55 HIS : no HD1:sc= -4.3 K(o=-5.3,f=-6.8!) USER MOD Set 5.4: A 75 THR OG1 : rot -88:sc= -1.55 USER MOD Set 6.1: A 30 CYS SG : rot 140:sc= 0.00636 USER MOD Set 6.2: A 32 ASN : amide:sc= -0.959 K(o=-0.95,f=-8!) USER MOD Set 7.1: A 29 TYR OH : rot 178:sc= 1.19 USER MOD Set 7.2: A 57 GLN : amide:sc= -3.35! C(o=-2.2!,f=-3.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -3.3 X(o=-3.3,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot -70:sc= -0.185 USER MOD Single : A 48 THR OG1 : rot -163:sc= 1.55 USER MOD Single : A 59 GLN : amide:sc= -0.911! C(o=-0.91!,f=-11!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -106:sc= 0.593 USER MOD Single : A 69 TYR OH : rot 13:sc= 0.00789 USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= -0.102 (180deg=-0.133) USER MOD Single : A 72 SER OG : rot 67:sc= 0.687 USER MOD Single : A 73 THR OG1 : rot -21:sc= 0.736 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 176:sc= -1.53 (180deg=-1.62!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 94 ASN : amide:sc= -0.503 K(o=-0.5,f=-8!) USER MOD Single : A 106 ASN : amide:sc= -0.238 K(o=-0.24,f=-4.3!) USER MOD Single : A 107 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.68) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.421 K(o=0.42,f=-1.4!) USER MOD Single : A 111 TYR OH : rot 11:sc= -0.038 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= -0.179 (180deg=-0.795) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ -115:sc= -1.23! (180deg=-3.53!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.0099) USER MOD Single : A 130 SER OG : rot 100:sc= -1.3 USER MOD Single : A 131 CYS SG : rot -70:sc= -4.17! USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 114:sc= 0.463 USER MOD Single : A 138 HIS : no HE2:sc= 0.186 K(o=0.19,f=-0.84) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 142 LYS NZ :NH3+ -148:sc= -1.25 (180deg=-2.7!) USER MOD Single : A 152 SER OG : rot 54:sc= 0.757 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -7.994 6.731 7.828 1.00 0.00 N ATOM 2 CA LEU A 28 -9.148 6.513 6.930 1.00 0.00 C ATOM 3 C LEU A 28 -8.998 6.992 5.471 1.00 0.00 C ATOM 4 O LEU A 28 -9.946 7.348 4.762 1.00 0.00 O ATOM 5 CB LEU A 28 -10.422 7.052 7.601 1.00 0.00 C ATOM 6 CG LEU A 28 -10.838 6.116 8.748 1.00 0.00 C ATOM 7 CD1 LEU A 28 -11.811 6.830 9.684 1.00 0.00 C ATOM 8 CD2 LEU A 28 -11.429 4.803 8.220 1.00 0.00 C ATOM 0 HA LEU A 28 -9.214 5.433 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.246 8.057 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.227 7.127 6.869 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.945 5.855 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.098 6.157 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.331 7.715 10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.699 7.128 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.711 4.167 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.310 5.018 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.686 4.289 7.610 1.00 0.00 H new ATOM 9 N TYR A 29 -7.777 6.770 4.981 1.00 0.00 N ATOM 10 CA TYR A 29 -7.387 6.983 3.574 1.00 0.00 C ATOM 11 C TYR A 29 -7.575 5.626 2.861 1.00 0.00 C ATOM 12 O TYR A 29 -6.631 4.970 2.418 1.00 0.00 O ATOM 13 CB TYR A 29 -5.918 7.398 3.614 1.00 0.00 C ATOM 14 CG TYR A 29 -5.364 8.094 2.371 1.00 0.00 C ATOM 15 CD1 TYR A 29 -5.710 7.727 1.047 1.00 0.00 C ATOM 16 CD2 TYR A 29 -4.402 9.087 2.623 1.00 0.00 C ATOM 17 CE1 TYR A 29 -5.069 8.384 -0.035 1.00 0.00 C ATOM 18 CE2 TYR A 29 -3.767 9.742 1.556 1.00 0.00 C ATOM 19 CZ TYR A 29 -4.109 9.377 0.241 1.00 0.00 C ATOM 20 OH TYR A 29 -3.431 9.990 -0.757 1.00 0.00 O ATOM 0 H TYR A 29 -7.009 6.429 5.560 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.969 7.742 3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.776 8.062 4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.318 6.507 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.449 6.961 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.150 9.347 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.314 8.127 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.031 10.510 1.741 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.835 10.669 -0.378 1.00 0.00 H new ATOM 21 N CYS A 30 -8.834 5.213 2.897 1.00 0.00 N ATOM 22 CA CYS A 30 -9.288 3.862 2.499 1.00 0.00 C ATOM 23 C CYS A 30 -10.796 3.718 2.678 1.00 0.00 C ATOM 24 O CYS A 30 -11.433 4.418 3.463 1.00 0.00 O ATOM 25 CB CYS A 30 -8.610 2.794 3.365 1.00 0.00 C ATOM 26 SG CYS A 30 -8.802 3.083 5.174 1.00 0.00 S ATOM 0 H CYS A 30 -9.597 5.813 3.210 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.024 3.728 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.025 1.818 3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.548 2.760 3.121 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.027 1.951 5.773 1.00 0.00 H new ATOM 27 N SER A 31 -11.312 2.755 1.936 1.00 0.00 N ATOM 28 CA SER A 31 -12.693 2.294 2.069 1.00 0.00 C ATOM 29 C SER A 31 -12.912 1.239 3.174 1.00 0.00 C ATOM 30 O SER A 31 -14.031 0.775 3.364 1.00 0.00 O ATOM 31 CB SER A 31 -13.144 1.702 0.732 1.00 0.00 C ATOM 32 OG SER A 31 -14.518 2.016 0.600 1.00 0.00 O ATOM 0 H SER A 31 -10.784 2.263 1.216 1.00 0.00 H new ATOM 0 HA SER A 31 -13.280 3.166 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.568 2.122 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.988 0.623 0.712 1.00 0.00 H new ATOM 0 HG SER A 31 -14.856 1.657 -0.247 1.00 0.00 H new ATOM 33 N ASN A 32 -11.841 0.866 3.872 1.00 0.00 N ATOM 34 CA ASN A 32 -11.946 -0.080 5.001 1.00 0.00 C ATOM 35 C ASN A 32 -11.938 0.670 6.339 1.00 0.00 C ATOM 36 O ASN A 32 -11.666 1.870 6.371 1.00 0.00 O ATOM 37 CB ASN A 32 -10.844 -1.157 4.911 1.00 0.00 C ATOM 38 CG ASN A 32 -9.488 -0.838 5.543 1.00 0.00 C ATOM 39 OD1 ASN A 32 -8.822 0.113 5.172 1.00 0.00 O ATOM 40 ND2 ASN A 32 -9.090 -1.612 6.530 1.00 0.00 N ATOM 0 H ASN A 32 -10.894 1.196 3.684 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.901 -0.602 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.225 -2.067 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.679 -1.381 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.206 -1.422 7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.665 -2.402 6.822 1.00 0.00 H new ATOM 41 N GLY A 33 -12.048 -0.100 7.416 1.00 0.00 N ATOM 42 CA GLY A 33 -11.930 0.421 8.804 1.00 0.00 C ATOM 43 C GLY A 33 -10.436 0.456 9.125 1.00 0.00 C ATOM 44 O GLY A 33 -9.936 -0.402 9.844 1.00 0.00 O ATOM 0 H GLY A 33 -12.221 -1.104 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.368 1.416 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.463 -0.220 9.506 1.00 0.00 H new ATOM 45 N GLY A 34 -9.767 1.275 8.331 1.00 0.00 N ATOM 46 CA GLY A 34 -8.301 1.317 8.249 1.00 0.00 C ATOM 47 C GLY A 34 -7.650 2.605 8.723 1.00 0.00 C ATOM 48 O GLY A 34 -8.026 3.238 9.702 1.00 0.00 O ATOM 0 H GLY A 34 -10.226 1.943 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.899 0.491 8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.009 1.144 7.213 1.00 0.00 H new ATOM 49 N HIS A 35 -6.606 2.934 7.967 1.00 0.00 N ATOM 50 CA HIS A 35 -5.580 3.896 8.403 1.00 0.00 C ATOM 51 C HIS A 35 -5.112 4.758 7.219 1.00 0.00 C ATOM 52 O HIS A 35 -5.890 5.139 6.354 1.00 0.00 O ATOM 53 CB HIS A 35 -4.421 3.063 8.994 1.00 0.00 C ATOM 54 CG HIS A 35 -4.837 1.926 9.939 1.00 0.00 C ATOM 55 ND1 HIS A 35 -5.169 0.694 9.569 1.00 0.00 N ATOM 56 CD2 HIS A 35 -5.253 2.104 11.184 1.00 0.00 C ATOM 57 CE1 HIS A 35 -5.847 0.134 10.555 1.00 0.00 C ATOM 58 NE2 HIS A 35 -5.905 1.008 11.557 1.00 0.00 N ATOM 0 H HIS A 35 -6.441 2.547 7.038 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.971 4.587 9.150 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.847 2.636 8.171 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.753 3.734 9.534 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.091 2.984 11.789 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.277 -0.856 10.549 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.369 0.862 12.454 1.00 0.00 H new ATOM 59 N PHE A 36 -3.802 4.994 7.172 1.00 0.00 N ATOM 60 CA PHE A 36 -3.111 5.668 6.067 1.00 0.00 C ATOM 61 C PHE A 36 -1.938 4.751 5.728 1.00 0.00 C ATOM 62 O PHE A 36 -1.365 4.103 6.603 1.00 0.00 O ATOM 63 CB PHE A 36 -2.560 7.017 6.515 1.00 0.00 C ATOM 64 CG PHE A 36 -3.569 8.175 6.482 1.00 0.00 C ATOM 65 CD1 PHE A 36 -4.729 8.167 7.301 1.00 0.00 C ATOM 66 CD2 PHE A 36 -3.234 9.312 5.717 1.00 0.00 C ATOM 67 CE1 PHE A 36 -5.543 9.314 7.355 1.00 0.00 C ATOM 68 CE2 PHE A 36 -4.056 10.464 5.775 1.00 0.00 C ATOM 69 CZ PHE A 36 -5.208 10.451 6.590 1.00 0.00 C ATOM 0 H PHE A 36 -3.171 4.714 7.923 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.782 5.846 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.178 6.917 7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.713 7.275 5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.984 7.290 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.355 9.304 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.423 9.324 7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.804 11.344 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.842 11.324 6.629 1.00 0.00 H new ATOM 70 N LEU A 37 -1.733 4.572 4.432 1.00 0.00 N ATOM 71 CA LEU A 37 -0.614 3.780 3.893 1.00 0.00 C ATOM 72 C LEU A 37 0.679 4.582 4.135 1.00 0.00 C ATOM 73 O LEU A 37 1.148 5.351 3.296 1.00 0.00 O ATOM 74 CB LEU A 37 -0.971 3.547 2.424 1.00 0.00 C ATOM 75 CG LEU A 37 -0.073 2.572 1.668 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.134 1.152 2.254 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.563 2.556 0.226 1.00 0.00 C ATOM 0 H LEU A 37 -2.336 4.970 3.712 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.449 2.810 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.997 3.181 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.949 4.507 1.908 1.00 0.00 H new ATOM 0 HG LEU A 37 0.965 2.895 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.521 0.494 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.191 1.173 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.157 0.780 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.050 1.870 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.602 2.228 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.488 3.559 -0.195 1.00 0.00 H new ATOM 78 N ARG A 38 1.148 4.426 5.369 1.00 0.00 N ATOM 79 CA ARG A 38 2.166 5.322 5.957 1.00 0.00 C ATOM 80 C ARG A 38 3.534 5.333 5.262 1.00 0.00 C ATOM 81 O ARG A 38 3.942 6.384 4.796 1.00 0.00 O ATOM 82 CB ARG A 38 2.225 5.196 7.490 1.00 0.00 C ATOM 83 CG ARG A 38 3.261 6.159 8.110 1.00 0.00 C ATOM 84 CD ARG A 38 3.105 6.578 9.580 1.00 0.00 C ATOM 85 NE ARG A 38 2.915 5.343 10.354 1.00 0.00 N ATOM 86 CZ ARG A 38 2.760 5.173 11.669 1.00 0.00 C ATOM 87 NH1 ARG A 38 2.742 6.155 12.561 1.00 0.00 N ATOM 88 NH2 ARG A 38 2.691 3.932 12.109 1.00 0.00 N ATOM 0 H ARG A 38 0.842 3.682 5.996 1.00 0.00 H new ATOM 0 HA ARG A 38 1.809 6.329 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.240 5.404 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.476 4.170 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.243 5.699 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.267 7.068 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.987 7.118 9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.253 7.247 9.703 1.00 0.00 H new ATOM 0 HE ARG A 38 2.899 4.485 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.852 7.122 12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.619 5.943 13.551 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.756 3.154 11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.573 3.750 13.106 1.00 0.00 H new ATOM 89 N ILE A 39 4.146 4.163 5.096 1.00 0.00 N ATOM 90 CA ILE A 39 5.529 4.027 4.571 1.00 0.00 C ATOM 91 C ILE A 39 6.483 4.900 5.405 1.00 0.00 C ATOM 92 O ILE A 39 6.847 6.024 5.079 1.00 0.00 O ATOM 93 CB ILE A 39 5.612 4.338 3.050 1.00 0.00 C ATOM 94 CG1 ILE A 39 4.367 3.881 2.266 1.00 0.00 C ATOM 95 CG2 ILE A 39 6.837 3.612 2.490 1.00 0.00 C ATOM 96 CD1 ILE A 39 4.085 4.755 1.042 1.00 0.00 C ATOM 0 H ILE A 39 3.706 3.270 5.319 1.00 0.00 H new ATOM 0 HA ILE A 39 5.841 2.987 4.671 1.00 0.00 H new ATOM 0 HB ILE A 39 5.680 5.420 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.503 2.848 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.500 3.898 2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.922 3.812 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.734 3.967 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.729 2.539 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.197 4.386 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.919 5.784 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.938 4.718 0.364 1.00 0.00 H new ATOM 97 N LEU A 40 6.817 4.289 6.534 1.00 0.00 N ATOM 98 CA LEU A 40 7.615 4.882 7.614 1.00 0.00 C ATOM 99 C LEU A 40 9.100 5.012 7.238 1.00 0.00 C ATOM 100 O LEU A 40 9.648 4.069 6.661 1.00 0.00 O ATOM 101 CB LEU A 40 7.556 4.031 8.883 1.00 0.00 C ATOM 102 CG LEU A 40 6.307 4.276 9.694 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.168 3.459 9.124 1.00 0.00 C ATOM 104 CD2 LEU A 40 6.580 3.886 11.140 1.00 0.00 C ATOM 0 H LEU A 40 6.532 3.331 6.736 1.00 0.00 H new ATOM 0 HA LEU A 40 7.183 5.868 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.606 2.977 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.431 4.243 9.498 1.00 0.00 H new ATOM 0 HG LEU A 40 6.028 5.329 9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.265 3.635 9.