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 152 SER OG : rot 180:sc= 0.28 USER MOD Set 1.2: A 153 SER OG : rot 49:sc= 0.524 USER MOD Set 2.1: A 110 THR OG1 : rot -152:sc= -0.463! USER MOD Set 2.2: A 139 TYR OH : rot -66:sc= 0.00281 USER MOD Set 3.1: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 128 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.26) USER MOD Set 4.1: A 113 SER OG : rot 83:sc= 0.0803 USER MOD Set 4.2: A 116 HIS : no HE2:sc= -0.884 K(o=-0.95,f=-3.5!) USER MOD Set 4.3: A 119 LYS NZ :NH3+ -144:sc= -0.147 (180deg=0) USER MOD Set 5.1: A 109 ASN : amide:sc= -0.736 K(o=-0.64,f=-4.1!) USER MOD Set 5.2: A 111 TYR OH : rot 12:sc= 0.0972 USER MOD Set 6.1: A 90 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 92 THR OG1 : rot 40:sc= 0.472 USER MOD Set 7.1: A 72 SER OG : rot -107:sc= 1.03 USER MOD Set 7.2: A 75 THR OG1 : rot 165:sc= 0.513 USER MOD Set 8.1: A 52 SER OG : rot 150:sc= -0.0149 USER MOD Set 8.2: A 54 GLN : amide:sc= 0.157 X(o=-4.5,f=-4.9) USER MOD Set 8.3: A 55 HIS : no HD1:sc= -4.61! C(o=-4.5!,f=-4.8!) USER MOD Set 9.1: A 30 CYS SG : rot -77:sc= -4.95! USER MOD Set 9.2: A 32 ASN : amide:sc= -2.21 K(o=-7.8,f=-8.7!) USER MOD Set 9.3: A 35 HIS : no HE2:sc= -0.593 K(o=-7.8,f=-12) USER MOD Single : A 29 TYR OH : rot 30:sc=-0.00309 USER MOD Single : A 31 SER OG : rot -119:sc= 0.498 USER MOD Single : A 44 THR OG1 : rot -104:sc= 0.0907 USER MOD Single : A 48 THR OG1 : rot 90:sc= -0.279 USER MOD Single : A 57 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 59 GLN : amide:sc= -0.589 K(o=-0.59,f=-2.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -35:sc= 1.4 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.111 (180deg=-0.682) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 77 GLN : amide:sc= 0.0411 K(o=0.041,f=-3.7!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 166:sc=-0.00106 (180deg=-0.397) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00655 USER MOD Single : A 88 TYR OH : rot 8:sc= 1.28 USER MOD Single : A 91 GLN : amide:sc= -2.51! K(o=-2.5!,f=-2) USER MOD Single : A 94 ASN : amide:sc= -0.986 K(o=-0.99,f=-6.1!) USER MOD Single : A 97 CYS SG : rot -25:sc= -3.91! USER MOD Single : A 106 ASN : amide:sc= 0.531 K(o=0.53,f=-6!) USER MOD Single : A 107 HIS : no HD1:sc= 0.0284 K(o=0.028,f=-1.2) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 158:sc= -0.0189 (180deg=-0.275) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 167:sc= -2.3 (180deg=-2.73) USER MOD Single : A 130 SER OG : rot 148:sc= -1.59 USER MOD Single : A 131 CYS SG : rot -179:sc= -1.73 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 53:sc= 0.395 USER MOD Single : A 138 HIS : no HE2:sc= -0.03 K(o=-0.03,f=-1.4) USER MOD Single : A 141 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.1) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -7.775 7.878 6.593 1.00 0.00 N ATOM 2 CA LEU A 28 -9.092 7.721 5.932 1.00 0.00 C ATOM 3 C LEU A 28 -9.065 7.563 4.389 1.00 0.00 C ATOM 4 O LEU A 28 -10.083 7.676 3.690 1.00 0.00 O ATOM 5 CB LEU A 28 -9.983 8.894 6.389 1.00 0.00 C ATOM 6 CG LEU A 28 -9.366 10.259 6.078 1.00 0.00 C ATOM 7 CD1 LEU A 28 -9.864 10.793 4.733 1.00 0.00 C ATOM 8 CD2 LEU A 28 -9.723 11.253 7.171 1.00 0.00 C ATOM 0 HA LEU A 28 -9.504 6.763 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.954 8.819 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.159 8.815 7.462 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.284 10.135 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.410 11.764 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.589 10.097 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.948 10.899 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.279 12.222 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.807 11.355 7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.339 10.896 8.127 1.00 0.00 H new ATOM 9 N TYR A 29 -7.923 7.091 3.901 1.00 0.00 N ATOM 10 CA TYR A 29 -7.619 6.978 2.457 1.00 0.00 C ATOM 11 C TYR A 29 -8.111 5.664 1.817 1.00 0.00 C ATOM 12 O TYR A 29 -7.661 5.283 0.745 1.00 0.00 O ATOM 13 CB TYR A 29 -6.093 7.084 2.391 1.00 0.00 C ATOM 14 CG TYR A 29 -5.585 7.546 1.015 1.00 0.00 C ATOM 15 CD1 TYR A 29 -5.667 8.920 0.702 1.00 0.00 C ATOM 16 CD2 TYR A 29 -4.877 6.632 0.212 1.00 0.00 C ATOM 17 CE1 TYR A 29 -4.989 9.390 -0.444 1.00 0.00 C ATOM 18 CE2 TYR A 29 -4.201 7.104 -0.925 1.00 0.00 C ATOM 19 CZ TYR A 29 -4.256 8.482 -1.231 1.00 0.00 C ATOM 20 OH TYR A 29 -3.488 8.945 -2.247 1.00 0.00 O ATOM 0 H TYR A 29 -7.162 6.768 4.498 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.136 7.752 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.749 7.783 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.656 6.114 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.235 9.596 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.854 5.583 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.032 10.435 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.648 6.424 -1.556 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.167 9.845 -2.030 1.00 0.00 H new ATOM 21 N CYS A 30 -9.160 5.083 2.393 1.00 0.00 N ATOM 22 CA CYS A 30 -9.597 3.707 2.109 1.00 0.00 C ATOM 23 C CYS A 30 -10.985 3.370 2.663 1.00 0.00 C ATOM 24 O CYS A 30 -11.296 3.740 3.796 1.00 0.00 O ATOM 25 CB CYS A 30 -8.631 2.698 2.756 1.00 0.00 C ATOM 26 SG CYS A 30 -8.225 3.152 4.483 1.00 0.00 S ATOM 0 H CYS A 30 -9.744 5.557 3.082 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.618 3.640 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.078 1.704 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.714 2.646 2.169 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.354 4.117 4.485 1.00 0.00 H new ATOM 27 N SER A 31 -11.666 2.485 1.951 1.00 0.00 N ATOM 28 CA SER A 31 -12.867 1.795 2.466 1.00 0.00 C ATOM 29 C SER A 31 -12.451 0.519 3.221 1.00 0.00 C ATOM 30 O SER A 31 -12.401 -0.593 2.688 1.00 0.00 O ATOM 31 CB SER A 31 -13.861 1.498 1.341 1.00 0.00 C ATOM 32 OG SER A 31 -13.221 0.739 0.314 1.00 0.00 O ATOM 0 H SER A 31 -11.412 2.217 1.000 1.00 0.00 H new ATOM 0 HA SER A 31 -13.380 2.453 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.715 0.946 1.735 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.247 2.431 0.929 1.00 0.00 H new ATOM 0 HG SER A 31 -13.237 1.245 -0.525 1.00 0.00 H new ATOM 33 N ASN A 32 -11.761 0.847 4.303 1.00 0.00 N ATOM 34 CA ASN A 32 -11.205 -0.043 5.337 1.00 0.00 C ATOM 35 C ASN A 32 -11.771 0.404 6.703 1.00 0.00 C ATOM 36 O ASN A 32 -12.743 1.150 6.747 1.00 0.00 O ATOM 37 CB ASN A 32 -9.706 0.226 5.158 1.00 0.00 C ATOM 38 CG ASN A 32 -8.745 -0.259 6.236 1.00 0.00 C ATOM 39 OD1 ASN A 32 -7.994 0.487 6.849 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.799 -1.535 6.508 1.00 0.00 N ATOM 0 H ASN A 32 -11.552 1.824 4.507 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.437 -1.106 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.399 -0.224 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.573 1.303 5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.209 -1.925 7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.432 -2.141 5.986 1.00 0.00 H new ATOM 41 N GLY A 33 -11.195 -0.111 7.794 1.00 0.00 N ATOM 42 CA GLY A 33 -11.385 0.451 9.161 1.00 0.00 C ATOM 43 C GLY A 33 -11.046 1.951 9.080 1.00 0.00 C ATOM 44 O GLY A 33 -11.800 2.803 9.559 1.00 0.00 O ATOM 0 H GLY A 33 -10.583 -0.927 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.411 0.305 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.738 -0.053 9.879 1.00 0.00 H new ATOM 45 N GLY A 34 -9.887 2.204 8.487 1.00 0.00 N ATOM 46 CA GLY A 34 -9.611 3.479 7.806 1.00 0.00 C ATOM 47 C GLY A 34 -8.349 4.174 8.319 1.00 0.00 C ATOM 48 O GLY A 34 -8.405 4.989 9.225 1.00 0.00 O ATOM 0 H GLY A 34 -9.112 1.542 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.509 3.298 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.464 4.145 7.936 1.00 0.00 H new ATOM 49 N HIS A 35 -7.258 3.856 7.646 1.00 0.00 N ATOM 50 CA HIS A 35 -5.927 4.384 8.001 1.00 0.00 C ATOM 51 C HIS A 35 -5.305 5.133 6.784 1.00 0.00 C ATOM 52 O HIS A 35 -6.023 5.602 5.901 1.00 0.00 O ATOM 53 CB HIS A 35 -5.038 3.212 8.454 1.00 0.00 C ATOM 54 CG HIS A 35 -5.684 2.256 9.441 1.00 0.00 C ATOM 55 ND1 HIS A 35 -6.401 1.190 9.101 1.00 0.00 N ATOM 56 CD2 HIS A 35 -5.816 2.430 10.747 1.00 0.00 C ATOM 57 CE1 HIS A 35 -7.009 0.725 10.181 1.00 0.00 C ATOM 58 NE2 HIS A 35 -6.644 1.492 11.197 1.00 0.00 N ATOM 0 H HIS A 35 -7.255 3.230 6.841 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.011 5.101 8.818 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.731 2.648 7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.132 3.617 8.905 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.471 0.795 8.163 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.337 3.196 11.340 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.678 -0.122 10.225 1.00 0.00 H new ATOM 59 N PHE A 36 -3.975 5.102 6.717 1.00 0.00 N ATOM 60 CA PHE A 36 -3.192 5.720 5.626 1.00 0.00 C ATOM 61 C PHE A 36 -2.033 4.808 5.244 1.00 0.00 C ATOM 62 O PHE A 36 -1.600 3.961 6.039 1.00 0.00 O ATOM 63 CB PHE A 36 -2.619 7.066 6.074 1.00 0.00 C ATOM 64 CG PHE A 36 -3.498 8.243 5.635 1.00 0.00 C ATOM 65 CD1 PHE A 36 -4.544 8.658 6.490 1.00 0.00 C ATOM 66 CD2 PHE A 36 -3.129 8.997 4.497 1.00 0.00 C ATOM 67 CE1 PHE A 36 -5.240 9.855 6.203 1.00 0.00 C ATOM 68 CE2 PHE A 36 -3.825 10.194 4.211 1.00 0.00 C ATOM 69 CZ PHE A 36 -4.871 10.609 5.066 1.00 0.00 C ATOM 0 H PHE A 36 -3.396 4.645 7.422 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.854 5.870 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.520 7.074 7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.618 7.188 5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.809 8.067 7.354 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.327 8.663 3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.043 10.189 6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.560 10.786 3.347 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.401 11.524 4.845 1.00 0.00 H new ATOM 70 N LEU A 37 -1.466 5.109 4.079 1.00 0.00 N ATOM 71 CA LEU A 37 -0.308 4.375 3.534 1.00 0.00 C ATOM 72 C LEU A 37 1.004 4.899 4.136 1.00 0.00 C ATOM 73 O LEU A 37 1.852 5.489 3.480 1.00 0.00 O ATOM 74 CB LEU A 37 -0.301 4.442 2.003 1.00 0.00 C ATOM 75 CG LEU A 37 -1.293 3.466 1.359 1.00 0.00 C ATOM 76 CD1 LEU A 37 -2.731 3.990 1.405 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.889 3.244 -0.095 1.00 0.00 C ATOM 0 H LEU A 37 -1.790 5.868 3.479 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.396 3.326 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.541 5.457 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.703 4.224 1.639 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.262 2.533 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.397 3.265 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.030 4.142 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.791 4.937 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.587 2.551 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.908 4.195 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.117 2.827 -0.133 1.00 0.00 H new ATOM 78 N ARG A 38 1.079 4.692 5.451 1.00 0.00 N ATOM 79 CA ARG A 38 2.239 5.141 6.234 1.00 0.00 C ATOM 80 C ARG A 38 3.421 4.202 6.044 1.00 0.00 C ATOM 81 O ARG A 38 3.400 3.017 6.386 1.00 0.00 O ATOM 82 CB ARG A 38 1.898 5.390 7.712 1.00 0.00 C ATOM 83 CG ARG A 38 3.080 6.028 8.456 1.00 0.00 C ATOM 84 CD ARG A 38 2.794 6.606 9.841 1.00 0.00 C ATOM 85 NE ARG A 38 2.334 5.530 10.729 1.00 0.00 N ATOM 86 CZ ARG A 38 1.952 5.637 12.006 1.00 0.00 C ATOM 87 NH1 ARG A 38 2.093 6.764 12.696 1.00 0.00 N ATOM 88 NH2 ARG A 38 1.580 4.574 12.689 1.00 0.00 N ATOM 0 H ARG A 38 0.358 4.220 5.997 1.00 0.00 H new ATOM 0 HA ARG A 38 2.539 6.114 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.027 6.041 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.630 4.448 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.863 5.276 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.483 6.826 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.693 7.069 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.036 7.386 9.773 1.00 0.00 H new ATOM 0 HE ARG A 38 2.302 4.594 10.325 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.505 7.585 12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.790 6.808 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.581 3.656 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.291 4.669 13.663 1.00 0.00 H new ATOM 89 N ILE A 39 4.424 4.820 5.452 1.00 0.00 N ATOM 90 CA ILE A 39 5.732 4.190 5.188 1.00 0.00 C ATOM 91 C ILE A 39 6.669 4.780 6.238 1.00 0.00 C ATOM 92 O ILE A 39 7.213 5.873 6.107 1.00 0.00 O ATOM 93 CB ILE A 39 6.174 4.522 3.742 1.00 0.00 C ATOM 94 CG1 ILE A 39 5.038 4.333 2.723 1.00 0.00 C ATOM 95 CG2 ILE A 39 7.311 3.576 3.375 1.00 0.00 C ATOM 96 CD1 ILE A 39 5.164 5.195 1.473 1.00 0.00 C ATOM 0 H ILE A 39 4.367 