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.992 3.752 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.425 2.400 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.685 4.058 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.851 2.831 11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.399 4.489 11.531 1.00 0.00 H new ATOM 105 N PRO A 41 9.779 5.998 7.840 1.00 0.00 N ATOM 106 CA PRO A 41 11.251 6.104 7.799 1.00 0.00 C ATOM 107 C PRO A 41 11.922 4.876 8.446 1.00 0.00 C ATOM 108 O PRO A 41 12.896 4.355 7.916 1.00 0.00 O ATOM 109 CB PRO A 41 11.588 7.401 8.531 1.00 0.00 C ATOM 110 CG PRO A 41 10.389 7.645 9.455 1.00 0.00 C ATOM 111 CD PRO A 41 9.198 7.029 8.725 1.00 0.00 C ATOM 0 HA PRO A 41 11.627 6.125 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.514 7.307 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.725 8.227 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.540 7.179 10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.237 8.710 9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.489 6.591 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.656 7.781 8.151 1.00 0.00 H new ATOM 112 N ASP A 42 11.211 4.311 9.418 1.00 0.00 N ATOM 113 CA ASP A 42 11.536 3.076 10.167 1.00 0.00 C ATOM 114 C ASP A 42 11.385 1.767 9.361 1.00 0.00 C ATOM 115 O ASP A 42 10.980 0.734 9.893 1.00 0.00 O ATOM 116 CB ASP A 42 10.588 3.080 11.380 1.00 0.00 C ATOM 117 CG ASP A 42 11.047 4.042 12.467 1.00 0.00 C ATOM 118 OD1 ASP A 42 10.622 5.217 12.376 1.00 0.00 O ATOM 119 OD2 ASP A 42 11.799 3.593 13.364 1.00 0.00 O ATOM 0 H ASP A 42 10.332 4.722 9.733 1.00 0.00 H new ATOM 0 HA ASP A 42 12.592 3.088 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.585 3.355 11.054 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.524 2.073 11.792 1.00 0.00 H new ATOM 120 N GLY A 43 11.562 1.893 8.044 1.00 0.00 N ATOM 121 CA GLY A 43 11.533 0.794 7.065 1.00 0.00 C ATOM 122 C GLY A 43 10.312 -0.130 7.143 1.00 0.00 C ATOM 123 O GLY A 43 10.363 -1.274 6.701 1.00 0.00 O ATOM 0 H GLY A 43 11.737 2.799 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.579 1.222 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.432 0.191 7.196 1.00 0.00 H new ATOM 124 N THR A 44 9.147 0.459 7.438 1.00 0.00 N ATOM 125 CA THR A 44 7.884 -0.289 7.630 1.00 0.00 C ATOM 126 C THR A 44 6.732 0.369 6.899 1.00 0.00 C ATOM 127 O THR A 44 6.704 1.592 6.736 1.00 0.00 O ATOM 128 CB THR A 44 7.408 -0.350 9.088 1.00 0.00 C ATOM 129 OG1 THR A 44 7.722 0.862 9.772 1.00 0.00 O ATOM 130 CG2 THR A 44 7.843 -1.614 9.814 1.00 0.00 C ATOM 0 H THR A 44 9.046 1.468 7.552 1.00 0.00 H new ATOM 0 HA THR A 44 8.125 -1.284 7.257 1.00 0.00 H new ATOM 0 HB THR A 44 6.321 -0.428 9.079 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.692 0.923 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.472 -1.591 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.437 -2.486 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.931 -1.672 9.823 1.00 0.00 H new ATOM 131 N VAL A 45 5.766 -0.442 6.509 1.00 0.00 N ATOM 132 CA VAL A 45 4.488 0.106 6.059 1.00 0.00 C ATOM 133 C VAL A 45 3.406 -0.511 6.945 1.00 0.00 C ATOM 134 O VAL A 45 3.001 -1.664 6.779 1.00 0.00 O ATOM 135 CB VAL A 45 4.236 -0.128 4.575 1.00 0.00 C ATOM 136 CG1 VAL A 45 3.042 0.703 4.101 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.432 0.252 3.703 1.00 0.00 C ATOM 0 H VAL A 45 5.832 -1.460 6.492 1.00 0.00 H new ATOM 0 HA VAL A 45 4.487 1.191 6.160 1.00 0.00 H new ATOM 0 HB VAL A 45 4.047 -1.196 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.874 0.526 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.153 0.415 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.247 1.761 4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.194 0.064 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.660 1.309 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.297 -0.345 3.991 1.00 0.00 H new ATOM 138 N ASP A 46 3.236 0.200 8.054 1.00 0.00 N ATOM 139 CA ASP A 46 2.143 -0.066 9.003 1.00 0.00 C ATOM 140 C ASP A 46 1.264 1.188 9.130 1.00 0.00 C ATOM 141 O ASP A 46 1.768 2.305 9.175 1.00 0.00 O ATOM 142 CB ASP A 46 2.603 -0.460 10.396 1.00 0.00 C ATOM 143 CG ASP A 46 3.423 -1.753 10.410 1.00 0.00 C ATOM 144 OD1 ASP A 46 3.246 -2.580 9.490 1.00 0.00 O ATOM 145 OD2 ASP A 46 4.285 -1.855 11.311 1.00 0.00 O ATOM 0 H ASP A 46 3.843 0.973 8.326 1.00 0.00 H new ATOM 0 HA ASP A 46 1.597 -0.916 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.201 0.348 10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.732 -0.581 11.040 1.00 0.00 H new ATOM 146 N GLY A 47 -0.031 0.951 8.990 1.00 0.00 N ATOM 147 CA GLY A 47 -1.066 1.953 9.273 1.00 0.00 C ATOM 148 C GLY A 47 -1.088 2.211 10.785 1.00 0.00 C ATOM 149 O GLY A 47 -0.364 1.583 11.552 1.00 0.00 O ATOM 0 H GLY A 47 -0.403 0.055 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.857 2.877 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.040 1.599 8.934 1.00 0.00 H new ATOM 150 N THR A 48 -2.111 2.958 11.183 1.00 0.00 N ATOM 151 CA THR A 48 -2.155 3.614 12.503 1.00 0.00 C ATOM 152 C THR A 48 -3.454 4.400 12.712 1.00 0.00 C ATOM 153 O THR A 48 -3.929 5.089 11.804 1.00 0.00 O ATOM 154 CB THR A 48 -0.964 4.579 12.636 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.036 5.254 13.898 1.00 0.00 O ATOM 156 CG2 THR A 48 -0.841 5.553 11.454 1.00 0.00 C ATOM 0 H THR A 48 -2.936 3.131 10.608 1.00 0.00 H new ATOM 0 HA THR A 48 -2.106 2.831 13.260 1.00 0.00 H new ATOM 0 HB THR A 48 -0.047 3.990 12.605 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.452 6.041 13.882 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.018 6.206 11.609 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.707 4.990 10.531 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.747 6.155 11.383 1.00 0.00 H new ATOM 157 N ARG A 49 -4.029 4.204 13.880 1.00 0.00 N ATOM 158 CA ARG A 49 -5.138 5.059 14.387 1.00 0.00 C ATOM 159 C ARG A 49 -4.666 6.435 14.900 1.00 0.00 C ATOM 160 O ARG A 49 -5.472 7.301 15.233 1.00 0.00 O ATOM 161 CB ARG A 49 -5.904 4.321 15.493 1.00 0.00 C ATOM 162 CG ARG A 49 -6.496 2.965 15.048 1.00 0.00 C ATOM 163 CD ARG A 49 -7.496 3.071 13.895 1.00 0.00 C ATOM 164 NE ARG A 49 -8.694 3.824 14.313 1.00 0.00 N ATOM 165 CZ ARG A 49 -9.580 4.416 13.509 1.00 0.00 C ATOM 166 NH1 ARG A 49 -9.545 4.267 12.189 1.00 0.00 N ATOM 167 NH2 ARG A 49 -10.601 5.070 14.035 1.00 0.00 N ATOM 0 H ARG A 49 -3.759 3.457 14.520 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.794 5.253 13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.234 4.154 16.336 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.712 4.960 15.850 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.681 2.305 14.749 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.989 2.498 15.901 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.027 3.566 13.045 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.784 2.073 13.564 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.862 3.900 15.316 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.825 3.685 11.760 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.238 4.734 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.707 5.120 15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.282 5.525 13.428 1.00 0.00 H new ATOM 168 N ASP A 50 -3.349 6.574 15.051 1.00 0.00 N ATOM 169 CA ASP A 50 -2.684 7.813 15.481 1.00 0.00 C ATOM 170 C ASP A 50 -1.629 8.197 14.431 1.00 0.00 C ATOM 171 O ASP A 50 -0.467 7.768 14.468 1.00 0.00 O ATOM 172 CB ASP A 50 -2.053 7.562 16.844 1.00 0.00 C ATOM 173 CG ASP A 50 -3.094 7.545 17.963 1.00 0.00 C ATOM 174 OD1 ASP A 50 -3.350 8.635 18.519 1.00 0.00 O ATOM 175 OD2 ASP A 50 -3.582 6.429 18.279 1.00 0.00 O ATOM 0 H ASP A 50 -2.695 5.811 14.874 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.390 8.638 15.569 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.522 6.610 16.828 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.313 8.336 17.049 1.00 0.00 H new ATOM 176 N ARG A 51 -2.118 8.870 13.404 1.00 0.00 N ATOM 177 CA ARG A 51 -1.322 9.240 12.215 1.00 0.00 C ATOM 178 C ARG A 51 -0.288 10.292 12.575 1.00 0.00 C ATOM 179 O ARG A 51 -0.630 11.448 12.857 1.00 0.00 O ATOM 180 CB ARG A 51 -2.241 9.705 11.068 1.00 0.00 C ATOM 181 CG ARG A 51 -3.265 8.648 10.655 1.00 0.00 C ATOM 182 CD ARG A 51 -4.581 8.793 11.423 1.00 0.00 C ATOM 183 NE ARG A 51 -5.401 7.582 11.247 1.00 0.00 N ATOM 184 CZ ARG A 51 -6.714 7.525 11.025 1.00 0.00 C ATOM 185 NH1 ARG A 51 -7.434 8.604 10.742 1.00 0.00 N ATOM 186 NH2 ARG A 51 -7.313 6.345 11.018 1.00 0.00 N ATOM 0 H ARG A 51 -3.087 9.185 13.358 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.785 8.359 11.863 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.765 10.610 11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.630 9.968 10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.459 8.729 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.851 7.655 10.829 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.378 8.955 12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.126 9.667 11.066 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.910 6.689 11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.984 9.518 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.437 8.519 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.771 5.497 11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.317 6.284 10.850 1.00 0.00 H new ATOM 187 N SER A 52 0.977 9.902 12.458 1.00 0.00 N ATOM 188 CA SER A 52 2.123 10.712 12.918 1.00 0.00 C ATOM 189 C SER A 52 2.571 11.799 11.942 1.00 0.00 C ATOM 190 O SER A 52 3.749 12.049 11.696 1.00 0.00 O ATOM 191 CB SER A 52 3.290 9.799 13.273 1.00 0.00 C ATOM 192 OG SER A 52 3.627 8.982 12.149 1.00 0.00 O ATOM 0 H SER A 52 1.248 9.012 12.040 1.00 0.00 H new ATOM 0 HA SER A 52 1.775 11.249 13.800 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.152 10.395 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.026 9.171 14.124 1.00 0.00 H new ATOM 0 HG SER A 52 4.379 8.398 12.382 1.00 0.00 H new ATOM 193 N ASP A 53 1.531 12.489 11.469 1.00 0.00 N ATOM 194 CA ASP A 53 1.488 13.653 10.555 1.00 0.00 C ATOM 195 C ASP A 53 2.284 13.675 9.248 1.00 0.00 C ATOM 196 O ASP A 53 1.841 14.267 8.261 1.00 0.00 O ATOM 197 CB ASP A 53 1.703 14.962 11.334 1.00 0.00 C ATOM 198 CG ASP A 53 3.052 15.026 12.069 1.00 0.00 C ATOM 199 OD1 ASP A 53 4.039 15.383 11.399 1.00 0.00 O ATOM 200 OD2 ASP A 53 3.063 14.678 13.268 1.00 0.00 O ATOM 0 H ASP A 53 0.586 12.222 11.744 1.00 0.00 H new ATOM 0 HA ASP A 53 0.479 13.537 10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.635 15.802 10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.898 15.080 12.059 1.00 0.00 H new ATOM 201 N GLN A 54 3.392 12.940 9.214 1.00 0.00 N ATOM 202 CA GLN A 54 4.374 12.997 8.132 1.00 0.00 C ATOM 203 C GLN A 54 4.299 11.843 7.123 1.00 0.00 C ATOM 204 O GLN A 54 3.596 11.976 6.119 1.00 0.00 O ATOM 205 CB GLN A 54 5.772 13.165 8.752 1.00 0.00 C ATOM 206 CG GLN A 54 6.828 13.512 7.698 1.00 0.00 C ATOM 207 CD GLN A 54 8.272 13.392 8.194 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.594 12.857 9.251 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.189 13.763 7.325 1.00 0.00 N ATOM 0 H GLN A 54 3.638 12.277 9.949 1.00 0.00 H new ATOM 0 HA GLN A 54 4.135 13.863 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.742 13.950 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.056 12.244 9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.695 12.856 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.658 14.531 7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.912 14.207 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.176 13.607 7.527 1.00 0.00 H new ATOM 210 N HIS A 55 4.837 10.679 7.477 1.00 0.00 N ATOM 211 CA HIS A 55 5.178 9.570 6.553 1.00 0.00 C ATOM 212 C HIS A 55 4.017 9.153 5.625 1.00 0.00 C ATOM 213 O HIS A 55 4.173 9.185 4.414 1.00 0.00 O ATOM 214 CB HIS A 55 5.714 8.390 7.389 1.00 0.00 C ATOM 215 CG HIS A 55 6.353 8.793 8.730 1.00 0.00 C ATOM 216 ND1 HIS A 55 5.900 8.424 9.928 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.260 9.742 8.919 1.00 0.00 C ATOM 218 CE1 HIS A 55 6.509 9.156 10.850 1.00 0.00 C ATOM 219 NE2 HIS A 55 7.355 9.974 10.224 1.00 0.00 N ATOM 0 H HIS A 55 5.061 10.461 8.448 1.00 0.00 H new ATOM 0 HA HIS A 55 5.950 9.920 5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.894 7.699 7.585 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.453 7.849 6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.825 10.241 8.145 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.349 9.100 11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.968 10.658 10.668 1.00 0.00 H new ATOM 220 N ILE A 56 2.854 9.206 6.276 1.00 0.00 N ATOM 221 CA ILE A 56 1.481 8.953 5.792 1.00 0.00 C ATOM 222 C ILE A 56 1.066 9.362 4.369 1.00 0.00 C ATOM 223 O ILE A 56 0.170 8.742 3.795 1.00 0.00 O ATOM 224 CB ILE A 56 0.452 9.485 6.818 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.719 10.923 7.296 1.00 0.00 C ATOM 226 CG2 ILE A 56 0.325 8.556 8.016 1.00 0.00 C ATOM 227 CD1 ILE A 56 -0.159 11.948 6.573 1.00 0.00 C ATOM 0 H ILE A 56 2.842 9.454 7.265 1.00 0.00 H new ATOM 0 HA ILE A 56 1.489 7.867 5.701 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.492 9.510 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.539 10.986 8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.769 11.168 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.406 8.962 8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.001 7.572 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.291 8.468 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.067 12.947 6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.040 11.906 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.209 11.721 6.756 1.00 0.00 H new ATOM 228 N GLN A 57 1.614 10.470 3.863 1.00 0.00 N ATOM 229 CA GLN A 57 1.220 10.964 2.537 1.00 0.00 C ATOM 230 C GLN A 57 1.905 10.224 1.387 1.00 0.00 C ATOM 231 O GLN A 57 3.075 10.439 1.060 1.00 0.00 O ATOM 232 CB GLN A 57 1.331 12.484 2.397 1.00 0.00 C ATOM 233 CG GLN A 57 -0.054 13.098 2.175 1.00 0.00 C ATOM 234 CD GLN A 57 -0.781 12.569 0.917 1.00 0.00 C ATOM 235 OE1 GLN A 57 -1.806 11.909 0.968 1.00 0.00 O ATOM 236 NE2 GLN A 57 -0.303 12.933 -0.246 1.00 0.00 N ATOM 0 H GLN A 57 2.318 11.034 4.339 1.00 0.00 H new ATOM 0 HA GLN A 57 0.158 10.731 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.785 12.907 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.985 12.733 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.673 12.900 3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.048 14.180 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.553 13.485 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.787 12.665 -1.103 1.00 0.00 H new ATOM 237 N LEU A 58 1.069 9.428 0.738 1.00 0.00 N ATOM 238 CA LEU A 58 1.469 8.456 -0.291 1.00 0.00 C ATOM 239 C LEU A 58 1.226 8.985 -1.717 1.00 0.00 C ATOM 240 O LEU A 58 0.275 9.713 -1.990 1.00 0.00 O ATOM 241 CB LEU A 58 0.734 7.140 -0.005 1.00 0.00 C ATOM 242 CG LEU A 58 -0.762 7.232 -0.331 1.00 0.00 C ATOM 243 CD1 LEU A 58 -1.019 6.581 -1.687 1.00 0.00 C ATOM 244 CD2 LEU A 58 -1.620 6.581 0.762 1.00 0.00 C ATOM 0 H LEU A 58 0.064 9.434 0.911 1.00 0.00 H new ATOM 0 HA LEU A 58 2.544 8.283 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.184 6.339 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.860 6.876 1.045 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.048 8.283 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.081 6.643 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.444 7.100 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.716 5.535 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.674 6.666 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.353 5.528 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.444 7.086 1.712 1.00 0.00 H new ATOM 245 N GLN A 59 2.180 8.664 -2.582 1.00 0.00 N ATOM 246 CA GLN A 59 2.121 9.086 -3.985 1.00 0.00 C ATOM 247 C GLN A 59 2.685 8.098 -4.990 1.00 0.00 C ATOM 248 O GLN A 59 3.798 7.603 -4.835 1.00 0.00 O ATOM 249 CB GLN A 59 2.950 10.368 -4.046 1.00 0.00 C ATOM 250 CG GLN A 59 2.584 11.282 -5.205 1.00 0.00 C ATOM 251 CD GLN A 59 2.986 12.696 -4.815 1.00 0.00 C ATOM 252 OE1 GLN A 59 2.328 13.367 -4.034 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.151 13.109 -5.247 1.00 0.00 N ATOM 0 H GLN A 59 3.005 8.114 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 59 1.073 9.195 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.826 10.915 -3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.005 10.104 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.100 10.974 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.515 11.230 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.686 12.535 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.524 14.005 -4.932 1.00 0.00 H new ATOM 254 N LEU A 60 1.988 7.967 -6.100 1.00 0.00 N ATOM 255 CA LEU A 60 2.483 7.096 -7.163 1.00 0.00 C ATOM 256 C LEU A 60 3.275 7.699 -8.312 1.00 0.00 C ATOM 257 O LEU A 60 2.803 8.427 -9.183 1.00 0.00 O ATOM 258 CB LEU A 60 1.540 6.018 -7.703 1.00 0.00 C ATOM 259 CG LEU A 60 0.032 6.301 -7.759 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.484 6.082 -6.346 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.381 7.644 -8.376 1.00 0.00 C ATOM 0 H LEU A 60 1.102 8.434 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 60 3.216 6.609 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.866 5.774 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.684 5.123 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.436 5.616 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.558 6.268 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.286 5.054 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.021 6.766 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.467 7.732 -8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.057 8.459 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.027 7.696 -9.405 1.00 0.00 H new ATOM 262 N SER A 61 4.527 7.288 -8.237 1.00 0.00 N ATOM 263 CA SER A 61 5.563 7.531 -9.254 1.00 0.00 C ATOM 264 C SER A 61 5.602 6.301 -10.158 1.00 0.00 C ATOM 265 O SER A 61 6.235 5.280 -9.896 1.00 0.00 O ATOM 266 CB SER A 61 6.911 7.676 -8.574 1.00 0.00 C ATOM 267 OG SER A 61 6.795 8.600 -7.490 1.00 0.00 O ATOM 0 H SER A 61 4.875 6.755 -7.440 1.00 0.00 H new ATOM 0 HA SER A 61 5.345 8.437 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.252 6.708 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.656 8.027 -9.288 1.00 0.00 H new ATOM 0 HG SER A 61 7.664 8.695 -7.047 1.00 0.00 H new ATOM 268 N ALA A 62 4.544 6.285 -10.948 1.00 0.00 N ATOM 269 CA ALA A 62 4.324 5.245 -11.957 1.00 0.00 C ATOM 270 C ALA A 62 5.391 5.204 -13.054 1.00 0.00 C ATOM 271 O ALA A 62 5.525 6.087 -13.898 1.00 0.00 O ATOM 272 CB ALA A 62 2.915 5.367 -12.545 1.00 0.00 C ATOM 0 H ALA A 62 3.808 6.990 -10.914 1.00 0.00 H new ATOM 0 HA ALA A 62 4.415 4.289 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.764 4.589 -13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.178 5.254 -11.750 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.799 6.346 -13.011 1.00 0.00 H new ATOM 273 N GLU A 63 6.088 4.079 -13.008 1.00 0.00 N ATOM 274 CA GLU A 63 7.256 3.774 -13.863 1.00 0.00 C ATOM 275 C GLU A 63 6.853 3.495 -15.317 1.00 0.00 C ATOM 276 O GLU A 63 7.570 3.869 -16.245 1.00 0.00 O ATOM 277 CB GLU A 63 7.985 2.589 -13.201 1.00 0.00 C ATOM 278 CG GLU A 63 9.328 2.196 -13.830 1.00 0.00 C ATOM 279 CD GLU A 63 9.183 1.207 -14.992 1.00 0.00 C ATOM 280 OE1 GLU A 63 8.439 0.207 -14.837 1.00 0.00 O ATOM 281 OE2 GLU A 63 9.829 1.447 -16.035 1.00 0.00 O ATOM 0 H GLU A 63 5.861 3.323 -12.361 1.00 0.00 H new ATOM 0 HA GLU A 63 7.924 4.633 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.154 2.831 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.326 1.721 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.832 3.094 -14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.966 1.756 -13.064 1.00 0.00 H new ATOM 282 N SER A 64 5.698 2.850 -15.490 1.00 0.00 N ATOM 283 CA SER A 64 5.175 2.354 -16.783 1.00 0.00 C ATOM 284 C SER A 64 3.706 1.893 -16.621 1.00 0.00 C ATOM 285 O SER A 64 3.059 2.236 -15.635 1.00 0.00 O ATOM 286 CB SER A 64 6.106 1.235 -17.249 1.00 0.00 C ATOM 287 OG SER A 64 5.962 0.086 -16.405 1.00 0.00 O ATOM 0 H SER A 64 5.072 2.647 -14.711 1.00 0.00 H new ATOM 0 HA SER A 64 5.160 3.137 -17.541 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.877 0.968 -18.281 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.139 1.581 -17.231 1.00 0.00 H new ATOM 0 HG SER A 64 6.744 0.011 -15.819 1.00 0.00 H new ATOM 288 N VAL A 65 3.332 0.903 -17.430 1.00 0.00 N ATOM 289 CA VAL A 65 1.972 0.350 -17.597 1.00 0.00 C ATOM 290 C VAL A 65 1.428 -0.312 -16.322 1.00 0.00 C ATOM 291 O VAL A 65 1.871 -1.372 -15.876 1.00 0.00 O ATOM 292 CB VAL A 65 2.007 -0.570 -18.837 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.990 -1.734 -18.691 1.00 0.00 C ATOM 294 CG2 VAL A 65 0.611 -1.067 -19.211 1.00 0.00 C ATOM 0 H VAL A 65 4.008 0.429 -18.029 1.00 0.00 H new ATOM 0 HA VAL A 65 1.251 1.149 -17.769 1.00 0.00 H new ATOM 0 HB VAL A 65 2.376 0.045 -19.658 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.969 -2.344 -19.594 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.996 -1.344 -18.540 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.706 -2.345 -17.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.677 -1.711 -20.088 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.190 -1.630 -18.378 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.031 -0.215 -19.434 1.00 0.00 H new ATOM 295 N GLY A 66 0.528 0.441 -15.689 1.00 0.00 N ATOM 296 CA GLY A 66 -0.096 0.142 -14.382 1.00 0.00 C ATOM 297 C GLY A 66 0.863 0.264 -13.177 1.00 0.00 C ATOM 298 O GLY A 66 0.481 0.658 -12.089 1.00 0.00 O ATOM 0 H GLY A 66 0.193 1.319 -16.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.938 0.818 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.500 -0.870 -14.409 1.00 0.00 H new ATOM 299 N GLU A 67 2.137 0.044 -13.472 1.00 0.00 N ATOM 300 CA GLU A 67 3.240 -0.085 -12.531 1.00 0.00 C ATOM 301 C GLU A 67 3.638 1.190 -11.770 1.00 0.00 C ATOM 302 O GLU A 67 4.370 2.040 -12.275 1.00 0.00 O ATOM 303 CB GLU A 67 4.409 -0.621 -13.354 1.00 0.00 C ATOM 304 CG GLU A 67 4.166 -2.057 -13.835 1.00 0.00 C ATOM 305 CD GLU A 67 5.148 -2.466 -14.934 1.00 0.00 C ATOM 306 OE1 GLU A 67 6.355 -2.554 -14.614 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.675 -2.706 -16.069 1.00 0.00 O ATOM 0 H GLU A 67 2.447 -0.056 -14.439 1.00 0.00 H new ATOM 0 HA GLU A 67 2.928 -0.748 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.572 0.027 -14.215 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.319 -0.589 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.259 -2.742 -12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.146 -2.147 -14.208 1.00 0.00 H new ATOM 308 N VAL A 68 3.288 1.160 -10.491 1.00 0.00 N ATOM 309 CA VAL A 68 3.470 2.297 -9.555 1.00 0.00 C ATOM 310 C VAL A 68 4.515 2.055 -8.455 1.00 0.00 C ATOM 311 O VAL A 68 4.540 1.036 -7.768 1.00 0.00 O ATOM 312 CB VAL A 68 2.170 2.752 -8.859 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.888 2.553 -9.625 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.754 1.900 -7.685 1.00 0.00 C ATOM 0 H VAL A 68 2.863 0.342 -10.054 1.00 0.00 H new ATOM 0 HA VAL A 68 3.825 3.081 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 68 2.466 3.784 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.049 2.912 -9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.933 3.110 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.753 1.493 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.831 2.294 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.591 0.875 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.539 1.915 -6.929 1.00 0.00 H new ATOM 315 N TYR A 69 5.337 3.071 -8.291 1.00 0.00 N ATOM 316 CA TYR A 69 6.234 3.184 -7.130 1.00 0.00 C ATOM 317 C TYR A 69 5.616 4.131 -6.107 1.00 0.00 C ATOM 318 O TYR A 69 5.556 5.348 -6.332 1.00 0.00 O ATOM 319 CB TYR A 69 7.608 3.732 -7.530 1.00 0.00 C ATOM 320 CG TYR A 69 8.545 2.657 -8.070 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.809 1.538 -7.252 1.00 0.00 C ATOM 322 CD2 TYR A 69 9.104 2.776 -9.366 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.614 0.502 -7.746 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.922 1.736 -9.855 1.00 0.00 C ATOM 325 CZ TYR A 69 10.158 0.608 -9.029 1.00 0.00 C ATOM 326 OH TYR A 69 10.862 -0.456 -9.491 1.00 0.00 O ATOM 0 H TYR A 69 5.412 3.846 -8.950 1.00 0.00 H new ATOM 0 HA TYR A 69 6.365 2.186 -6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.478 4.506 -8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.070 4.207 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.395 1.480 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.907 3.649 -9.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.812 -0.370 -7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.360 1.798 -10.840 1.00 0.00 H new ATOM 0 HH TYR A 69 10.704 -1.230 -8.911 1.00 0.00 H new ATOM 327 N ILE A 70 5.024 3.550 -5.072 1.00 0.00 N ATOM 328 CA ILE A 70 4.255 4.375 -4.107 1.00 0.00 C ATOM 329 C ILE A 70 5.191 4.963 -3.049 1.00 0.00 C ATOM 330 O ILE A 70 5.496 4.376 -2.016 1.00 0.00 O ATOM 331 CB ILE A 70 2.998 3.717 -3.524 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.235 3.029 -4.650 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.097 4.805 -2.925 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.058 2.132 -4.235 1.00 0.00 C ATOM 0 H ILE A 70 5.049 2.551 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 70 3.830 5.197 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 70 3.280 2.995 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.857 3.797 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.940 2.424 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.201 4.346 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.636 5.330 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.814 5.512 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.598 1.701 -5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.420 1.332 -3.590 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.320 2.726 -3.696 1.00 0.00 H new ATOM 335 N LYS A 71 5.552 6.183 -3.398 1.00 0.00 N ATOM 336 CA LYS A 71 6.492 7.040 -2.658 1.00 0.00 C ATOM 337 C LYS A 71 5.773 7.717 -1.497 1.00 0.00 C ATOM 338 O LYS A 71 4.693 8.291 -1.631 1.00 0.00 O ATOM 339 CB LYS A 71 7.055 8.094 -3.636 1.00 0.00 C ATOM 340 CG LYS A 71 8.047 9.057 -2.977 1.00 0.00 C ATOM 341 CD LYS A 71 8.541 10.131 -3.942 1.00 0.00 C ATOM 342 CE LYS A 71 9.204 11.304 -3.209 1.00 0.00 C ATOM 343 NZ LYS A 71 10.388 10.861 -2.442 1.00 0.00 N ATOM 0 H LYS A 71 5.190 6.634 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 71 7.308 6.445 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.548 7.585 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.229 8.666 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.572 9.533 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.899 8.493 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.253 9.691 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.703 10.500 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.500 12.065 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.484 11.767 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.763 11.659 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.116 10.092 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.119 10.519 -3.098 1.00 0.00 H new ATOM 344 N SER A 72 6.475 7.677 -0.371 1.00 0.00 N ATOM 345 CA SER A 72 6.133 8.501 0.790 1.00 0.00 C ATOM 346 C SER A 72 6.574 9.929 0.451 1.00 0.00 C ATOM 347 O SER A 72 7.732 10.306 0.627 1.00 0.00 O ATOM 348 CB SER A 72 6.906 7.957 1.996 1.00 0.00 C ATOM 349 OG SER A 72 6.724 8.858 3.102 1.00 0.00 O ATOM 0 H SER A 72 7.290 7.080 -0.234 1.00 0.00 H new ATOM 0 HA SER A 72 5.069 8.486 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.548 6.961 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.965 7.862 1.755 1.00 0.00 H new ATOM 0 HG SER A 72 5.788 8.836 3.392 1.00 0.00 H new ATOM 350 N THR A 73 5.687 10.707 -0.159 1.00 0.00 N ATOM 351 CA THR A 73 6.009 12.082 -0.606 1.00 0.00 C ATOM 352 C THR A 73 6.433 13.033 0.529 1.00 0.00 C ATOM 353 O THR A 73 6.976 14.109 0.273 1.00 0.00 O ATOM 354 CB THR A 73 4.937 12.725 -1.501 1.00 0.00 C ATOM 355 OG1 THR A 73 5.429 14.002 -1.942 1.00 0.00 O ATOM 356 CG2 THR A 73 3.567 12.878 -0.833 1.00 0.00 C ATOM 0 H THR A 73 4.730 10.418 -0.362 1.00 0.00 H new ATOM 0 HA THR A 73 6.888 11.934 -1.234 1.00 0.00 H new ATOM 0 HB THR A 73 4.766 12.052 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.133 14.310 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.870 13.340 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.192 11.897 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.662 13.507 0.052 1.00 0.00 H new ATOM 357 N GLU A 74 6.091 12.658 1.756 1.00 0.00 N ATOM 358 CA GLU A 74 6.468 13.400 2.981 1.00 0.00 C ATOM 359 C GLU A 74 7.773 12.959 3.651 1.00 0.00 C ATOM 360 O GLU A 74 8.276 13.682 4.519 1.00 0.00 O ATOM 361 CB GLU A 74 5.308 13.300 3.978 1.00 0.00 C ATOM 362 CG GLU A 74 4.325 14.465 3.856 1.00 0.00 C ATOM 363 CD GLU A 74 4.911 15.797 4.347 1.00 0.00 C ATOM 364 OE1 GLU A 74 5.136 15.915 5.566 1.00 0.00 O ATOM 365 OE2 GLU A 74 5.070 16.696 3.483 1.00 0.00 O ATOM 0 H GLU A 74 5.538 11.822 1.944 1.00 0.00 H new ATOM 0 HA GLU A 74 6.660 14.426 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.776 12.362 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.707 13.271 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.021 14.570 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.426 14.237 4.429 1.00 0.00 H new ATOM 366 N THR A 75 8.208 11.725 3.404 1.00 0.00 N ATOM 367 CA THR A 75 9.424 11.192 4.055 1.00 0.00 C ATOM 368 C THR A 75 10.456 10.573 3.096 1.00 0.00 C ATOM 369 O THR A 75 11.655 10.689 3.348 1.00 0.00 O ATOM 370 CB THR A 75 9.026 10.224 5.174 1.00 0.00 C ATOM 371 OG1 THR A 75 7.949 10.805 5.919 1.00 0.00 O ATOM 372 CG2 THR A 75 10.175 9.978 6.153 1.00 0.00 C ATOM 0 H THR A 75 7.749 11.074 2.767 1.00 0.00 H new ATOM 0 HA THR A 75 9.947 12.049 4.479 1.00 0.00 H new ATOM 0 HB THR A 75 8.746 9.278 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.312 11.366 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.849 9.286 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.023 9.550 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.473 10.922 6.609 1.00 0.00 H new ATOM 373 N GLY A 76 9.991 9.866 2.070 1.00 0.00 N ATOM 374 CA GLY A 76 10.832 9.281 1.003 1.00 0.00 C ATOM 375 C GLY A 76 10.383 7.907 0.512 1.00 0.00 C ATOM 376 O GLY A 76 9.764 7.775 -0.538 1.00 0.00 O ATOM 0 H GLY A 76 8.997 9.673 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.847 9.966 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.856 9.203 1.369 1.00 0.00 H new ATOM 377 N GLN A 77 10.860 6.921 1.264 1.00 0.00 N ATOM 378 CA GLN A 77 10.729 5.471 0.994 1.00 0.00 C ATOM 379 C GLN A 77 9.445 4.974 0.314 1.00 0.00 C ATOM 380 O GLN A 77 8.356 5.561 0.421 1.00 0.00 O ATOM 381 CB GLN A 77 11.063 4.623 2.240 1.00 0.00 C ATOM 382 CG GLN A 77 10.219 4.898 3.492 1.00 0.00 C ATOM 383 CD GLN A 77 10.490 6.274 4.114 1.00 0.00 