5.787 5.131 1.00 0.00 H new ATOM 0 HA ILE A 39 5.718 3.102 5.259 1.00 0.00 H new ATOM 0 HB ILE A 39 6.478 5.568 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.004 3.285 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.089 4.557 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.645 3.786 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.141 3.719 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.961 2.546 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.322 4.999 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.165 6.248 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.095 4.956 0.959 1.00 0.00 H new ATOM 97 N LEU A 40 6.655 4.042 7.346 1.00 0.00 N ATOM 98 CA LEU A 40 7.297 4.454 8.605 1.00 0.00 C ATOM 99 C LEU A 40 8.816 4.641 8.446 1.00 0.00 C ATOM 100 O LEU A 40 9.450 3.757 7.861 1.00 0.00 O ATOM 101 CB LEU A 40 7.101 3.412 9.723 1.00 0.00 C ATOM 102 CG LEU A 40 5.765 3.376 10.465 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.580 4.698 11.209 1.00 0.00 C ATOM 104 CD2 LEU A 40 4.592 3.052 9.563 1.00 0.00 C ATOM 0 H LEU A 40 6.196 3.133 7.402 1.00 0.00 H new ATOM 0 HA LEU A 40 6.818 5.397 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.265 2.426 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.886 3.569 10.463 1.00 0.00 H new ATOM 0 HG LEU A 40 5.791 2.558 11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.630 4.685 11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.394 4.832 11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.584 5.521 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.674 3.042 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.515 3.808 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.743 2.073 9.108 1.00 0.00 H new ATOM 105 N PRO A 41 9.392 5.564 9.243 1.00 0.00 N ATOM 106 CA PRO A 41 10.863 5.733 9.337 1.00 0.00 C ATOM 107 C PRO A 41 11.570 4.441 9.788 1.00 0.00 C ATOM 108 O PRO A 41 12.647 4.114 9.300 1.00 0.00 O ATOM 109 CB PRO A 41 11.054 6.880 10.334 1.00 0.00 C ATOM 110 CG PRO A 41 9.794 6.836 11.203 1.00 0.00 C ATOM 111 CD PRO A 41 8.695 6.409 10.225 1.00 0.00 C ATOM 0 HA PRO A 41 11.311 5.957 8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.955 6.742 10.932 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.153 7.838 9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.898 6.126 12.024 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.580 7.808 11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.903 5.859 10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.229 7.272 9.748 1.00 0.00 H new ATOM 112 N ASP A 42 10.842 3.611 10.534 1.00 0.00 N ATOM 113 CA ASP A 42 11.272 2.290 11.056 1.00 0.00 C ATOM 114 C ASP A 42 11.216 1.147 10.026 1.00 0.00 C ATOM 115 O ASP A 42 10.979 -0.012 10.388 1.00 0.00 O ATOM 116 CB ASP A 42 10.345 1.990 12.233 1.00 0.00 C ATOM 117 CG ASP A 42 10.611 2.921 13.408 1.00 0.00 C ATOM 118 OD1 ASP A 42 9.956 3.989 13.383 1.00 0.00 O ATOM 119 OD2 ASP A 42 11.464 2.573 14.255 1.00 0.00 O ATOM 0 H ASP A 42 9.888 3.842 10.811 1.00 0.00 H new ATOM 0 HA ASP A 42 12.323 2.345 11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.307 2.092 11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.481 0.956 12.549 1.00 0.00 H new ATOM 120 N GLY A 43 11.285 1.509 8.755 1.00 0.00 N ATOM 121 CA GLY A 43 11.273 0.587 7.595 1.00 0.00 C ATOM 122 C GLY A 43 10.025 -0.303 7.465 1.00 0.00 C ATOM 123 O GLY A 43 10.091 -1.316 6.776 1.00 0.00 O ATOM 0 H GLY A 43 11.354 2.488 8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.373 1.177 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.151 -0.056 7.656 1.00 0.00 H new ATOM 124 N THR A 44 8.858 0.200 7.870 1.00 0.00 N ATOM 125 CA THR A 44 7.653 -0.659 7.832 1.00 0.00 C ATOM 126 C THR A 44 6.439 0.063 7.234 1.00 0.00 C ATOM 127 O THR A 44 6.367 1.285 7.299 1.00 0.00 O ATOM 128 CB THR A 44 7.325 -1.283 9.207 1.00 0.00 C ATOM 129 OG1 THR A 44 6.266 -2.216 9.010 1.00 0.00 O ATOM 130 CG2 THR A 44 6.971 -0.279 10.309 1.00 0.00 C ATOM 0 H THR A 44 8.713 1.149 8.214 1.00 0.00 H new ATOM 0 HA THR A 44 7.895 -1.484 7.162 1.00 0.00 H new ATOM 0 HB THR A 44 8.231 -1.764 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.426 -1.831 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.757 -0.814 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.810 0.398 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.093 0.294 10.011 1.00 0.00 H new ATOM 131 N VAL A 45 5.547 -0.696 6.601 1.00 0.00 N ATOM 132 CA VAL A 45 4.290 -0.090 6.133 1.00 0.00 C ATOM 133 C VAL A 45 3.144 -0.555 7.015 1.00 0.00 C ATOM 134 O VAL A 45 2.693 -1.702 7.006 1.00 0.00 O ATOM 135 CB VAL A 45 4.048 -0.258 4.625 1.00 0.00 C ATOM 136 CG1 VAL A 45 2.743 0.402 4.192 1.00 0.00 C ATOM 137 CG2 VAL A 45 5.171 0.425 3.845 1.00 0.00 C ATOM 0 H VAL A 45 5.656 -1.691 6.403 1.00 0.00 H new ATOM 0 HA VAL A 45 4.366 0.992 6.241 1.00 0.00 H new ATOM 0 HB VAL A 45 4.008 -1.328 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.604 0.264 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.910 -0.053 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.781 1.468 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.997 0.304 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.192 1.487 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.126 -0.028 4.110 1.00 0.00 H new ATOM 138 N ASP A 46 2.840 0.376 7.903 1.00 0.00 N ATOM 139 CA ASP A 46 1.759 0.238 8.892 1.00 0.00 C ATOM 140 C ASP A 46 0.828 1.444 8.854 1.00 0.00 C ATOM 141 O ASP A 46 1.274 2.594 8.828 1.00 0.00 O ATOM 142 CB ASP A 46 2.304 0.098 10.321 1.00 0.00 C ATOM 143 CG ASP A 46 3.047 -1.204 10.622 1.00 0.00 C ATOM 144 OD1 ASP A 46 3.234 -2.037 9.709 1.00 0.00 O ATOM 145 OD2 ASP A 46 3.490 -1.345 11.786 1.00 0.00 O ATOM 0 H ASP A 46 3.337 1.264 7.967 1.00 0.00 H new ATOM 0 HA ASP A 46 1.213 -0.667 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.977 0.933 10.517 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.471 0.189 11.018 1.00 0.00 H new ATOM 146 N GLY A 47 -0.448 1.111 8.754 1.00 0.00 N ATOM 147 CA GLY A 47 -1.576 2.043 8.866 1.00 0.00 C ATOM 148 C GLY A 47 -1.661 2.572 10.299 1.00 0.00 C ATOM 149 O GLY A 47 -0.928 2.142 11.187 1.00 0.00 O ATOM 0 H GLY A 47 -0.746 0.150 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.448 2.871 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.505 1.540 8.597 1.00 0.00 H new ATOM 150 N THR A 48 -2.667 3.391 10.529 1.00 0.00 N ATOM 151 CA THR A 48 -2.578 4.352 11.636 1.00 0.00 C ATOM 152 C THR