C ATOM 384 OE1 GLN A 77 11.611 6.748 4.217 1.00 0.00 O ATOM 385 NE2 GLN A 77 9.448 6.953 4.503 1.00 0.00 N ATOM 0 H GLN A 77 11.376 7.108 2.124 1.00 0.00 H new ATOM 0 HA GLN A 77 11.481 5.320 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.954 3.571 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.112 4.782 2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.163 4.825 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.419 4.125 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.515 6.551 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.566 7.887 4.897 1.00 0.00 H new ATOM 386 N TYR A 78 9.604 3.824 -0.324 1.00 0.00 N ATOM 387 CA TYR A 78 8.624 3.203 -1.216 1.00 0.00 C ATOM 388 C TYR A 78 7.875 2.052 -0.544 1.00 0.00 C ATOM 389 O TYR A 78 8.441 1.247 0.194 1.00 0.00 O ATOM 390 CB TYR A 78 9.339 2.613 -2.444 1.00 0.00 C ATOM 391 CG TYR A 78 10.066 3.685 -3.251 1.00 0.00 C ATOM 392 CD1 TYR A 78 9.320 4.480 -4.152 1.00 0.00 C ATOM 393 CD2 TYR A 78 11.376 4.040 -2.850 1.00 0.00 C ATOM 394 CE1 TYR A 78 9.868 5.703 -4.590 1.00 0.00 C ATOM 395 CE2 TYR A 78 11.913 5.274 -3.271 1.00 0.00 C ATOM 396 CZ TYR A 78 11.144 6.093 -4.118 1.00 0.00 C ATOM 397 OH TYR A 78 11.590 7.328 -4.437 1.00 0.00 O ATOM 0 H TYR A 78 10.456 3.270 -0.233 1.00 0.00 H new ATOM 0 HA TYR A 78 7.916 3.985 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.054 1.857 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.611 2.111 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.349 4.157 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.957 3.374 -2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.322 6.333 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.896 5.585 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 78 12.479 7.466 -4.048 1.00 0.00 H new ATOM 398 N LEU A 79 6.572 2.072 -0.790 1.00 0.00 N ATOM 399 CA LEU A 79 5.684 0.928 -0.489 1.00 0.00 C ATOM 400 C LEU A 79 6.182 -0.344 -1.182 1.00 0.00 C ATOM 401 O LEU A 79 6.150 -0.469 -2.408 1.00 0.00 O ATOM 402 CB LEU A 79 4.249 1.240 -0.918 1.00 0.00 C ATOM 403 CG LEU A 79 3.262 0.108 -0.572 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.139 -0.121 0.917 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.910 0.498 -1.141 1.00 0.00 C ATOM 0 H LEU A 79 6.091 2.872 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 79 5.698 0.759 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.922 2.161 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.227 1.419 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 79 3.630 -0.824 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.431 -0.929 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.113 -0.390 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.784 0.791 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.182 -0.281 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.585 1.438 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.991 0.618 -2.221 1.00 0.00 H new ATOM 406 N ALA A 80 6.725 -1.214 -0.354 1.00 0.00 N ATOM 407 CA ALA A 80 7.343 -2.473 -0.800 1.00 0.00 C ATOM 408 C ALA A 80 6.722 -3.690 -0.117 1.00 0.00 C ATOM 409 O ALA A 80 6.368 -3.628 1.059 1.00 0.00 O ATOM 410 CB ALA A 80 8.824 -2.398 -0.481 1.00 0.00 C ATOM 0 H ALA A 80 6.756 -1.078 0.656 1.00 0.00 H new ATOM 0 HA ALA A 80 7.176 -2.594 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.312 -3.319 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.267 -1.552 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.959 -2.269 0.593 1.00 0.00 H new ATOM 411 N MET A 81 6.765 -4.816 -0.822 1.00 0.00 N ATOM 412 CA MET A 81 6.195 -6.073 -0.303 1.00 0.00 C ATOM 413 C MET A 81 7.178 -7.254 -0.463 1.00 0.00 C ATOM 414 O MET A 81 7.892 -7.349 -1.466 1.00 0.00 O ATOM 415 CB MET A 81 4.872 -6.427 -0.983 1.00 0.00 C ATOM 416 CG MET A 81 4.110 -7.395 -0.085 1.00 0.00 C ATOM 417 SD MET A 81 2.494 -8.000 -0.718 1.00 0.00 S ATOM 418 CE MET A 81 1.563 -6.509 -1.046 1.00 0.00 C ATOM 0 H MET A 81 7.184 -4.893 -1.749 1.00 0.00 H new ATOM 0 HA MET A 81 6.009 -5.904 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.282 -5.527 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.056 -6.879 -1.957 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.747 -8.259 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.940 -6.908 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.605 -6.770 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.391 -5.974 -0.112 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.124 -5.873 -1.730 1.00 0.00 H new ATOM 419 N ASP A 82 7.239 -8.054 0.590 1.00 0.00 N ATOM 420 CA ASP A 82 7.991 -9.333 0.628 1.00 0.00 C ATOM 421 C ASP A 82 7.049 -10.533 0.474 1.00 0.00 C ATOM 422 O ASP A 82 5.891 -10.479 0.884 1.00 0.00 O ATOM 423 CB ASP A 82 8.741 -9.499 1.946 1.00 0.00 C ATOM 424 CG ASP A 82 10.015 -8.657 2.035 1.00 0.00 C ATOM 425 OD1 ASP A 82 10.830 -8.736 1.099 1.00 0.00 O ATOM 426 OD2 ASP A 82 10.170 -8.013 3.096 1.00 0.00 O ATOM 0 H ASP A 82 6.764 -7.843 1.467 1.00 0.00 H new ATOM 0 HA ASP A 82 8.698 -9.300 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.078 -9.229 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.000 -10.550 2.078 1.00 0.00 H new ATOM 427 N THR A 83 7.696 -11.677 0.269 1.00 0.00 N ATOM 428 CA THR A 83 7.080 -13.011 0.071 1.00 0.00 C ATOM 429 C THR A 83 6.240 -13.517 1.260 1.00 0.00 C ATOM 430 O THR A 83 5.502 -14.495 1.121 1.00 0.00 O ATOM 431 CB THR A 83 8.163 -14.041 -0.234 1.00 0.00 C ATOM 432 OG1 THR A 83 9.223 -13.877 0.722 1.00 0.00 O ATOM 433 CG2 THR A 83 8.692 -13.907 -1.670 1.00 0.00 C ATOM 0 H THR A 83 8.715 -11.714 0.232 1.00 0.00 H new ATOM 0 HA THR A 83 6.392 -12.888 -0.765 1.00 0.00 H new ATOM 0 HB THR A 83 7.738 -15.042 -0.155 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.929 -14.533 0.543 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.461 -14.659 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.873 -14.054 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.117 -12.913 -1.810 1.00 0.00 H new ATOM 434 N ASP A 84 6.524 -12.989 2.452 1.00 0.00 N ATOM 435 CA ASP A 84 5.703 -13.173 3.670 1.00 0.00 C ATOM 436 C ASP A 84 4.315 -12.517 3.606 1.00 0.00 C ATOM 437 O ASP A 84 3.506 -12.729 4.502 1.00 0.00 O ATOM 438 CB ASP A 84 6.493 -12.638 4.865 1.00 0.00 C ATOM 439 CG ASP A 84 7.734 -13.481 5.182 1.00 0.00 C ATOM 440 OD1 ASP A 84 7.559 -14.535 5.831 1.00 0.00 O ATOM 441 OD2 ASP A 84 8.820 -13.036 4.753 1.00 0.00 O ATOM 0 H ASP A 84 7.347 -12.408 2.610 1.00 0.00 H new ATOM 0 HA ASP A 84 5.504 -14.240 3.768 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.799 -11.612 4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.844 -12.611 5.741 1.00 0.00 H new ATOM 442 N GLY A 85 4.118 -11.604 2.655 1.00 0.00 N ATOM 443 CA GLY A 85 2.878 -10.807 2.539 1.00 0.00 C ATOM 444 C GLY A 85 3.022 -9.402 3.146 1.00 0.00 C ATOM 445 O GLY A 85 2.210 -8.518 2.918 1.00 0.00 O ATOM 0 H GLY A 85 4.810 -11.389 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.604 -10.719 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.064 -11.333 3.038 1.00 0.00 H new ATOM 446 N LEU A 86 4.230 -9.148 3.621 1.00 0.00 N ATOM 447 CA LEU A 86 4.473 -7.984 4.490 1.00 0.00 C ATOM 448 C LEU A 86 5.023 -6.795 3.714 1.00 0.00 C ATOM 449 O LEU A 86 6.002 -6.892 2.970 1.00 0.00 O ATOM 450 CB LEU A 86 5.395 -8.357 5.660 1.00 0.00 C ATOM 451 CG LEU A 86 5.025 -9.650 6.389 1.00 0.00 C ATOM 452 CD1 LEU A 86 5.628 -9.512 7.781 1.00 0.00 C ATOM 453 CD2 LEU A 86 3.540 -9.980 6.589 1.00 0.00 C ATOM 0 H LEU A 86 5.054 -9.717 3.429 1.00 0.00 H new ATOM 0 HA LEU A 86 3.510 -7.679 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.414 -8.448 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.393 -7.539 6.380 1.00 0.00 H new ATOM 0 HG LEU A 86 5.394 -10.456 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.403 -10.405 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.709 -9.394 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.204 -8.638 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.446 -10.927 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.066 -9.189 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.051 -10.059 5.618 1.00 0.00 H new ATOM 454 N LEU A 87 4.522 -5.665 4.205 1.00 0.00 N ATOM 455 CA LEU A 87 4.797 -4.349 3.622 1.00 0.00 C ATOM 456 C LEU A 87 5.854 -3.605 4.439 1.00 0.00 C ATOM 457 O LEU A 87 5.672 -3.249 5.606 1.00 0.00 O ATOM 458 CB LEU A 87 3.548 -3.467 3.455 1.00 0.00 C ATOM 459 CG LEU A 87 2.516 -3.983 2.473 1.00 0.00 C ATOM 460 CD1 LEU A 87 1.275 -3.117 2.675 1.00 0.00 C ATOM 461 CD2 LEU A 87 3.053 -3.891 1.055 1.00 0.00 C ATOM 0 H LEU A 87 3.911 -5.633 5.021 1.00 0.00 H new ATOM 0 HA LEU A 87 5.173 -4.546 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.072 -3.352 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.865 -2.474 3.135 1.00 0.00 H new ATOM 0 HG LEU A 87 2.275 -5.033 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.490 -3.441 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.925 -3.216 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.522 -2.074 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.304 -4.264 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.282 -2.852 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.959 -4.491 0.969 1.00 0.00 H new ATOM 462 N TYR A 88 6.960 -3.393 3.757 1.00 0.00 N ATOM 463 CA TYR A 88 8.155 -2.730 4.295 1.00 0.00 C ATOM 464 C TYR A 88 8.476 -1.448 3.527 1.00 0.00 C ATOM 465 O TYR A 88 8.101 -1.272 2.362 1.00 0.00 O ATOM 466 CB TYR A 88 9.373 -3.663 4.350 1.00 0.00 C ATOM 467 CG TYR A 88 9.894 -4.234 3.031 1.00 0.00 C ATOM 468 CD1 TYR A 88 9.074 -5.037 2.206 1.00 0.00 C ATOM 469 CD2 TYR A 88 11.223 -3.911 2.689 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.599 -5.491 0.988 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.737 -4.383 1.470 1.00 0.00 C ATOM 472 CZ TYR A 88 10.920 -5.141 0.620 1.00 0.00 C ATOM 473 OH TYR A 88 11.324 -5.332 -0.661 1.00 0.00 O ATOM 0 H TYR A 88 7.067 -3.681 2.784 1.00 0.00 H new ATOM 0 HA TYR A 88 7.921 -2.458 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.190 -3.120 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 88 9.124 -4.500 5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.069 -5.294 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.833 -3.313 3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.998 -6.105 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.756 -4.163 1.189 1.00 0.00 H new ATOM 0 HH TYR A 88 12.255 -5.042 -0.757 1.00 0.00 H new ATOM 474 N GLY A 89 9.046 -0.518 4.268 1.00 0.00 N ATOM 475 CA GLY A 89 9.431 0.825 3.780 1.00 0.00 C ATOM 476 C GLY A 89 10.819 0.807 3.139 1.00 0.00 C ATOM 477 O GLY A 89 11.773 1.393 3.663 1.00 0.00 O ATOM 0 H GLY A 89 9.267 -0.663 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.697 1.174 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.420 1.532 4.609 1.00 0.00 H new ATOM 478 N SER A 90 10.900 0.110 2.009 1.00 0.00 N ATOM 479 CA SER A 90 12.127 0.015 1.199 1.00 0.00 C ATOM 480 C SER A 90 12.455 1.322 0.467 1.00 0.00 C ATOM 481 O SER A 90 11.704 1.811 -0.369 1.00 0.00 O ATOM 482 CB SER A 90 12.061 -1.151 0.199 1.00 0.00 C ATOM 483 OG SER A 90 13.218 -1.129 -0.645 1.00 0.00 O ATOM 0 H SER A 90 10.114 -0.411 1.620 1.00 0.00 H new ATOM 0 HA SER A 90 12.935 -0.178 1.905 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.007 -2.099 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.157 -1.074 -0.405 1.00 0.00 H new ATOM 0 HG SER A 90 13.002 -0.673 -1.485 1.00 0.00 H new ATOM 484 N GLN A 91 13.548 1.918 0.928 1.00 0.00 N ATOM 485 CA GLN A 91 14.226 3.091 0.318 1.00 0.00 C ATOM 486 C GLN A 91 14.578 2.950 -1.172 1.00 0.00 C ATOM 487 O GLN A 91 14.724 3.939 -1.883 1.00 0.00 O ATOM 488 CB GLN A 91 15.523 3.318 1.079 1.00 0.00 C ATOM 489 CG GLN A 91 15.362 4.135 2.372 1.00 0.00 C ATOM 490 CD GLN A 91 14.706 3.355 3.529 1.00 0.00 C ATOM 491 OE1 GLN A 91 14.754 2.136 3.619 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.048 4.066 4.419 1.00 0.00 N ATOM 0 H GLN A 91 14.019 1.595 1.773 1.00 0.00 H new ATOM 0 HA GLN A 91 13.519 3.918 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 91 15.960 2.350 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.230 3.829 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.343 4.484 2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.763 5.020 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.014 5.082 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.572 3.601 5.192 1.00 0.00 H new ATOM 493 N THR A 92 14.814 1.708 -1.571 1.00 0.00 N ATOM 494 CA THR A 92 15.252 1.347 -2.939 1.00 0.00 C ATOM 495 C THR A 92 14.102 0.712 -3.749 1.00 0.00 C ATOM 496 O THR A 92 13.253 0.026 -3.166 1.00 0.00 O ATOM 497 CB THR A 92 16.499 0.437 -2.907 1.00 0.00 C ATOM 498 OG1 THR A 92 16.996 0.248 -4.233 1.00 0.00 O ATOM 499 CG2 THR A 92 16.245 -0.930 -2.265 1.00 0.00 C ATOM 0 H THR A 92 14.709 0.902 -0.955 1.00 0.00 H new ATOM 0 HA THR A 92 15.536 2.268 -3.449 1.00 0.00 H new ATOM 0 HB THR A 92 17.234 0.948 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.788 -0.329 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.165 -1.515 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.916 -0.793 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.473 -1.457 -2.825 1.00 0.00 H new ATOM 500 N PRO A 93 14.031 0.983 -5.060 1.00 0.00 N ATOM 501 CA PRO A 93 13.018 0.418 -5.934 1.00 0.00 C ATOM 502 C PRO A 93 13.361 -0.965 -6.519 1.00 0.00 C ATOM 503 O PRO A 93 14.458 -1.253 -7.001 1.00 0.00 O ATOM 504 CB PRO A 93 12.841 1.415 -7.061 1.00 0.00 C ATOM 505 CG PRO A 93 14.249 1.996 -7.239 1.00 0.00 C ATOM 506 CD PRO A 93 14.818 1.965 -5.810 1.00 0.00 C ATOM 0 HA PRO A 93 12.115 0.250 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.486 0.934 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.116 2.188 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.849 1.398 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.220 3.009 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.872 1.688 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 93 14.751 2.949 -5.346 1.00 0.00 H new ATOM 507 N ASN A 94 12.355 -1.811 -6.374 1.00 0.00 N ATOM 508 CA ASN A 94 12.334 -3.171 -6.936 1.00 0.00 C ATOM 509 C ASN A 94 10.909 -3.487 -7.420 1.00 0.00 C ATOM 510 O ASN A 94 9.994 -2.693 -7.206 1.00 0.00 O ATOM 511 CB ASN A 94 12.764 -4.108 -5.798 1.00 0.00 C ATOM 512 CG ASN A 94 12.942 -5.560 -6.242 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.033 -6.374 -6.175 1.00 0.00 O ATOM 514 ND2 ASN A 94 14.040 -5.846 -6.892 1.00 0.00 N ATOM 0 H ASN A 94 11.509 -1.577 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 94 13.002 -3.286 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.702 -3.748 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.019 -4.068 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.142 -6.753 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.795 -5.162 -6.944 1.00 0.00 H new ATOM 515 N GLU A 95 10.732 -4.642 -8.045 1.00 0.00 N ATOM 516 CA GLU A 95 9.408 -5.246 -8.341 1.00 0.00 C ATOM 517 C GLU A 95 8.534 -5.320 -7.082 1.00 0.00 C ATOM 518 O GLU A 95 7.355 -5.001 -7.094 1.00 0.00 O ATOM 519 CB GLU A 95 9.604 -6.699 -8.772 1.00 0.00 C ATOM 520 CG GLU A 95 10.404 -6.863 -10.072 1.00 0.00 C ATOM 521 CD GLU A 95 10.607 -8.341 -10.453 1.00 0.00 C ATOM 522 OE1 GLU A 95 9.602 -8.971 -10.839 1.00 0.00 O ATOM 523 OE2 GLU A 95 11.771 -8.783 -10.366 1.00 0.00 O ATOM 0 H GLU A 95 11.512 -5.211 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 95 8.940 -4.630 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.114 -7.238 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.627 -7.165 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.886 -6.350 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.376 -6.382 -9.961 1.00 0.00 H new ATOM 524 N GLU A 96 9.201 -5.672 -5.978 1.00 0.00 N ATOM 525 CA GLU A 96 8.650 -5.666 -4.610 1.00 0.00 C ATOM 526 C GLU A 96 7.944 -4.358 -4.255 1.00 0.00 C ATOM 527 O GLU A 96 6.826 -4.377 -3.744 1.00 0.00 O ATOM 528 CB GLU A 96 9.826 -5.866 -3.660 1.00 0.00 C ATOM 529 CG GLU A 96 10.212 -7.350 -3.685 1.00 0.00 C ATOM 530 CD GLU A 96 10.943 -7.833 -2.433 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.156 -7.545 -2.350 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.330 -8.633 -1.678 1.00 0.00 O ATOM 0 H GLU A 96 10.173 -5.980 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 96 7.902 -6.455 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.671 -5.248 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.555 -5.560 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.309 -7.946 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.844 -7.534 -4.554 1.00 0.00 H new ATOM 533 N CYS A 97 8.508 -3.275 -4.775 1.00 0.00 N ATOM 534 CA CYS A 97 8.095 -1.904 -4.468 1.00 0.00 C ATOM 535 C CYS A 97 7.253 -1.292 -5.613 1.00 0.00 C ATOM 536 O CYS A 97 6.805 -0.157 -5.537 1.00 0.00 O ATOM 537 CB CYS A 97 9.405 -1.127 -4.265 1.00 0.00 C ATOM 538 SG CYS A 97 10.699 -2.021 -3.324 1.00 0.00 S ATOM 0 H CYS A 97 9.283 -3.322 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 97 7.457 -1.866 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.807 -0.861 -5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.180 -0.194 -3.748 1.00 0.00 H new ATOM 0 HG CYS A 97 11.755 -1.271 -3.218 1.00 0.00 H new ATOM 539 N LEU A 98 6.958 -2.140 -6.600 1.00 0.00 N ATOM 540 CA LEU A 98 6.282 -1.743 -7.840 1.00 0.00 C ATOM 541 C LEU A 98 4.932 -2.433 -7.968 1.00 0.00 C ATOM 542 O LEU A 98 4.780 -3.627 -7.716 1.00 0.00 O ATOM 543 CB LEU A 98 7.170 -1.993 -9.052 1.00 0.00 C ATOM 544 CG LEU A 98 6.634 -1.216 -10.267 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.540 0.260 -9.999 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.634 -1.273 -11.403 1.00 0.00 C ATOM 0 H LEU A 98 7.184 -3.134 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 98 6.093 -0.670 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.192 -1.683 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.201 -3.059 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 98 5.666 -1.665 -10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.157 0.767 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.866 0.435 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.529 0.650 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.245 -0.720 -12.258 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.576 -0.828 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.802 -2.312 -11.688 1.00 0.00 H new ATOM 547 N PHE A 99 3.940 -1.592 -8.232 1.00 0.00 N ATOM 548 CA PHE A 99 2.542 -1.994 -8.187 1.00 0.00 C ATOM 549 C PHE A 99 1.625 -1.702 -9.375 1.00 0.00 C ATOM 550 O PHE A 99 1.380 -0.555 -9.723 1.00 0.00 O ATOM 551 CB PHE A 99 1.909 -1.360 -6.947 1.00 0.00 C ATOM 552 CG PHE A 99 2.321 -1.990 -5.622 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.522 -1.599 -4.986 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.444 -2.911 -5.013 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.853 -2.147 -3.727 1.00 0.00 C ATOM 556 CE2 PHE A 99 1.767 -3.454 -3.751 1.00 0.00 C ATOM 557 CZ PHE A 99 2.968 -3.063 -3.114 1.00 0.00 C ATOM 0 H PHE A 99 4.083 -0.614 -8.483 1.00 0.00 H new ATOM 0 HA PHE A 99 2.607 -3.082 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.169 -0.302 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.825 -1.420 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.181 -0.887 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.530 -3.200 -5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.774 -1.869 -3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.103 -4.161 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.213 -3.471 -2.144 1.00 0.00 H new ATOM 558 N LEU A 100 1.035 -2.760 -9.907 1.00 0.00 N ATOM 559 CA LEU A 100 -0.007 -2.688 -10.943 1.00 0.00 C ATOM 560 C LEU A 100 -1.280 -2.032 -10.397 1.00 0.00 C ATOM 561 O LEU A 100 -1.945 -2.562 -9.509 1.00 0.00 O ATOM 562 CB LEU A 100 -0.398 -4.059 -11.506 1.00 0.00 C ATOM 563 CG LEU A 100 0.376 -4.412 -12.780 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.825 -4.753 -12.448 1.00 0.00 C ATOM 565 CD2 LEU A 100 -0.287 -5.627 -13.431 1.00 0.00 C ATOM 0 H LEU A 100 1.264 -3.715 -9.632 1.00 0.00 H new ATOM 0 HA LEU A 100 0.429 -2.092 -11.745 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.216 -4.824 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.467 -4.069 -11.719 1.00 0.00 H new ATOM 0 HG LEU A 100 0.364 -3.558 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.360 -5.001 -13.365 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.300 -3.896 -11.971 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.852 -5.606 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.252 -5.892 -14.340 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.265 -6.468 -12.738 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.321 -5.388 -13.679 1.00 0.00 H new ATOM 566 N GLU A 101 -1.446 -0.800 -10.848 1.00 0.00 N ATOM 567 CA GLU A 101 -2.604 0.040 -10.511 1.00 0.00 C ATOM 568 C GLU A 101 -3.885 -0.508 -11.145 1.00 0.00 C ATOM 569 O GLU A 101 -4.127 -0.474 -12.355 1.00 0.00 O ATOM 570 CB GLU A 101 -2.370 1.499 -10.877 1.00 0.00 C ATOM 571 CG GLU A 101 -3.382 2.423 -10.195 1.00 0.00 C ATOM 572 CD GLU A 101 -2.933 3.888 -10.179 1.00 0.00 C ATOM 573 OE1 GLU A 101 -3.119 4.554 -11.220 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.422 4.305 -9.110 1.00 0.00 O ATOM 0 H GLU A 101 -0.777 -0.341 -11.467 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.732 0.005 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.360 1.789 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.439 1.619 -11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.340 2.347 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.542 2.086 -9.171 1.00 0.00 H new ATOM 575 N ARG A 102 -4.571 -1.156 -10.228 1.00 0.00 N ATOM 576 CA ARG A 102 -5.888 -1.776 -10.404 1.00 0.00 C ATOM 577 C ARG A 102 -6.953 -0.759 -9.988 1.00 0.00 C ATOM 578 O ARG A 102 -6.691 0.212 -9.262 1.00 0.00 O ATOM 579 CB ARG A 102 -5.953 -2.970 -9.466 1.00 0.00 C ATOM 580 CG ARG A 102 -5.112 -4.192 -9.829 1.00 0.00 C ATOM 581 CD ARG A 102 -5.514 -4.834 -11.159 1.00 0.00 C ATOM 582 NE ARG A 102 -6.927 -5.252 -11.208 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.894 -4.686 -11.933 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.631 -3.775 -12.862 1.00 0.00 N ATOM 585 NH2 ARG A 102 -9.126 -5.173 -11.907 1.00 0.00 N ATOM 0 H ARG A 102 -4.213 -1.277 -9.281 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.051 -2.085 -11.437 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.652 -2.636 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.994 -3.286 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.063 -3.900 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.200 -4.933 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.325 -4.127 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.880 -5.702 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.191 -6.051 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.668 -3.489 -13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.392 -3.361 -13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.341 -5.986 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.860 -4.735 -12.464 1.00 0.00 H new ATOM 586 N LEU A 103 -8.144 -0.949 -10.537 1.00 0.00 N ATOM 587 CA LEU A 103 -9.266 -0.046 -10.261 1.00 0.00 C ATOM 588 C LEU A 103 -10.550 -0.829 -10.012 1.00 0.00 C ATOM 589 O LEU A 103 -10.968 -1.662 -10.821 1.00 0.00 O ATOM 590 CB LEU A 103 -9.423 0.904 -11.447 1.00 0.00 C ATOM 591 CG LEU A 103 -10.345 2.109 -11.211 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.945 2.927 -9.982 1.00 0.00 C ATOM 593 CD2 LEU A 103 -10.382 2.987 -12.452 1.00 0.00 C ATOM 0 H LEU A 103 -8.364 -1.715 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.063 0.527 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.436 1.273 -11.728 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.805 0.337 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.343 1.719 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.631 3.766 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.988 2.295 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.930 3.304 -10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.038 3.839 -12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.377 3.344 -12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.758 2.408 -13.296 1.00 0.00 H new ATOM 594 N GLU A 104 -11.236 -0.348 -8.990 1.00 0.00 N ATOM 595 CA GLU A 104 -12.596 -0.779 -8.603 1.00 0.00 C ATOM 596 C GLU A 104 -13.692 -0.189 -9.506 1.00 0.00 C ATOM 597 O GLU A 104 -14.867 -0.218 -9.161 1.00 0.00 O ATOM 598 CB GLU A 104 -12.800 -0.288 -7.169 1.00 0.00 C ATOM 599 CG GLU A 104 -12.052 -1.154 -6.168 1.00 0.00 C ATOM 600 CD GLU A 104 -12.807 -2.453 -5.837 1.00 0.00 C ATOM 601 OE1 GLU A 104 -14.034 -2.386 -5.652 1.00 0.00 O ATOM 602 OE2 GLU A 104 -12.128 -3.485 -5.707 1.00 0.00 O ATOM 0 H GLU A 104 -10.862 0.377 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.676 -1.862 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.458 0.744 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.864 -0.292 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.069 -1.400 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.890 -0.587 -5.251 1.00 0.00 H new ATOM 603 N GLU A 105 -13.309 0.177 -10.744 1.00 0.00 N ATOM 604 CA GLU A 105 -14.042 1.059 -11.675 1.00 0.00 C ATOM 605 C GLU A 105 -14.371 2.445 -11.147 1.00 0.00 C ATOM 606 O GLU A 105 -14.071 3.469 -11.757 1.00 0.00 O ATOM 607 CB GLU A 105 -15.321 0.410 -12.225 1.00 0.00 C ATOM 608 CG GLU A 105 -15.034 -0.713 -13.221 1.00 0.00 C ATOM 609 CD GLU A 105 -16.364 -1.258 -13.718 1.00 0.00 C ATOM 610 OE1 GLU A 105 -16.920 -2.114 -12.984 1.00 0.00 O ATOM 611 OE2 GLU A 105 -16.820 -0.778 -14.777 1.00 0.00 O ATOM 0 H GLU A 105 -12.431 -0.153 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.322 1.199 -12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.907 0.013 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.930 1.173 -12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.441 -0.339 -14.055 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.453 -1.503 -12.746 1.00 0.00 H new ATOM 612 N ASN A 106 -14.977 2.404 -9.974 1.00 0.00 N ATOM 613 CA ASN A 106 -15.039 3.522 -9.029 1.00 0.00 C ATOM 614 C ASN A 106 -13.586 3.815 -8.616 1.00 0.00 C ATOM 615 O ASN A 106 -12.752 2.911 -8.563 1.00 0.00 O ATOM 616 CB ASN A 106 -15.781 2.961 -7.826 1.00 0.00 C ATOM 617 CG ASN A 106 -16.587 4.063 -7.145 1.00 0.00 C ATOM 618 OD1 ASN A 106 -16.164 5.207 -7.011 1.00 0.00 O ATOM 619 ND2 ASN A 106 -17.754 3.703 -6.676 1.00 0.00 N ATOM 0 H ASN A 106 -15.456 1.570 -9.636 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.514 4.420 -9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.445 2.156 -8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.071 2.530 -7.120 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.337 4.380 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.081 2.745 -6.802 1.00 0.00 H new ATOM 620 N HIS A 107 -13.383 5.035 -8.130 1.00 0.00 N ATOM 621 CA HIS A 107 -12.034 5.579 -7.893 1.00 0.00 C ATOM 622 C HIS A 107 -11.450 5.168 -6.535 1.00 0.00 C ATOM 623 O HIS A 107 -11.353 5.938 -5.577 1.00 0.00 O ATOM 624 CB HIS A 107 -12.020 7.101 -8.083 1.00 0.00 C ATOM 625 CG HIS A 107 -12.636 7.546 -9.419 1.00 0.00 C ATOM 626 ND1 HIS A 107 -12.979 6.770 -10.442 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.194 8.731 -9.623 1.00 0.00 C ATOM 628 CE1 HIS A 107 -13.784 7.443 -11.255 1.00 0.00 C ATOM 629 NE2 HIS A 107 -13.914 8.666 -10.735 1.00 0.00 N ATOM 0 H HIS A 107 -14.138 5.677 -7.888 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.378 5.136 -8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.566 7.569 -7.264 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.992 7.459 -8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.082 9.600 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.244 7.074 -12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.473 9.423 -11.127 1.00 0.00 H new ATOM 630 N TYR A 108 -11.290 3.855 -6.430 1.00 0.00 N ATOM 631 CA TYR A 108 -10.605 3.172 -5.316 1.00 0.00 C ATOM 632 C TYR A 108 -9.549 2.294 -5.964 1.00 0.00 C ATOM 633 O TYR A 108 -9.827 1.311 -6.653 1.00 0.00 O ATOM 634 CB TYR A 108 -11.505 2.257 -4.492 1.00 0.00 C ATOM 635 CG TYR A 108 -12.709 2.991 -3.922 1.00 0.00 C ATOM 636 CD1 TYR A 108 -12.605 3.637 -2.676 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.903 2.973 -4.678 1.00 0.00 C ATOM 638 CE1 TYR A 108 -13.738 4.318 -2.185 1.00 0.00 C ATOM 639 CE2 TYR A 108 -15.022 3.652 -4.182 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.917 4.313 -2.952 1.00 0.00 C ATOM 641 OH TYR A 108 -15.978 5.019 -2.474 1.00 0.00 O ATOM 0 H TYR A 108 -11.641 3.207 -7.135 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.223 3.932 -4.634 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.848 1.431 -5.115 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.928 1.822 -3.676 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.684 3.612 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.951 2.446 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.701 4.834 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.948 3.666 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.732 4.938 -3.095 1.00 0.00 H new ATOM 642 N ASN A 109 -8.337 2.801 -5.815 1.00 0.00 N ATOM 643 CA ASN A 109 -7.171 2.202 -6.478 1.00 0.00 C ATOM 644 C ASN A 109 -6.514 1.125 -5.621 1.00 0.00 C ATOM 645 O ASN A 109 -6.170 1.314 -4.455 1.00 0.00 O ATOM 646 CB ASN A 109 -6.180 3.305 -6.831 1.00 0.00 C ATOM 647 CG ASN A 109 -6.442 3.950 -8.202 1.00 0.00 C ATOM 648 OD1 ASN A 109 -6.562 5.155 -8.353 1.00 0.00 O ATOM 649 ND2 ASN A 109 -6.471 3.156 -9.255 1.00 0.00 N ATOM 0 H ASN A 109 -8.126 3.621 