A 48 -3.892 4.992 12.072 1.00 0.00 C ATOM 153 O THR A 48 -4.675 5.478 11.249 1.00 0.00 O ATOM 154 CB THR A 48 -1.546 5.420 11.214 1.00 0.00 C ATOM 155 OG1 THR A 48 -1.320 6.317 12.287 1.00 0.00 O ATOM 156 CG2 THR A 48 -1.895 6.129 9.908 1.00 0.00 C ATOM 0 H THR A 48 -3.533 3.421 9.991 1.00 0.00 H new ATOM 0 HA THR A 48 -2.273 3.803 12.527 1.00 0.00 H new ATOM 0 HB THR A 48 -0.611 4.905 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.585 5.984 12.843 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.125 6.865 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.953 5.398 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.857 6.631 10.012 1.00 0.00 H new ATOM 157 N ARG A 49 -4.204 4.703 13.328 1.00 0.00 N ATOM 158 CA ARG A 49 -5.273 5.420 14.062 1.00 0.00 C ATOM 159 C ARG A 49 -4.756 6.714 14.727 1.00 0.00 C ATOM 160 O ARG A 49 -5.517 7.643 14.982 1.00 0.00 O ATOM 161 CB ARG A 49 -5.973 4.469 15.052 1.00 0.00 C ATOM 162 CG ARG A 49 -5.197 4.001 16.304 1.00 0.00 C ATOM 163 CD ARG A 49 -4.047 3.021 16.061 1.00 0.00 C ATOM 164 NE ARG A 49 -2.794 3.800 16.073 1.00 0.00 N ATOM 165 CZ ARG A 49 -1.782 3.700 15.210 1.00 0.00 C ATOM 166 NH1 ARG A 49 -1.517 2.612 14.510 1.00 0.00 N ATOM 167 NH2 ARG A 49 -0.825 4.610 15.282 1.00 0.00 N ATOM 0 H ARG A 49 -3.739 3.977 13.873 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.023 5.748 13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.885 4.959 15.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.276 3.580 14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.796 4.881 16.807 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.904 3.536 16.991 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.028 2.252 16.833 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.173 2.511 15.106 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.691 4.487 16.820 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.103 1.783 14.614 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.727 2.600 13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.879 5.352 15.979 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.033 4.569 14.640 1.00 0.00 H new ATOM 168 N ASP A 50 -3.450 6.752 14.970 1.00 0.00 N ATOM 169 CA ASP A 50 -2.740 7.921 15.518 1.00 0.00 C ATOM 170 C ASP A 50 -1.805 8.464 14.423 1.00 0.00 C ATOM 171 O ASP A 50 -0.583 8.291 14.440 1.00 0.00 O ATOM 172 CB ASP A 50 -1.970 7.497 16.767 1.00 0.00 C ATOM 173 CG ASP A 50 -2.860 7.127 17.955 1.00 0.00 C ATOM 174 OD1 ASP A 50 -3.141 8.036 18.770 1.00 0.00 O ATOM 175 OD2 ASP A 50 -3.136 5.916 18.090 1.00 0.00 O ATOM 0 H ASP A 50 -2.835 5.958 14.790 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.432 8.710 15.810 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.340 6.643 16.519 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.305 8.308 17.064 1.00 0.00 H new ATOM 176 N ARG A 51 -2.459 9.086 13.448 1.00 0.00 N ATOM 177 CA ARG A 51 -1.849 9.517 12.170 1.00 0.00 C ATOM 178 C ARG A 51 -0.799 10.611 12.294 1.00 0.00 C ATOM 179 O ARG A 51 -1.058 11.797 12.484 1.00 0.00 O ATOM 180 CB ARG A 51 -2.963 9.937 11.215 1.00 0.00 C ATOM 181 CG ARG A 51 -3.937 8.788 10.958 1.00 0.00 C ATOM 182 CD ARG A 51 -5.108 9.325 10.145 1.00 0.00 C ATOM 183 NE ARG A 51 -6.208 8.353 10.133 1.00 0.00 N ATOM 184 CZ ARG A 51 -7.487 8.701 10.022 1.00 0.00 C ATOM 185 NH1 ARG A 51 -7.836 9.981 9.989 1.00 0.00 N ATOM 186 NH2 ARG A 51 -8.458 7.802 9.942 1.00 0.00 N ATOM 0 H ARG A 51 -3.451 9.315 13.514 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.298 8.660 11.781 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.502 10.787 11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.530 10.268 10.271 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.439 7.982 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.289 8.371 11.901 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.452 10.268 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.786 9.533 9.125 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.980 7.362 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.121 10.706 10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.819 10.240 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.235 6.807 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.428 8.105 9.858 1.00 0.00 H new ATOM 187 N SER A 52 0.417 10.080 12.352 1.00 0.00 N ATOM 188 CA SER A 52 1.670 10.846 12.346 1.00 0.00 C ATOM 189 C SER A 52 1.950 11.379 10.950 1.00 0.00 C ATOM 190 O SER A 52 2.327 10.699 9.999 1.00 0.00 O ATOM 191 CB SER A 52 2.831 10.036 12.888 1.00 0.00 C ATOM 192 OG SER A 52 4.024 10.795 12.755 1.00 0.00 O ATOM 0 H SER A 52 0.569 9.073 12.406 1.00 0.00 H new ATOM 0 HA SER A 52 1.553 11.697 13.017 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.659 9.785 13.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.920 9.095 12.345 1.00 0.00 H new ATOM 0 HG SER A 52 4.647 10.554 13.472 1.00 0.00 H new ATOM 193 N ASP A 53 1.414 12.595 10.930 1.00 0.00 N ATOM 194 CA ASP A 53 1.339 13.603 9.842 1.00 0.00 C ATOM 195 C ASP A 53 2.476 13.693 8.810 1.00 0.00 C ATOM 196 O ASP A 53 2.366 14.394 7.815 1.00 0.00 O ATOM 197 CB ASP A 53 1.124 14.986 10.480 1.00 0.00 C ATOM 198 CG ASP A 53 2.329 15.438 11.310 1.00 0.00 C ATOM 199 OD1 ASP A 53 2.388 15.032 12.494 1.00 0.00 O ATOM 200 OD2 ASP A 53 3.210 16.092 10.712 1.00 0.00 O ATOM 0 H ASP A 53 0.963 12.955 11.771 1.00 0.00 H new ATOM 0 HA ASP A 53 0.508 13.247 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.930 15.719 9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.239 14.957 11.115 1.00 0.00 H new ATOM 201 N GLN A 54 3.565 13.001 9.105 1.00 0.00 N ATOM 202 CA GLN A 54 4.769 13.002 8.274 1.00 0.00 C ATOM 203 C GLN A 54 4.733 11.780 7.319 1.00 0.00 C ATOM 204 O GLN A 54 4.194 11.885 6.221 1.00 0.00 O ATOM 205 CB GLN A 54 5.978 13.024 9.225 1.00 0.00 C ATOM 206 CG GLN A 54 7.255 13.515 8.544 1.00 0.00 C ATOM 207 CD GLN A 54 8.514 13.244 9.359 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.539 13.206 10.585 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.579 12.895 8.666 1.00 0.00 N ATOM 0 H GLN A 54 3.643 12.415 9.936 1.00 0.00 H new ATOM 0 HA GLN A 54 4.837 13.878 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.754 13.668 10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.144 12.021 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.349 13.032 7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.172 14.586 8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.557 12.927 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.425 12.593 9.149 1.00 0.00 H new ATOM 210 N HIS A 55 4.970 10.596 7.877 1.00 0.00 N ATOM 211 CA HIS A 55 5.183 9.353 7.098 1.00 0.00 C ATOM 212 C HIS A 55 3.937 8.796 6.385 1.00 0.00 C ATOM 213 O HIS A 55 4.041 7.878 5.569 1.00 0.00 O ATOM 214 CB HIS A 55 5.855 8.257 7.959 1.00 0.00 C ATOM 215 CG HIS A 55 6.452 8.773 9.271 1.00 0.00 C ATOM 216 ND1 HIS A 55 5.828 8.716 10.441 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.457 9.645 9.403 1.00 0.00 C ATOM 218 CE1 HIS A 55 6.411 9.569 11.274 1.00 0.00 C ATOM 219 NE2 HIS A 55 7.406 10.153 10.624 1.00 0.00 N ATOM 0 H HIS A 55 5.022 10.458 8.886 1.00 0.00 H new ATOM 0 HA HIS A 55 5.856 9.653 6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.119 7.486 8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.644 7.783 7.375 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.185 9.892 8.644 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.125 9.754 12.299 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.026 10.871 11.000 1.00 0.00 H new ATOM 220 N ILE A 56 2.759 9.295 6.776 1.00 0.00 N ATOM 221 CA ILE A 56 1.459 9.005 6.096 1.00 0.00 C ATOM 222 C ILE A 56 1.344 9.529 4.660 1.00 0.00 C ATOM 223 O ILE A 56 0.503 9.062 3.889 1.00 0.00 O ATOM 224 CB ILE A 56 0.253 9.526 6.910 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.281 11.046 7.103 1.00 0.00 C ATOM 226 CG2 ILE A 56 0.114 8.769 8.234 1.00 0.00 C ATOM 227 CD1 ILE A 56 -1.124 11.650 7.278 1.00 0.00 C ATOM 0 H ILE A 56 2.664 9.918 7.578 1.00 0.00 H new ATOM 0 HA ILE A 56 1.442 7.917 6.040 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.643 9.323 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.886 11.286 7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.766 11.508 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.742 9.156 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.034 7.708 8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.019 8.903 8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.042 12.729 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.724 11.438 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.602 11.212 8.154 1.00 0.00 H new ATOM 228 N GLN A 57 2.160 10.532 4.350 1.00 0.00 N ATOM 229 CA GLN A 57 2.109 11.255 3.062 1.00 0.00 C ATOM 230 C GLN A 57 2.774 10.472 1.930 1.00 0.00 C ATOM 231 O GLN A 57 3.982 10.564 1.686 1.00 0.00 O ATOM 232 CB GLN A 57 2.730 12.643 3.217 1.00 0.00 C ATOM 233 CG GLN A 57 1.915 13.583 4.120 1.00 0.00 C ATOM 234 CD GLN A 57 0.519 13.885 3.557 1.00 0.00 C ATOM 235 OE1 GLN A 57 -0.495 13.362 3.985 1.00 0.00 O ATOM 236 NE2 GLN A 57 0.451 14.787 2.603 1.00 0.00 N ATOM 0 H GLN A 57 2.883 10.876 4.982 1.00 0.00 H new ATOM 0 HA GLN A 57 1.061 11.367 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.735 12.539 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.833 13.098 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.814 13.134 5.108 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.460 14.518 4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.304 15.221 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.455 15.053 2.216 1.00 0.00 H new ATOM 237 N LEU A 58 1.985 9.564 1.376 1.00 0.00 N ATOM 238 CA LEU A 58 2.376 8.799 0.181 1.00 0.00 C ATOM 239 C LEU A 58 2.394 9.673 -1.087 1.00 0.00 C ATOM 240 O LEU A 58 1.907 10.795 -1.106 1.00 0.00 O ATOM 241 CB LEU A 58 1.444 7.592 -0.012 1.00 0.00 C ATOM 242 CG LEU A 58 0.051 8.010 -0.511 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.311 7.156 -1.729 1.00 0.00 C ATOM 244 CD2 LEU A 58 -0.979 8.016 0.616 1.00 0.00 C ATOM 0 H LEU A 58 1.058 9.331 1.733 1.00 0.00 H new ATOM 0 HA LEU A 58 3.393 8.442 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.891 6.900 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.345 7.057 0.932 1.00 0.00 H new ATOM 0 HG LEU A 58 0.057 9.047 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.298 7.442 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.427 7.314 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.320 6.104 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.949 8.317 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.056 7.017 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.668 8.719 1.389 1.00 0.00 H new ATOM 245 N GLN A 59 3.138 9.168 -2.058 1.00 0.00 N ATOM 246 CA GLN A 59 3.103 9.652 -3.444 1.00 0.00 C ATOM 247 C GLN A 59 3.437 8.562 -4.461 1.00 0.00 C ATOM 248 O GLN A 59 4.472 7.910 -4.381 1.00 0.00 O ATOM 249 CB GLN A 59 4.119 10.793 -3.587 1.00 0.00 C ATOM 250 CG GLN A 59 3.660 11.931 -4.512 1.00 0.00 C ATOM 251 CD GLN A 59 3.261 11.455 -5.913 1.00 0.00 C ATOM 252 OE1 GLN A 59 2.092 11.301 -6.241 1.00 0.00 O ATOM 253 NE2 GLN A 59 4.232 11.078 -6.706 1.00 0.00 N ATOM 0 H GLN A 59 3.794 8.401 -1.912 1.00 0.00 H new ATOM 0 HA GLN A 59 2.087 9.988 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.328 11.204 -2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.055 10.385 -3.968 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.812 12.441 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.463 12.663 -4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.203 11.211 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.018 10.651 -7.607 1.00 0.00 H new ATOM 254 N LEU A 60 2.638 8.534 -5.516 1.00 0.00 N ATOM 255 CA LEU A 60 2.708 7.432 -6.462 1.00 0.00 C ATOM 256 C LEU A 60 3.038 7.832 -7.910 1.00 0.00 C ATOM 257 O LEU A 60 2.492 8.779 -8.466 1.00 0.00 O ATOM 258 CB LEU A 60 1.479 6.547 -6.346 1.00 0.00 C ATOM 259 CG LEU A 60 0.146 7.233 -6.644 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.771 6.052 -6.850 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.405 8.141 -5.534 1.00 0.00 C ATOM 0 H LEU A 60 1.945 9.249 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 60 3.578 6.843 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.594 5.703 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.440 6.139 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 60 0.247 7.921 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.777 6.407 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.405 5.448 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.794 5.447 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.353 8.574 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.562 7.555 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.308 8.940 -5.330 1.00 0.00 H new ATOM 262 N SER A 61 4.013 7.121 -8.447 1.00 0.00 N ATOM 