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.506 1.706 -7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.218 4.077 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.171 2.893 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.593 3.550 -10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.371 2.148 -9.136 1.00 0.00 H new ATOM 650 N THR A 110 -6.739 -0.059 -6.150 1.00 0.00 N ATOM 651 CA THR A 110 -6.166 -1.319 -5.675 1.00 0.00 C ATOM 652 C THR A 110 -4.830 -1.561 -6.384 1.00 0.00 C ATOM 653 O THR A 110 -4.537 -0.950 -7.425 1.00 0.00 O ATOM 654 CB THR A 110 -7.244 -2.383 -5.923 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.812 -2.212 -7.232 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.361 -2.294 -4.891 1.00 0.00 C ATOM 0 H THR A 110 -7.350 -0.184 -6.957 1.00 0.00 H new ATOM 0 HA THR A 110 -5.918 -1.330 -4.614 1.00 0.00 H new ATOM 0 HB THR A 110 -6.766 -3.359 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.275 -3.034 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.108 -3.061 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.948 -2.446 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.828 -1.310 -4.944 1.00 0.00 H new ATOM 657 N TYR A 111 -3.979 -2.420 -5.828 1.00 0.00 N ATOM 658 CA TYR A 111 -2.546 -2.459 -6.204 1.00 0.00 C ATOM 659 C TYR A 111 -1.888 -3.838 -6.156 1.00 0.00 C ATOM 660 O TYR A 111 -1.398 -4.255 -5.109 1.00 0.00 O ATOM 661 CB TYR A 111 -1.769 -1.489 -5.310 1.00 0.00 C ATOM 662 CG TYR A 111 -2.075 -0.007 -5.572 1.00 0.00 C ATOM 663 CD1 TYR A 111 -1.667 0.548 -6.811 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.719 0.757 -4.584 1.00 0.00 C ATOM 665 CE1 TYR A 111 -1.928 1.903 -7.056 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.982 2.119 -4.842 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.590 2.668 -6.082 1.00 0.00 C ATOM 668 OH TYR A 111 -2.880 3.968 -6.344 1.00 0.00 O ATOM 0 H TYR A 111 -4.244 -3.101 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.511 -2.167 -7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.992 -1.716 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.702 -1.658 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.166 -0.060 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -3.007 0.310 -3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.622 2.356 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.476 2.732 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.723 4.153 -7.293 1.00 0.00 H new ATOM 669 N ILE A 112 -1.771 -4.494 -7.318 1.00 0.00 N ATOM 670 CA ILE A 112 -1.025 -5.778 -7.394 1.00 0.00 C ATOM 671 C ILE A 112 0.477 -5.478 -7.298 1.00 0.00 C ATOM 672 O ILE A 112 1.046 -4.817 -8.159 1.00 0.00 O ATOM 673 CB ILE A 112 -1.265 -6.587 -8.697 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.725 -6.953 -8.946 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.394 -7.858 -8.792 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.381 -7.918 -7.957 1.00 0.00 C ATOM 0 H ILE A 112 -2.168 -4.176 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.391 -6.389 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.961 -5.895 -9.482 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.307 -6.032 -8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.799 -7.388 -9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.610 -8.378 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.660 -7.580 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.616 -8.515 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.416 -8.092 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.839 -8.864 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.356 -7.486 -6.956 1.00 0.00 H new ATOM 677 N SER A 113 1.109 -6.147 -6.346 1.00 0.00 N ATOM 678 CA SER A 113 2.576 -6.151 -6.227 1.00 0.00 C ATOM 679 C SER A 113 3.178 -6.928 -7.400 1.00 0.00 C ATOM 680 O SER A 113 2.885 -8.103 -7.593 1.00 0.00 O ATOM 681 CB SER A 113 3.037 -6.779 -4.908 1.00 0.00 C ATOM 682 OG SER A 113 4.472 -6.788 -4.851 1.00 0.00 O ATOM 0 H SER A 113 0.632 -6.701 -5.635 1.00 0.00 H new ATOM 0 HA SER A 113 2.918 -5.116 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.634 -6.217 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.654 -7.796 -4.825 1.00 0.00 H new ATOM 0 HG SER A 113 4.772 -6.268 -4.076 1.00 0.00 H new ATOM 683 N LYS A 114 4.017 -6.229 -8.160 1.00 0.00 N ATOM 684 CA LYS A 114 4.685 -6.759 -9.375 1.00 0.00 C ATOM 685 C LYS A 114 5.184 -8.199 -9.239 1.00 0.00 C ATOM 686 O LYS A 114 4.722 -9.075 -9.952 1.00 0.00 O ATOM 687 CB LYS A 114 5.855 -5.847 -9.741 1.00 0.00 C ATOM 688 CG LYS A 114 5.740 -5.265 -11.149 1.00 0.00 C ATOM 689 CD LYS A 114 5.872 -6.340 -12.218 1.00 0.00 C ATOM 690 CE LYS A 114 5.440 -5.724 -13.539 1.00 0.00 C ATOM 691 NZ LYS A 114 5.523 -6.749 -14.591 1.00 0.00 N ATOM 0 H LYS A 114 4.265 -5.261 -7.957 1.00 0.00 H new ATOM 0 HA LYS A 114 3.930 -6.774 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.912 -5.031 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.786 -6.409 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.779 -4.761 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.513 -4.511 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.900 -6.696 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.250 -7.201 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.421 -5.344 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.079 -4.876 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.229 -6.338 -15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.502 -7.091 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.896 -7.544 -14.352 1.00 0.00 H new ATOM 692 N LYS A 115 5.982 -8.447 -8.204 1.00 0.00 N ATOM 693 CA LYS A 115 6.536 -9.797 -7.982 1.00 0.00 C ATOM 694 C LYS A 115 5.486 -10.804 -7.474 1.00 0.00 C ATOM 695 O LYS A 115 5.488 -11.972 -7.881 1.00 0.00 O ATOM 696 CB LYS A 115 7.788 -9.717 -7.097 1.00 0.00 C ATOM 697 CG LYS A 115 7.477 -9.502 -5.615 1.00 0.00 C ATOM 698 CD LYS A 115 8.300 -10.413 -4.696 1.00 0.00 C ATOM 699 CE LYS A 115 8.019 -11.893 -4.928 1.00 0.00 C ATOM 700 NZ LYS A 115 9.177 -12.503 -5.596 1.00 0.00 N ATOM 0 H LYS A 115 6.261 -7.751 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 115 6.844 -10.197 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.362 -10.637 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.420 -8.902 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.671 -8.461 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.416 -9.682 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.361 -10.220 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.083 -10.165 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.826 -12.393 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.125 -12.015 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.849 -13.224 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.710 -11.770 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.793 -12.948 -4.886 1.00 0.00 H new ATOM 701 N HIS A 116 4.535 -10.327 -6.672 1.00 0.00 N ATOM 702 CA HIS A 116 3.426 -11.137 -6.141 1.00 0.00 C ATOM 703 C HIS A 116 2.192 -11.159 -7.062 1.00 0.00 C ATOM 704 O HIS A 116 1.085 -11.461 -6.620 1.00 0.00 O ATOM 705 CB HIS A 116 3.009 -10.610 -4.754 1.00 0.00 C ATOM 706 CG HIS A 116 4.160 -10.570 -3.764 1.00 0.00 C ATOM 707 ND1 HIS A 116 4.571 -9.489 -3.130 1.00 0.00 N ATOM 708 CD2 HIS A 116 4.935 -11.590 -3.409 1.00 0.00 C ATOM 709 CE1 HIS A 116 5.605 -9.813 -2.385 1.00 0.00 C ATOM 710 NE2 HIS A 116 5.846 -11.114 -2.559 1.00 0.00 N ATOM 0 H HIS A 116 4.508 -9.355 -6.365 1.00 0.00 H new ATOM 0 HA HIS A 116 3.797 -12.160 -6.073 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.595 -9.608 -4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.215 -11.242 -4.355 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.157 -8.560 -3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 116 4.844 -12.612 -3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.161 -9.144 -1.745 1.00 0.00 H new ATOM 711 N ALA A 117 2.426 -10.937 -8.354 1.00 0.00 N ATOM 712 CA ALA A 117 1.403 -11.159 -9.401 1.00 0.00 C ATOM 713 C ALA A 117 0.997 -12.639 -9.439 1.00 0.00 C ATOM 714 O ALA A 117 -0.189 -12.951 -9.377 1.00 0.00 O ATOM 715 CB ALA A 117 1.954 -10.700 -10.751 1.00 0.00 C ATOM 0 H ALA A 117 3.319 -10.601 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 117 0.510 -10.576 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.203 -10.862 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.201 -9.640 -10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.851 -11.271 -10.991 1.00 0.00 H new ATOM 716 N GLU A 118 1.990 -13.487 -9.138 1.00 0.00 N ATOM 717 CA GLU A 118 1.794 -14.940 -8.999 1.00 0.00 C ATOM 718 C GLU A 118 0.937 -15.384 -7.791 1.00 0.00 C ATOM 719 O GLU A 118 0.391 -16.491 -7.776 1.00 0.00 O ATOM 720 CB GLU A 118 3.102 -15.749 -9.100 1.00 0.00 C ATOM 721 CG GLU A 118 4.362 -15.083 -8.531 1.00 0.00 C ATOM 722 CD GLU A 118 5.263 -14.500 -9.633 1.00 0.00 C ATOM 723 OE1 GLU A 118 4.852 -13.463 -10.199 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.315 -15.120 -9.888 1.00 0.00 O ATOM 0 H GLU A 118 2.953 -13.187 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 118 1.192 -15.186 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.956 -16.699 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.282 -15.978 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.071 -14.288 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.927 -15.814 -7.952 1.00 0.00 H new ATOM 725 N LYS A 119 0.766 -14.461 -6.852 1.00 0.00 N ATOM 726 CA LYS A 119 -0.046 -14.634 -5.630 1.00 0.00 C ATOM 727 C LYS A 119 -1.286 -13.704 -5.564 1.00 0.00 C ATOM 728 O LYS A 119 -2.164 -13.921 -4.732 1.00 0.00 O ATOM 729 CB LYS A 119 0.870 -14.386 -4.441 1.00 0.00 C ATOM 730 CG LYS A 119 1.690 -15.647 -4.138 1.00 0.00 C ATOM 731 CD LYS A 119 3.099 -15.306 -3.638 1.00 0.00 C ATOM 732 CE LYS A 119 4.003 -14.897 -4.807 1.00 0.00 C ATOM 733 NZ LYS A 119 5.379 -14.703 -4.322 1.00 0.00 N ATOM 0 H LYS A 119 1.198 -13.539 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 119 -0.451 -15.646 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.537 -13.551 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.279 -14.108 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.173 -16.245 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.762 -16.258 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.046 -14.495 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.527 -16.167 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.984 -15.665 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.634 -13.978 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.843 -13.961 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.358 -14.419 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.910 -15.592 -4.418 1.00 0.00 H new ATOM 734 N ASN A 120 -1.388 -12.796 -6.547 1.00 0.00 N ATOM 735 CA ASN A 120 -2.390 -11.705 -6.640 1.00 0.00 C ATOM 736 C ASN A 120 -2.422 -10.755 -5.433 1.00 0.00 C ATOM 737 O ASN A 120 -3.450 -10.156 -5.128 1.00 0.00 O ATOM 738 CB ASN A 120 -3.797 -12.270 -6.895 1.00 0.00 C ATOM 739 CG ASN A 120 -3.889 -13.064 -8.196 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.933 -12.529 -9.301 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.933 -14.373 -8.076 1.00 0.00 N ATOM 0 H ASN A 120 -0.747 -12.796 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 120 -2.066 -11.103 -7.489 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.082 -12.912 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.513 -11.449 -6.924 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.005 -14.959 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.895 -14.802 -7.151 1.00 0.00 H new ATOM 742 N TRP A 121 -1.248 -10.488 -4.858 1.00 0.00 N ATOM 743 CA TRP A 121 -1.220 -9.659 -3.634 1.00 0.00 C ATOM 744 C TRP A 121 -1.341 -8.164 -3.867 1.00 0.00 C ATOM 745 O TRP A 121 -0.475 -7.509 -4.452 1.00 0.00 O ATOM 746 CB TRP A 121 -0.060 -9.932 -2.679 1.00 0.00 C ATOM 747 CG TRP A 121 -0.068 -11.349 -2.091 1.00 0.00 C ATOM 748 CD1 TRP A 121 -1.072 -12.204 -2.040 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.012 -11.930 -1.454 1.00 0.00 C ATOM 750 NE1 TRP A 121 -0.684 -13.308 -1.408 1.00 0.00 N ATOM 751 CE2 TRP A 121 0.586 -13.184 -1.010 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.321 -11.483 -1.206 1.00 0.00 C ATOM 753 CZ2 TRP A 121 1.442 -14.014 -0.262 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.204 -12.312 -0.509 1.00 0.00 C ATOM 755 CH2 TRP A 121 2.745 -13.553 0.010 1.00 0.00 C ATOM 0 H TRP A 121 -0.341 -10.811 -5.193 1.00 0.00 H new ATOM 0 HA TRP A 121 -2.132 -9.998 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 121 0.880 -9.772 -3.208 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -0.094 -9.209 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.057 -12.033 -2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.269 -14.128 -1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 121 2.641 -10.510 -1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 1.109 -14.978 0.