263 CA SER A 61 4.532 7.365 -9.807 1.00 0.00 C ATOM 264 C SER A 61 4.516 6.128 -10.697 1.00 0.00 C ATOM 265 O SER A 61 5.144 5.103 -10.441 1.00 0.00 O ATOM 266 CB SER A 61 5.942 7.934 -9.800 1.00 0.00 C ATOM 267 OG SER A 61 6.408 8.106 -11.146 1.00 0.00 O ATOM 0 H SER A 61 4.477 6.353 -7.962 1.00 0.00 H new ATOM 0 HA SER A 61 3.843 8.100 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.955 8.890 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.610 7.265 -9.258 1.00 0.00 H new ATOM 0 HG SER A 61 7.316 8.474 -11.133 1.00 0.00 H new ATOM 268 N ALA A 62 3.687 6.270 -11.704 1.00 0.00 N ATOM 269 CA ALA A 62 3.502 5.247 -12.758 1.00 0.00 C ATOM 270 C ALA A 62 4.701 5.054 -13.685 1.00 0.00 C ATOM 271 O ALA A 62 5.282 5.987 -14.226 1.00 0.00 O ATOM 272 CB ALA A 62 2.232 5.594 -13.546 1.00 0.00 C ATOM 0 H ALA A 62 3.107 7.099 -11.834 1.00 0.00 H new ATOM 0 HA ALA A 62 3.402 4.283 -12.260 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.076 4.852 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.375 5.596 -12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.342 6.580 -13.997 1.00 0.00 H new ATOM 273 N GLU A 63 5.034 3.781 -13.857 1.00 0.00 N ATOM 274 CA GLU A 63 6.065 3.311 -14.788 1.00 0.00 C ATOM 275 C GLU A 63 5.353 2.416 -15.825 1.00 0.00 C ATOM 276 O GLU A 63 5.455 1.185 -15.833 1.00 0.00 O ATOM 277 CB GLU A 63 7.206 2.602 -14.043 1.00 0.00 C ATOM 278 CG GLU A 63 8.438 2.474 -14.934 1.00 0.00 C ATOM 279 CD GLU A 63 9.631 1.877 -14.195 1.00 0.00 C ATOM 280 OE1 GLU A 63 9.644 0.633 -14.043 1.00 0.00 O ATOM 281 OE2 GLU A 63 10.505 2.658 -13.771 1.00 0.00 O ATOM 0 H GLU A 63 4.586 3.023 -13.342 1.00 0.00 H new ATOM 0 HA GLU A 63 6.550 4.140 -15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.460 3.160 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.878 1.613 -13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.197 1.849 -15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.708 3.457 -15.319 1.00 0.00 H new ATOM 282 N SER A 64 4.491 3.115 -16.552 1.00 0.00 N ATOM 283 CA SER A 64 3.657 2.632 -17.677 1.00 0.00 C ATOM 284 C SER A 64 2.412 1.833 -17.242 1.00 0.00 C ATOM 285 O SER A 64 1.681 2.274 -16.357 1.00 0.00 O ATOM 286 CB SER A 64 4.548 1.962 -18.747 1.00 0.00 C ATOM 287 OG SER A 64 4.917 0.635 -18.397 1.00 0.00 O ATOM 0 H SER A 64 4.335 4.106 -16.369 1.00 0.00 H new ATOM 0 HA SER A 64 3.199 3.496 -18.159 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.018 1.949 -19.699 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.448 2.560 -18.891 1.00 0.00 H new ATOM 0 HG SER A 64 5.043 0.575 -17.427 1.00 0.00 H new ATOM 288 N VAL A 65 2.197 0.666 -17.857 1.00 0.00 N ATOM 289 CA VAL A 65 0.965 -0.141 -17.799 1.00 0.00 C ATOM 290 C VAL A 65 0.549 -0.627 -16.397 1.00 0.00 C ATOM 291 O VAL A 65 0.999 -1.651 -15.882 1.00 0.00 O ATOM 292 CB VAL A 65 1.091 -1.267 -18.851 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.246 -2.235 -18.570 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.223 -2.025 -19.021 1.00 0.00 C ATOM 0 H VAL A 65 2.913 0.232 -18.440 1.00 0.00 H new ATOM 0 HA VAL A 65 0.122 0.505 -18.046 1.00 0.00 H new ATOM 0 HB VAL A 65 1.327 -0.768 -19.791 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.277 -3.000 -19.346 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.188 -1.686 -18.564 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.096 -2.709 -17.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.097 -2.809 -19.768 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.510 -2.473 -18.070 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.001 -1.335 -19.347 1.00 0.00 H new ATOM 295 N GLY A 66 -0.206 0.256 -15.752 1.00 0.00 N ATOM 296 CA GLY A 66 -0.771 0.076 -14.393 1.00 0.00 C ATOM 297 C GLY A 66 0.266 0.286 -13.271 1.00 0.00 C ATOM 298 O GLY A 66 0.005 0.897 -12.250 1.00 0.00 O ATOM 0 H GLY A 66 -0.458 1.154 -16.165 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.595 0.776 -14.253 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.188 -0.928 -14.310 1.00 0.00 H new ATOM 299 N GLU A 67 1.449 -0.227 -13.547 1.00 0.00 N ATOM 300 CA GLU A 67 2.639 -0.257 -12.685 1.00 0.00 C ATOM 301 C GLU A 67 2.970 1.087 -12.042 1.00 0.00 C ATOM 302 O GLU A 67 3.326 2.047 -12.720 1.00 0.00 O ATOM 303 CB GLU A 67 3.831 -0.638 -13.546 1.00 0.00 C ATOM 304 CG GLU A 67 3.658 -1.961 -14.286 1.00 0.00 C ATOM 305 CD GLU A 67 4.757 -2.140 -15.338 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.822 -2.678 -14.955 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.516 -1.724 -16.486 1.00 0.00 O ATOM 0 H GLU A 67 1.628 -0.671 -14.448 1.00 0.00 H new ATOM 0 HA GLU A 67 2.429 -0.967 -11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.010 0.154 -14.273 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.718 -0.698 -12.916 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.689 -2.787 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.680 -1.990 -14.766 1.00 0.00 H new ATOM 308 N VAL A 68 2.918 1.077 -10.719 1.00 0.00 N ATOM 309 CA VAL A 68 3.132 2.290 -9.910 1.00 0.00 C ATOM 310 C VAL A 68 3.941 2.134 -8.620 1.00 0.00 C ATOM 311 O VAL A 68 3.673 1.355 -7.716 1.00 0.00 O ATOM 312 CB VAL A 68 1.830 3.017 -9.717 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.797 2.249 -8.870 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.911 4.362 -9.080 1.00 0.00 C ATOM 0 H VAL A 68 2.728 0.239 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 68 3.808 2.908 -10.501 1.00 0.00 H new ATOM 0 HB VAL A 68 1.523 3.115 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.113 2.843 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.564 1.300 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.208 2.061 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.910 4.785 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.351 4.268 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.531 5.017 -9.691 1.00 0.00 H new ATOM 315 N TYR A 69 4.835 3.109 -8.567 1.00 0.00 N ATOM 316 CA TYR A 69 5.841 3.265 -7.516 1.00 0.00 C ATOM 317 C TYR A 69 5.377 4.192 -6.383 1.00 0.00 C ATOM 318 O TYR A 69 5.223 5.396 -6.592 1.00 0.00 O ATOM 319 CB TYR A 69 7.075 3.937 -8.113 1.00 0.00 C ATOM 320 CG TYR A 69 8.124 3.005 -8.722 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.495 1.789 -8.098 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.657 3.398 -9.970 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.392 0.930 -8.758 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.564 2.544 -10.617 