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.231 -12.011 -0.365 1.00 0.00 H new ATOM 0 HH2 TRP A 121 3.404 -14.151 0.622 1.00 0.00 H new ATOM 756 N PHE A 122 -2.493 -7.685 -3.397 1.00 0.00 N ATOM 757 CA PHE A 122 -2.781 -6.245 -3.290 1.00 0.00 C ATOM 758 C PHE A 122 -2.414 -5.756 -1.889 1.00 0.00 C ATOM 759 O PHE A 122 -2.464 -6.524 -0.932 1.00 0.00 O ATOM 760 CB PHE A 122 -4.272 -5.960 -3.476 1.00 0.00 C ATOM 761 CG PHE A 122 -4.928 -6.480 -4.754 1.00 0.00 C ATOM 762 CD1 PHE A 122 -5.437 -7.793 -4.771 1.00 0.00 C ATOM 763 CD2 PHE A 122 -5.277 -5.547 -5.762 1.00 0.00 C ATOM 764 CE1 PHE A 122 -6.319 -8.189 -5.801 1.00 0.00 C ATOM 765 CE2 PHE A 122 -6.175 -5.934 -6.784 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.682 -7.253 -6.789 1.00 0.00 C ATOM 0 H PHE A 122 -3.257 -8.281 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.203 -5.740 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.806 -6.384 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.417 -4.880 -3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -5.154 -8.494 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.861 -4.550 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.710 -9.195 -5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.469 -5.231 -7.550 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.365 -7.551 -7.570 1.00 0.00 H new ATOM 767 N VAL A 123 -2.038 -4.473 -1.796 1.00 0.00 N ATOM 768 CA VAL A 123 -1.838 -3.813 -0.493 1.00 0.00 C ATOM 769 C VAL A 123 -3.176 -3.528 0.208 1.00 0.00 C ATOM 770 O VAL A 123 -4.183 -3.320 -0.465 1.00 0.00 O ATOM 771 CB VAL A 123 -1.000 -2.527 -0.488 1.00 0.00 C ATOM 772 CG1 VAL A 123 0.447 -2.873 -0.785 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.437 -1.406 -1.417 1.00 0.00 C ATOM 0 H VAL A 123 -1.866 -3.872 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.248 -4.551 0.051 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.149 -2.121 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.047 -1.963 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 123 0.822 -3.556 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.514 -3.349 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.758 -0.560 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.418 -1.760 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.449 -1.093 -1.159 1.00 0.00 H new ATOM 774 N GLY A 124 -3.113 -3.397 1.521 1.00 0.00 N ATOM 775 CA GLY A 124 -4.309 -3.185 2.355 1.00 0.00 C ATOM 776 C GLY A 124 -3.992 -2.506 3.669 1.00 0.00 C ATOM 777 O GLY A 124 -2.842 -2.357 4.073 1.00 0.00 O ATOM 0 H GLY A 124 -2.241 -3.433 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -5.029 -2.581 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.784 -4.146 2.553 1.00 0.00 H new ATOM 778 N LEU A 125 -5.053 -1.890 4.156 1.00 0.00 N ATOM 779 CA LEU A 125 -4.996 -1.110 5.398 1.00 0.00 C ATOM 780 C LEU A 125 -5.532 -1.869 6.598 1.00 0.00 C ATOM 781 O LEU A 125 -6.414 -1.407 7.326 1.00 0.00 O ATOM 782 CB LEU A 125 -5.626 0.250 5.136 1.00 0.00 C ATOM 783 CG LEU A 125 -4.473 1.252 4.996 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.342 0.871 4.050 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.043 2.614 4.589 1.00 0.00 C ATOM 0 H LEU A 125 -5.973 -1.909 3.715 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.961 -0.933 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.231 0.228 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.288 0.534 5.954 1.00 0.00 H new ATOM 0 HG LEU A 125 -4.002 1.269 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.592 1.662 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.884 -0.059 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.739 0.737 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.230 3.333 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.566 2.520 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.740 2.960 5.353 1.00 0.00 H new ATOM 786 N LYS A 126 -4.675 -2.824 6.935 1.00 0.00 N ATOM 787 CA LYS A 126 -5.010 -3.910 7.855 1.00 0.00 C ATOM 788 C LYS A 126 -5.792 -3.442 9.094 1.00 0.00 C ATOM 789 O LYS A 126 -5.247 -2.728 9.927 1.00 0.00 O ATOM 790 CB LYS A 126 -3.731 -4.630 8.287 1.00 0.00 C ATOM 791 CG LYS A 126 -3.988 -6.081 8.701 1.00 0.00 C ATOM 792 CD LYS A 126 -3.422 -6.392 10.081 1.00 0.00 C ATOM 793 CE LYS A 126 -4.043 -5.534 11.187 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.503 -6.000 12.467 1.00 0.00 N ATOM 0 H LYS A 126 -3.721 -2.870 6.577 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.667 -4.590 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.012 -4.611 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.279 -4.092 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.061 -6.274 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.541 -6.752 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.589 -7.445 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.343 -6.236 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.807 -4.481 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.129 -5.622 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.270 -6.403 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.780 -6.728 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.074 -5.200 12.975 1.00 0.00 H new ATOM 795 N LYS A 127 -6.935 -4.110 9.254 1.00 0.00 N ATOM 796 CA LYS A 127 -8.105 -3.784 10.104 1.00 0.00 C ATOM 797 C LYS A 127 -7.970 -3.463 11.602 1.00 0.00 C ATOM 798 O LYS A 127 -8.949 -3.470 12.348 1.00 0.00 O ATOM 799 CB LYS A 127 -9.111 -4.939 9.942 1.00 0.00 C ATOM 800 CG LYS A 127 -9.847 -4.986 8.608 1.00 0.00 C ATOM 801 CD LYS A 127 -10.779 -3.790 8.448 1.00 0.00 C ATOM 802 CE LYS A 127 -11.610 -3.884 7.158 1.00 0.00 C ATOM 803 NZ LYS A 127 -12.864 -4.612 7.399 1.00 0.00 N ATOM 0 H LYS A 127 -7.090 -4.981 8.746 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.393 -2.804 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.580 -5.881 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.848 -4.870 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.125 -4.999 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.422 -5.910 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.447 -3.732 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.193 -2.871 8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -11.830 -2.883 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -11.033 -4.390 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -13.410 -4.664 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.649 -5.574 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.421 -4.113 8.122 1.00 0.00 H new ATOM 804 N ASN A 128 -6.754 -3.177 12.053 1.00 0.00 N ATOM 805 CA ASN A 128 -6.442 -2.895 13.465 1.00 0.00 C ATOM 806 C ASN A 128 -5.646 -1.596 13.611 1.00 0.00 C ATOM 807 O ASN A 128 -6.170 -0.589 14.074 1.00 0.00 O ATOM 808 CB ASN A 128 -5.638 -4.072 14.008 1.00 0.00 C ATOM 809 CG ASN A 128 -6.436 -5.315 14.446 1.00 0.00 C ATOM 810 OD1 ASN A 128 -5.877 -6.264 14.973 1.00 0.00 O ATOM 811 ND2 ASN A 128 -7.729 -5.374 14.213 1.00 0.00 N ATOM 0 H ASN A 128 -5.937 -3.132 11.444 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.368 -2.768 14.027 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -4.925 -4.378 13.243 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.058 -3.722 14.862 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.256 -6.208 14.472 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.204 -4.586 13.773 1.00 0.00 H new ATOM 812 N GLY A 129 -4.359 -1.693 13.265 1.00 0.00 N ATOM 813 CA GLY A 129 -3.427 -0.547 13.248 1.00 0.00 C ATOM 814 C GLY A 129 -2.151 -0.872 12.464 1.00 0.00 C ATOM 815 O GLY A 129 -1.050 -0.826 13.006 1.00 0.00 O ATOM 0 H GLY A 129 -3.925 -2.573 12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.919 0.317 12.802 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.167 -0.273 14.270 1.00 0.00 H new ATOM 816 N SER A 130 -2.378 -1.439 11.284 1.00 0.00 N ATOM 817 CA SER A 130 -1.306 -1.863 10.373 1.00 0.00 C ATOM 818 C SER A 130 -1.718 -1.785 8.897 1.00 0.00 C ATOM 819 O SER A 130 -2.772 -1.260 8.556 1.00 0.00 O ATOM 820 CB SER A 130 -0.868 -3.286 10.767 1.00 0.00 C ATOM 821 OG SER A 130 0.170 -3.794 9.920 1.00 0.00 O ATOM 0 H SER A 130 -3.315 -1.621 10.925 1.00 0.00 H new ATOM 0 HA SER A 130 -0.466 -1.175 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.521 -3.283 11.800 1.00 0.00 H new ATOM 0 HB3 SER A 130 -1.729 -3.953 10.722 1.00 0.00 H new ATOM 0 HG SER A 130 1.036 -3.697 10.369 1.00 0.00 H new ATOM 822 N CYS A 131 -0.726 -2.009 8.044 1.00 0.00 N ATOM 823 CA CYS A 131 -0.920 -2.169 6.590 1.00 0.00 C ATOM 824 C CYS A 131 -0.700 -3.648 6.247 1.00 0.00 C ATOM 825 O CYS A 131 -1.642 -4.337 5.885 1.00 0.00 O ATOM 826 CB CYS A 131 0.080 -1.378 5.760 1.00 0.00 C ATOM 827 SG CYS A 131 0.130 0.435 6.038 1.00 0.00 S ATOM 0 H CYS A 131 0.249 -2.087 8.335 1.00 0.00 H new ATOM 0 HA CYS A 131 -1.922 -1.808 6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.075 -1.779 5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.137 -1.555 4.707 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.956 0.976 5.571 1.00 0.00 H new ATOM 828 N LYS A 132 0.480 -4.150 6.613 1.00 0.00 N ATOM 829 CA LYS A 132 0.995 -5.494 6.274 1.00 0.00 C ATOM 830 C LYS A 132 0.097 -6.711 6.539 1.00 0.00 C ATOM 831 O LYS A 132 -0.588 -6.785 7.554 1.00 0.00 O ATOM 832 CB LYS A 132 2.406 -5.668 6.851 1.00 0.00 C ATOM 833 CG LYS A 132 2.522 -5.541 8.371 1.00 0.00 C ATOM 834 CD LYS A 132 2.529 -6.905 9.058 1.00 0.00 C ATOM 835 CE LYS A 132 1.356 -7.086 10.022 1.00 0.00 C ATOM 836 NZ LYS A 132 1.474 -8.437 10.579 1.00 0.00 N ATOM 0 H LYS A 132 1.138 -3.614 7.179 1.00 0.00 H new ATOM 0 HA LYS A 132 1.014 -5.498 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 132 2.780 -6.649 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.060 -4.927 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.437 -5.004 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 132 1.690 -4.948 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 132 2.496 -7.689 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.465 -7.028 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 132 1.386 -6.337 10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 132 0.406 -6.963 9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 0.693 -8.608 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.431 -9.135 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.381 -8.528 11.079 1.00 0.00 H new ATOM 837 N ARG A 133 -0.156 -7.383 5.413 1.00 0.00 N ATOM 838 CA ARG A 133 -0.724 -8.739 5.405 1.00 0.00 C ATOM 839 C ARG A 133 -0.317 -9.660 4.241 1.00 0.00 C ATOM 840 O ARG A 133 0.368 -10.640 4.509 1.00 0.00 O ATOM 841 CB ARG A 133 -2.256 -8.748 5.627 1.00 0.00 C ATOM 842 CG ARG A 133 -3.076 -8.181 4.479 1.00 0.00 C ATOM 843 CD ARG A 133 -3.075 -6.653 4.391 1.00 0.00 C ATOM 844 NE ARG A 133 -2.618 -6.393 3.015 1.00 0.00 N ATOM 845 CZ ARG A 133 -1.408 -6.008 2.634 1.00 0.00 C ATOM 846 NH1 ARG A 133 -0.528 -5.513 3.474 1.00 0.00 N ATOM 847 NH2 ARG A 133 -0.920 -6.434 1.491 1.00 0.00 N ATOM 0 H ARG A 133 0.025 -7.006 4.483 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.241 -9.192 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.575 -9.774 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.480 -8.179 6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -2.694 -8.586 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -4.105 -8.526 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -4.067 -6.239 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.406 -6.208 5.128 1.00 0.00 H new ATOM 0 HE ARG A 133 -3.308 -6.523 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.765 -5.413 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.393 -5.229 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.472 -7.058 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.010 -6.141 1.193 1.00 0.00 H new ATOM 848 N GLY A 134 -0.646 -9.291 3.002 1.00 0.00 N ATOM 849 CA GLY A 134 -0.403 -10.107 1.779 1.00 0.00 C ATOM 850 C GLY A 134 -1.473 -11.163 1.428 1.00 0.00 C ATOM 851 O GLY A 134 -2.416 -10.821 0.720 1.00 0.00 O ATOM 0 H GLY A 134 -1.099 -8.400 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.303 -9.429 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.554 -10.617 1.894 1.00 0.00 H new ATOM 852 N PRO A 135 -1.353 -12.435 1.858 1.00 0.00 N ATOM 853 CA PRO A 135 -2.234 -13.526 1.390 1.00 0.00 C ATOM 854 C PRO A 135 -3.733 -13.437 1.722 1.00 0.00 C ATOM 855 O PRO A 135 -4.549 -14.120 1.104 1.00 0.00 O ATOM 856 CB PRO A 135 -1.549 -14.807 1.863 1.00 0.00 C ATOM 857 CG PRO A 135 -0.879 -14.379 3.156 1.00 0.00 C ATOM 858 CD PRO A 135 -0.370 -12.972 2.828 1.00 0.00 C ATOM 0 HA PRO A 135 -2.324 -13.471 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.266 -15.611 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.824 -15.170 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.580 -14.371 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -0.065 -15.050 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.316 -12.351 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 135 0.632 -13.003 2.401 1.00 0.00 H new ATOM 859 N ARG A 136 -4.036 -12.612 2.717 1.00 0.00 N ATOM 860 CA ARG A 136 -5.415 -12.225 3.082 1.00 0.00 C ATOM 861 C ARG A 136 -6.090 -11.334 2.019 1.00 0.00 C ATOM 862 O ARG A 136 -7.288 -11.435 1.751 1.00 0.00 O ATOM 863 CB ARG A 136 -5.218 -11.468 4.389 1.00 0.00 C ATOM 864 CG ARG A 136 -6.530 -11.047 5.051 1.00 0.00 C ATOM 865 CD ARG A 136 -6.562 -9.523 5.223 1.00 0.00 C ATOM 866 NE ARG A 136 -7.882 -9.126 5.706 1.00 0.00 N ATOM 867 CZ ARG A 136 -8.168 -8.582 6.890 1.00 0.00 C ATOM 868 NH1 ARG A 136 -7.226 -8.177 7.739 1.00 0.00 N ATOM 869 NH2 ARG A 136 -9.418 -8.308 7.194 1.00 0.00 N ATOM 0 H ARG A 136 -3.327 -12.180 3.309 1.00 0.00 H new ATOM 0 HA ARG A 136 -6.077 -13.087 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.655 -12.094 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.615 -10.580 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -7.375 -11.371 4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.630 -11.533 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.793 -9.208 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.345 -9.032 4.274 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.666 -9.281 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.241 -8.278 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -7.489 -7.766 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -10.162 -8.512 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -9.644 -7.892 8.098 1.00 0.00 H new ATOM 870 N THR A 137 -5.281 -10.467 1.415 1.00 0.00 N ATOM 871 CA THR A 137 -5.752 -9.347 0.579 1.00 0.00 C ATOM 872 C THR A 137 -5.799 -9.569 -0.936 1.00 0.00 C ATOM 873 O THR A 137 -4.877 -9.275 -1.694 1.00 0.00 O ATOM 874 CB THR A 137 -4.975 -8.087 0.925 1.00 0.00 C ATOM 875 OG1 THR A 137 -3.597 -8.382 1.097 1.00 0.00 O ATOM 876 CG2 THR A 137 -5.690 -7.365 2.061 1.00 0.00 C ATOM 0 H THR A 137 -4.265 -10.517 1.489 1.00 0.00 H new ATOM 0 HA THR A 137 -6.807 -9.247 0.836 1.00 0.00 H new ATOM 0 HB THR A 137 -4.963 -7.366 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 137 -3.078 -7.948 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 137 -5.142 -6.459 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 137 -6.700 -7.101 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 137 -5.741 -8.018 2.932 1.00 0.00 H new ATOM 877 N HIS A 138 -7.031 -9.873 -1.289 1.00 0.00 N ATOM 878 CA HIS A 138 -7.526 -9.986 -2.668 1.00 0.00 C ATOM 879 C HIS A 138 -8.855 -9.230 -2.817 1.00 0.00 C ATOM 880 O HIS A 138 -9.514 -8.906 -1.831 1.00 0.00 O ATOM 881 CB HIS A 138 -7.716 -11.461 -3.064 1.00 0.00 C ATOM 882 CG HIS A 138 -8.607 -12.232 -2.078 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.932 -12.218 -2.035 1.00 0.00 N ATOM 884 CD2 HIS A 138 -8.169 -13.014 -1.101 1.00 0.00 C ATOM 885 CE1 HIS A 138 -10.313 -12.996 -1.020 1.00 0.00 C ATOM 886 NE2 HIS A 138 -9.220 -13.500 -0.457 1.00 0.00 N ATOM 0 H HIS A 138 -7.758 -10.059 -0.598 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.784 -9.543 -3.333 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -8.156 -11.511 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.741 -11.946 -3.121 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.549 -11.705 -2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -7.134 -13.219 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -11.331 -13.183 -0.711 1.00 0.00 H new ATOM 887 N TYR A 139 -9.128 -8.795 -4.046 1.00 0.00 N ATOM 888 CA TYR A 139 -10.446 -8.261 -4.457 1.00 0.00 C ATOM 889 C TYR A 139 -11.625 -8.931 -3.739 1.00 0.00 C ATOM 890 O TYR A 139 -11.704 -10.156 -3.643 1.00 0.00 O ATOM 891 CB TYR A 139 -10.658 -8.435 -5.956 1.00 0.00 C ATOM 892 CG TYR A 139 -10.348 -7.198 -6.826 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.422 -5.894 -6.289 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.935 -7.425 -8.152 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.037 -4.809 -7.096 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.558 -6.334 -8.955 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.603 -5.027 -8.413 1.00 0.00 C ATOM 898 OH TYR A 139 -9.143 -3.973 -9.126 1.00 0.00 O ATOM 0 H TYR A 139 -8.440 -8.799 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 139 -10.426 -7.207 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -10.036 -9.262 -6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -11.695 -8.725 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.767 -5.733 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.908 -8.429 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.075 -3.804 -6.701 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.238 -6.491 -9.974 1.00 0.00 H new ATOM 0 HH TYR A 139 -9.900 -3.480 -9.506 1.00 0.00 H new ATOM 899 N GLY A 140 -12.329 -8.069 -3.013 1.00 0.00 N ATOM 900 CA GLY A 140 -13.461 -8.472 -2.162 1.00 0.00 C ATOM 901 C GLY A 140 -13.224 -7.997 -0.727 1.00 0.00 C ATOM 902 O GLY A 140 -14.163 -7.705 0.017 1.00 0.00 O ATOM 0 H GLY A 140 -12.136 -7.068 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -14.387 -8.046 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.575 -9.556 -2.182 1.00 0.00 H new ATOM 903 N GLN A 141 -11.946 -7.932 -0.343 1.00 0.00 N ATOM 904 CA GLN A 141 -11.518 -7.283 0.898 1.00 0.00 C ATOM 905 C GLN A 141 -11.536 -5.788 0.699 1.00 0.00 C ATOM 906 O GLN A 141 -10.739 -5.200 -0.032 1.00 0.00 O ATOM 907 CB GLN A 141 -10.091 -7.653 1.274 1.00 0.00 C ATOM 908 CG GLN A 141 -9.823 -9.152 1.420 1.00 0.00 C ATOM 909 CD GLN A 141 -10.549 -9.821 2.580 1.00 0.00 C ATOM 910 OE1 GLN A 141 -10.935 -9.251 3.591 1.00 0.00 O ATOM 911 NE2 GLN A 141 -10.620 -11.132 2.478 1.00 0.00 N ATOM 0 H GLN A 141 -11.178 -8.329 -0.885 1.00 0.00 H new ATOM 0 HA GLN A 141 -12.198 -7.610 1.684 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.417 -7.252 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.841 -7.162 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -10.111 -9.650 0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.751 -9.305 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -10.295 -11.596 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -11.000 -11.684 3.247 1.00 0.00 H new ATOM 912 N LYS A 142 -12.385 -5.206 1.533 1.00 0.00 N ATOM 913 CA LYS A 142 -12.504 -3.750 1.714 1.00 0.00 C ATOM 914 C LYS A 142 -11.133 -3.085 1.978 1.00 0.00 C ATOM 915 O LYS A 142 -10.848 -1.995 1.493 1.00 0.00 O ATOM 916 CB LYS A 142 -13.447 -3.498 2.887 1.00 0.00 C ATOM 917 CG LYS A 142 -14.765 -4.275 2.750 1.00 0.00 C ATOM 918 CD LYS A 142 -15.812 -3.884 3.785 1.00 0.00 C ATOM 919 CE LYS A 142 -16.616 -2.627 3.413 1.00 0.00 C ATOM 920 NZ LYS A 142 -15.767 -1.432 3.481 1.00 0.00 N ATOM 0 H LYS A 142 -13.029 -5.737 2.120 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.896 -3.308 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.953 -3.784 3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.662 -2.432 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -15.173 -4.110 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.559 -5.342 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -16.501 -4.717 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -15.318 -3.717 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -17.023 -2.734 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -17.463 -2.517 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -16.342 -0.614 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -15.010 -1.583 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -15.347 -1.251 2.547 1.00 0.00 H new ATOM 921 N ALA A 143 -10.235 -3.890 2.564 1.00 0.00 N ATOM 922 CA ALA A 143 -8.850 -3.532 2.908 1.00 0.00 C ATOM 923 C ALA A 143 -8.016 -2.929 1.769 1.00 0.00 C ATOM 924 O ALA A 143 -7.285 -1.973 2.003 1.00 0.00 O ATOM 925 CB ALA A 143 -8.121 -4.742 3.492 1.00 0.00 C ATOM 0 H ALA A 143 -10.463 -4.850 2.823 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.948 -2.735 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -7.097 -4.464 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.636 -5.078 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -8.109 -5.548 2.759 1.00 0.00 H new ATOM 926 N ILE A 144 -8.234 -3.427 0.544 1.00 0.00 N ATOM 927 CA ILE A 144 -7.420 -3.057 -0.632 1.00 0.00 C ATOM 928 C ILE A 144 -7.832 -1.755 -1.358 1.00 0.00 C ATOM 929 O ILE A 144 -7.079 -1.207 -2.160 1.00 0.00 O ATOM 930 CB ILE A 144 -7.281 -4.248 -1.618 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.605 -4.696 -2.226 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.509 -5.370 -0.914 1.00 0.00 C ATOM 933 CD1 ILE A 144 -8.354 -5.511 -3.490 1.00 0.00 C ATOM 0 H ILE A 144 -8.976 -4.096 0.336 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.440 -2.820 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.712 -3.924 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -9.162 -5.293 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -9.219 -3.826 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.401 -6.217 -1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.522 -5.007 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -7.054 -5.684 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -9.307 -5.825 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.816 -4.901 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.759 -6.390 -3.244 1.00 0.00 H new ATOM 934 N LEU A 145 -8.989 -1.236 -0.980 1.00 0.00 N ATOM 935 CA LEU A 145 -9.649 -0.103 -1.670 1.00 0.00 C ATOM 936 C LEU A 145 -9.215 1.274 -1.158 1.00 0.00 C ATOM 937 O LEU A 145 -9.716 1.752 -0.139 1.00 0.00 O ATOM 938 CB LEU A 145 -11.169 -0.229 -1.487 1.00 0.00 C ATOM 939 CG LEU A 145 -11.894 -1.263 -2.349 1.00 0.00 C ATOM 940 CD1 LEU A 145 -11.666 -2.706 -1.895 1.00 0.00 C ATOM 941 CD2 LEU A 145 -13.401 -0.966 -2.254 1.00 0.00 C ATOM 0 H LEU A 145 -9.515 -1.583 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.352 -0.162 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.365 -0.465 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.615 0.746 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 145 -11.503 -1.182 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -12.210 -3.384 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.601 -2.937 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -12.024 -2.827 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -13.953 -1.686 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -13.722 -1.043 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -13.597 0.041 -2.621 1.00 0.00 H new ATOM 942 N PHE A 146 -8.165 1.828 -1.758 1.00 0.00 N ATOM 943 CA PHE A 146 -7.820 3.247 -1.526 1.00 0.00 C ATOM 944 C PHE A 146 -7.497 4.157 -2.705 1.00 0.00 C ATOM 945 O PHE A 146 -6.713 3.865 -3.595 1.00 0.00 O ATOM 946 CB PHE A 146 -6.789 3.437 -0.392 1.00 0.00 C ATOM 947 CG PHE A 146 -5.859 2.257 -0.174 1.00 0.00 C ATOM 948 CD1 PHE A 146 -4.897 1.943 -1.166 1.00 0.00 C ATOM 949 CD2 PHE A 146 -6.143 1.373 0.892 1.00 0.00 C ATOM 950 CE1 PHE A 146 -4.230 0.710 -1.099 1.00 0.00 C ATOM 951 CE2 PHE A 146 -5.460 0.146 0.959 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.522 -0.185 -0.037 1.00 0.00 C ATOM 0 H PHE A 146 -7.542 1.336 -2.399 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.803 3.611 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.188 4.320 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.324 3.637 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.681 2.641 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -6.873 1.636 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.500 0.444 -1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -5.654 -0.539 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 146 -4.015 -1.138 0.008 1.00 0.00 H new ATOM 953 N LEU A 147 -8.116 5.315 -2.568 1.00 0.00 N ATOM 954 CA LEU A 147 -8.071 6.426 -3.522 1.00 0.00 C ATOM 955 C LEU A 147 -6.882 7.386 -3.279 1.00 0.00 C ATOM 956 O LEU A 147 -6.879 8.124 -2.293 1.00 0.00 O ATOM 957 CB LEU A 147 -9.421 7.179 -3.549 1.00 0.00 C ATOM 958 CG LEU A 147 -10.255 7.128 -2.260 1.00 0.00 C ATOM 959 CD1 LEU A 147 -9.650 7.985 -1.152 1.00 0.00 C ATOM 960 CD2 LEU A 147 -11.674 7.623 -2.564 1.00 0.00 C ATOM 0 H LEU A 147 -8.693 5.524 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.902 5.991 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.225 8.224 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -10.023 6.773 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.271 6.096 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -10.273 7.919 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.647 7.627 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.598 9.023 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.273 7.590 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -11.631 8.648 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.128 6.983 -3.321 1.00 0.00 H new ATOM 961 N PRO A 148 -5.863 7.329 -4.129 1.00 0.00 N ATOM 962 CA PRO A 148 -4.630 8.115 -3.942 1.00 0.00 C ATOM 963 C PRO A 148 -4.810 9.601 -4.292 1.00 0.00 C ATOM 964 O PRO A 148 -5.384 9.974 -5.302 1.00 0.00 O ATOM 965 CB PRO A 148 -3.599 7.423 -4.835 1.00 0.00 C ATOM 966 CG PRO A 148 -4.414 6.815 -5.961 1.00 0.00 C ATOM 967 CD PRO A 148 -5.748 6.454 -5.308 1.00 0.00 C ATOM 0 HA PRO A 148 -4.319 8.136 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -2.865 8.133 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.049 6.659 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.550 7.521 -6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.924 5.935 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.577 6.614 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -5.771 5.403 -5.020 1.00 0.00 H new ATOM 968 N LEU A 149 -4.287 10.400 -3.371 1.00 0.00 N ATOM 969 CA LEU A 149 -4.237 11.863 -3.460 1.00 0.00 C ATOM 970 C LEU A 149 -2.767 12.320 -3.503 1.00 0.00 C ATOM 971 O LEU A 149 -2.037 12.166 -2.521 1.00 0.00 O ATOM 972 CB LEU A 149 -4.983 12.455 -2.250 1.00 0.00 C ATOM 973 CG LEU A 149 -5.105 13.980 -2.274 1.00 0.00 C ATOM 974 CD1 LEU A 149 -6.086 14.454 -3.350 1.00 0.00 C ATOM 975 CD2 LEU A 149 -5.600 14.449 -0.899 1.00 0.00 C ATOM 0 H LEU A 149 -3.871 10.041 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 149 -4.722 12.215 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -5.982 12.022 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.466 12.157 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 149 -4.127 14.402 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.145 15.542 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -5.740 14.123 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -7.073 14.035 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -5.693 15.535 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -6.571 14.001 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -4.887 14.145 -0.132 1.00 0.00 H new ATOM 976 N PRO A 150 -2.290 12.676 -4.711 1.00 0.00 N ATOM 977 CA PRO A 150 -0.957 13.313 -4.882 1.00 0.00 C ATOM 978 C PRO A 150 -0.992 14.750 -4.353 1.00 0.00 C ATOM 979 O PRO A 150 -2.006 15.440 -4.436 1.00 0.00 O ATOM 980 CB PRO A 150 -0.711 13.300 -6.386 1.00 0.00 C ATOM 981 CG PRO A 150 -1.572 12.140 -6.885 1.00 0.00 C ATOM 982 CD PRO A 150 -2.820 12.237 -6.014 1.00 0.00 C ATOM 0 HA PRO A 150 -0.170 12.793 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -1.004 14.243 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 150 0.343 13.145 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -1.810 12.241 -7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -1.068 11.181 -6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -3.538 12.951 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -3.333 11.278 -5.937 1.00 0.00 H new ATOM 983 N VAL A 151 0.138 15.160 -3.786 1.00 0.00 N ATOM 984 CA VAL A 151 0.281 16.498 -3.173 1.00 0.00 C ATOM 985 C VAL A 151 0.393 17.653 -4.178 1.00 0.00 C ATOM 986 O VAL A 151 1.302 17.730 -5.007 1.00 0.00 O ATOM 987 CB VAL A 151 1.402 16.582 -2.115 1.00 0.00 C ATOM 988 CG1 VAL A 151 1.009 15.808 -0.856 1.00 0.00 C ATOM 989 CG2 VAL A 151 2.789 16.170 -2.623 1.00 0.00 C ATOM 0 H VAL A 151 0.981 14.588 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.668 16.631 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 151 1.502 17.639 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.811 15.878 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.096 16.232 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.840 14.762 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 151 3.514 16.260 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 151 2.758 15.137 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 151 3.083 16.820 -3.447 1.00 0.00 H new ATOM 990 N SER A 152 -0.538 18.576 -3.975 1.00 0.00 N ATOM 991 CA SER A 152 -0.704 19.844 -4.721 1.00 0.00 C ATOM 992 C SER A 152 0.277 20.911 -4.249 1.00 0.00 C ATOM 993 O SER A 152 0.018 21.827 -3.469 1.00 0.00 O ATOM 994 CB SER A 152 -2.141 20.348 -4.528 1.00 0.00 C ATOM 995 OG SER A 152 -2.315 20.586 -3.134 1.00 0.00 O ATOM 0 H SER A 152 -1.244 18.466 -3.247 1.00 0.00 H new ATOM 0 HA SER A 152 -0.502 19.651 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 152 -2.309 21.261 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 152 -2.860 19.611 -4.886 1.00 0.00 H new ATOM 0 HG SER A 152 -1.604 21.178 -2.812 1.00 0.00 H new ATOM 996 N SER A 153 1.481 20.683 -4.715 1.00 0.00 N ATOM 997 CA SER A 153 2.621 21.573 -4.485 1.00 0.00 C ATOM 998 C SER A 153 2.645 22.611 -5.612 1.00 0.00 C ATOM 999 O SER A 153 2.354 22.292 -6.765 1.00 0.00 O ATOM 1000 CB SER A 153 3.770 20.561 -4.477 1.00 0.00 C ATOM 1001 OG SER A 153 4.982 21.093 -4.966 1.00 0.00 O ATOM 0 H SER A 153 1.712 19.863 -5.276 1.00 0.00 H new ATOM 0 HA SER A 153 2.634 22.177 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.923 20.202 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.490 19.698 -5.081 1.00 0.00 H new ATOM 0 HG SER A 153 5.678 20.404 -4.935 1.00 0.00 H new ATOM 1002 N ASP A 154 2.664 23.876 -5.204 1.00 0.00 N ATOM 1003 CA ASP A 154 2.670 25.042 -6.125 1.00 0.00 C ATOM 1004 C ASP A 154 3.327 26.298 -5.515 1.00 0.00 C ATOM 1005 O ASP A 154 3.587 26.248 -4.300 1.00 0.00 O ATOM 1006 CB ASP A 154 1.235 25.376 -6.583 1.00 0.00 C ATOM 1007 CG ASP A 154 0.278 25.526 -5.388 1.00 0.00 C ATOM 1008 OD1 ASP A 154 0.595 26.378 -4.523 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -0.621 24.679 -5.284 1.00 0.00 O ATOM 1010 OXT ASP A 154 3.362 27.323 -6.240 1.00 0.00 O ATOM 0 H ASP A 154 2.676 24.139 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 154 3.276 24.749 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 154 1.243 26.300 -7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 154 0.871 24.589 -7.244 1.00 0.00 H new TER 1011 ASP A 154