1.00 0.00 C ATOM 325 CZ TYR A 69 9.918 1.328 -10.010 1.00 0.00 C ATOM 326 OH TYR A 69 10.810 0.526 -10.656 1.00 0.00 O ATOM 0 H TYR A 69 4.886 3.840 -9.276 1.00 0.00 H new ATOM 0 HA TYR A 69 6.034 2.268 -7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.746 4.633 -8.885 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.554 4.529 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.095 1.525 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.372 4.338 -10.418 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.674 -0.015 -8.318 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.986 2.819 -11.572 1.00 0.00 H new ATOM 0 HH TYR A 69 11.072 0.944 -11.503 1.00 0.00 H new ATOM 327 N ILE A 70 5.252 3.641 -5.183 1.00 0.00 N ATOM 328 CA ILE A 70 4.704 4.455 -4.088 1.00 0.00 C ATOM 329 C ILE A 70 5.749 4.890 -3.053 1.00 0.00 C ATOM 330 O ILE A 70 5.905 4.348 -1.960 1.00 0.00 O ATOM 331 CB ILE A 70 3.413 3.882 -3.473 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.454 3.478 -4.588 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.747 4.945 -2.581 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.251 2.645 -4.128 1.00 0.00 C ATOM 0 H ILE A 70 5.506 2.683 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 70 4.391 5.384 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 70 3.658 3.008 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.088 4.380 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.007 2.910 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.834 4.536 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.432 5.231 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.503 5.822 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.625 2.404 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.603 1.723 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.669 3.215 -3.404 1.00 0.00 H new ATOM 335 N LYS A 71 6.217 6.079 -3.381 1.00 0.00 N ATOM 336 CA LYS A 71 7.135 6.899 -2.560 1.00 0.00 C ATOM 337 C LYS A 71 6.343 7.567 -1.446 1.00 0.00 C ATOM 338 O LYS A 71 5.127 7.451 -1.319 1.00 0.00 O ATOM 339 CB LYS A 71 7.739 7.904 -3.554 1.00 0.00 C ATOM 340 CG LYS A 71 9.040 8.527 -3.040 1.00 0.00 C ATOM 341 CD LYS A 71 9.528 9.671 -3.928 1.00 0.00 C ATOM 342 CE LYS A 71 8.753 10.962 -3.700 1.00 0.00 C ATOM 343 NZ LYS A 71 9.114 11.532 -2.395 1.00 0.00 N ATOM 0 H LYS A 71 5.967 6.533 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 71 7.923 6.331 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.930 7.402 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.015 8.694 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.887 8.897 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.811 7.759 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.586 9.848 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.438 9.378 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.975 11.676 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.681 10.766 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.822 12.529 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.633 11.003 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.143 11.468 -2.261 1.00 0.00 H new ATOM 344 N SER A 72 7.133 8.080 -0.520 1.00 0.00 N ATOM 345 CA SER A 72 6.639 8.902 0.591 1.00 0.00 C ATOM 346 C SER A 72 7.237 10.302 0.484 1.00 0.00 C ATOM 347 O SER A 72 8.459 10.469 0.540 1.00 0.00 O ATOM 348 CB SER A 72 7.037 8.217 1.895 1.00 0.00 C ATOM 349 OG SER A 72 8.413 7.838 1.916 1.00 0.00 O ATOM 0 H SER A 72 8.144 7.942 -0.510 1.00 0.00 H new ATOM 0 HA SER A 72 5.554 9.003 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.836 8.888 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.418 7.332 2.040 1.00 0.00 H new ATOM 0 HG SER A 72 8.486 6.865 1.829 1.00 0.00 H new ATOM 350 N THR A 73 6.387 11.306 0.314 1.00 0.00 N ATOM 351 CA THR A 73 6.867 12.712 0.199 1.00 0.00 C ATOM 352 C THR A 73 7.633 13.190 1.435 1.00 0.00 C ATOM 353 O THR A 73 8.477 14.073 1.346 1.00 0.00 O ATOM 354 CB THR A 73 5.766 13.728 -0.057 1.00 0.00 C ATOM 355 OG1 THR A 73 4.518 13.248 0.467 1.00 0.00 O ATOM 356 CG2 THR A 73 5.696 14.148 -1.522 1.00 0.00 C ATOM 0 H THR A 73 5.375 11.196 0.251 1.00 0.00 H new ATOM 0 HA THR A 73 7.527 12.667 -0.667 1.00 0.00 H new ATOM 0 HB THR A 73 6.006 14.645 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.816 13.911 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.894 14.875 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.644 14.596 -1.818 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.499 13.274 -2.142 1.00 0.00 H new ATOM 357 N GLU A 74 7.207 12.667 2.582 1.00 0.00 N ATOM 358 CA GLU A 74 7.773 13.027 3.898 1.00 0.00 C ATOM 359 C GLU A 74 8.829 12.086 4.511 1.00 0.00 C ATOM 360 O GLU A 74 9.437 12.454 5.520 1.00 0.00 O ATOM 361 CB GLU A 74 6.587 13.262 4.838 1.00 0.00 C ATOM 362 CG GLU A 74 6.262 14.762 4.999 1.00 0.00 C ATOM 363 CD GLU A 74 5.791 15.510 3.739 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.875 15.017 3.061 1.00 0.00 O ATOM 365 OE2 GLU A 74 6.317 16.628 3.529 1.00 0.00 O ATOM 0 H GLU A 74 6.457 11.978 2.635 1.00 0.00 H new ATOM 0 HA GLU A 74 8.376 13.922 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.711 12.741 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.809 12.833 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.490 14.862 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.152 15.263 5.379 1.00 0.00 H new ATOM 366 N THR A 75 8.931 10.853 4.010 1.00 0.00 N ATOM 367 CA THR A 75 9.973 9.892 4.448 1.00 0.00 C ATOM 368 C THR A 75 10.898 9.298 3.378 1.00 0.00 C ATOM 369 O THR A 75 11.789 8.512 3.713 1.00 0.00 O ATOM 370 CB THR A 75 9.396 8.729 5.269 1.00 0.00 C ATOM 371 OG1 THR A 75 8.002 8.530 5.001 1.00 0.00 O ATOM 372 CG2 THR A 75 9.703 8.907 6.752 1.00 0.00 C ATOM 0 H THR A 75 8.304 10.485 3.295 1.00 0.00 H new ATOM 0 HA THR A 75 10.600 10.547 5.053 1.00 0.00 H new ATOM 0 HB THR A 75 9.891 7.810 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.725 7.654 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.284 8.071 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.783 8.938 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.262 9.839 7.106 1.00 0.00 H new ATOM 373 N GLY A 76 10.610 9.567 2.104 1.00 0.00 N ATOM 374 CA GLY A 76 11.366 9.084 0.922 1.00 0.00 C ATOM 375 C GLY A 76 11.137 7.611 0.582 1.00 0.00 C ATOM 376 O GLY A 76 10.749 7.278 -0.540 1.00 0.00 O ATOM 0 H GLY A 76 9.814 10.150 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.092 9.690 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.430 9.242 1.097 1.00 0.00 H new ATOM 377 N GLN A 77 11.369 6.756 1.565 1.00 0.00 N ATOM 378 CA GLN A 77 11.227 5.282 1.463 1.00 0.00 C ATOM 379 C GLN A 77 9.879 4.852 0.863 1.00 0.00 C ATOM 380 O GLN A 77 8.826 5.439 1.138 1.00 0.00 O ATOM 381 CB GLN A 77 11.506 4.619 2.808 1.00 0.00 C ATOM 382 CG GLN A 77 10.584 5.030 3.957 1.00 0.00 C ATOM 383 CD GLN A 77 11.274 4.845 5.315 1.00 0.00 C ATOM 384 OE1 GLN A 77 11.425 5.784 6.088 1.00 0.00 O ATOM 385 NE2 GLN A 77 11.815 3.673 5.587 1.00 0.00 N ATOM 0 H GLN A 77 11.671 7.061 2.490 1.00 0.00 H new ATOM 0 HA GLN A 77 11.981 4.931 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.437 3.539 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.534 4.841 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.289 6.072 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.672 4.435 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.689 2.892 4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.359 3.548 6.441 1.00 0.00 H new ATOM 386 N TYR A 78 9.924 3.701 0.209 1.00 0.00 N ATOM 387 CA TYR A 78 8.858 3.275 -0.704 1.00 0.00 C ATOM 388 C TYR A 78 7.962 2.204 -0.082 1.00 0.00 C ATOM 389 O TYR A 78 8.421 1.348 0.680 1.00 0.00 O ATOM 390 CB TYR A 78 9.516 2.715 -1.971 1.00 0.00 C ATOM 391 CG TYR A 78 10.236 3.758 -2.818 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.497 4.242 -2.407 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.590 4.290 -3.960 1.00 0.00 C ATOM 394 CE1 TYR A 78 12.107 5.289 -3.105 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.196 5.341 -4.672 1.00 0.00 C ATOM 396 CZ TYR A 78 11.438 5.828 -4.223 1.00 0.00 C ATOM 397 OH TYR A 78 12.040 6.843 -4.904 1.00 0.00 O ATOM 0 H TYR A 78 10.692 3.035 0.291 1.00 0.00 H new ATOM 0 HA TYR A 78 8.227 4.134 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.229 1.942 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.751 2.234 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.991 3.803 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.639 3.892 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.067 5.675 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.719 5.765 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 78 11.470 7.118 -5.652 1.00 0.00 H new ATOM 398 N LEU A 79 6.678 2.315 -0.396 1.00 0.00 N ATOM 399 CA LEU A 79 5.662 1.309 -0.086 1.00 0.00 C ATOM 400 C LEU A 79 5.994 0.095 -0.956 1.00 0.00 C ATOM 401 O LEU A 79 6.057 0.189 -2.180 1.00 0.00 O ATOM 402 CB LEU A 79 4.281 1.851 -0.455 1.00 0.00 C ATOM 403 CG LEU A 79 3.152 1.121 0.294 1.00 0.00 C ATOM 404 CD1 LEU A 79 2.557 2.102 1.290 1.00 0.00 C ATOM 405 CD2 LEU A 79 2.043 0.767 -0.688 1.00 0.00 C ATOM 0 H LEU A 79 6.301 3.127 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 79 5.654 1.051 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.237 2.916 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.127 1.749 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 79 3.542 0.224 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.751 1.617 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.329 2.426 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.163 2.968 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.242 0.250 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.651 1.679 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.441 0.119 -1.468 1.00 0.00 H new ATOM 406 N ALA A 80 6.586 -0.848 -0.255 1.00 0.00 N ATOM 407 CA ALA A 80 7.133 -2.089 -0.826 1.00 0.00 C ATOM 408 C ALA A 80 6.494 -3.309 -0.173 1.00 0.00 C ATOM 409 O ALA A 80 5.930 -3.211 0.916 1.00 0.00 O ATOM 410 CB ALA A 80 8.632 -2.094 -0.538 1.00 0.00 C ATOM 0 H ALA A 80 6.710 -0.784 0.755 1.00 0.00 H new ATOM 0 HA ALA A 80 6.930 -2.131 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.078 -3.001 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.094 -1.222 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.796 -2.062 0.539 1.00 0.00 H new ATOM 411 N MET A 81 6.613 -4.456 -0.826 1.00 0.00 N ATOM 412 CA MET A 81 6.145 -5.730 -0.275 1.00 0.00 C ATOM 413 C MET A 81 7.226 -6.817 -0.378 1.00 0.00 C ATOM 414 O MET A 81 8.098 -6.762 -1.246 1.00 0.00 O ATOM 415 CB MET A 81 4.839 -6.158 -0.948 1.00 0.00 C ATOM 416 CG MET A 81 4.186 -7.324 -0.196 1.00 0.00 C ATOM 417 SD MET A 81 2.434 -7.048 0.239 1.00 0.00 S ATOM 418 CE MET A 81 1.721 -6.956 -1.384 1.00 0.00 C ATOM 0 H MET A 81 7.035 -4.535 -1.751 1.00 0.00 H new ATOM 0 HA MET A 81 5.941 -5.589 0.786 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.151 -5.313 -0.983 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.037 -6.452 -1.979 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.259 -8.223 -0.808 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.750 -7.514 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.637 -7.039 -1.310 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.982 -6.002 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.106 -7.771 -1.997 1.00 0.00 H new ATOM 419 N ASP A 82 7.235 -7.668 0.630 1.00 0.00 N ATOM 420 CA ASP A 82 8.141 -8.827 0.678 1.00 0.00 C ATOM 421 C ASP A 82 7.356 -10.136 0.773 1.00 0.00 C ATOM 422 O ASP A 82 6.332 -10.240 1.442 1.00 0.00 O ATOM 423 CB ASP A 82 9.129 -8.629 1.820 1.00 0.00 C ATOM 424 CG ASP A 82 10.493 -9.280 1.526 1.00 0.00 C ATOM 425 OD1 ASP A 82 11.286 -8.647 0.806 1.00 0.00 O ATOM 426 OD2 ASP A 82 10.626 -10.447 1.946 1.00 0.00 O ATOM 0 H ASP A 82 6.622 -7.587 1.441 1.00 0.00 H new ATOM 0 HA ASP A 82 8.711 -8.900 -0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.268 -7.563 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.715 -9.053 2.735 1.00 0.00 H new ATOM 427 N THR A 83 8.121 -11.150 0.391 1.00 0.00 N ATOM 428 CA THR A 83 7.707 -12.557 0.145 1.00 0.00 C ATOM 429 C THR A 83 7.066 -13.278 1.336 1.00 0.00 C ATOM 430 O THR A 83 6.453 -14.335 1.171 1.00 0.00 O ATOM 431 CB THR A 83 8.936 -13.361 -0.301 1.00 0.00 C ATOM 432 OG1 THR A 83 9.966 -13.163 0.669 1.00 0.00 O ATOM 433 CG2 THR A 83 9.421 -12.959 -1.699 1.00 0.00 C ATOM 0 H THR A 83 9.120 -11.020 0.229 1.00 0.00 H new ATOM 0 HA THR A 83 6.932 -12.501 -0.619 1.00 0.00 H new ATOM 0 HB THR A 83 8.666 -14.415 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.764 -13.669 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.292 -13.557 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.625 -13.131 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.691 -11.903 -1.701 1.00 0.00 H new ATOM 434 N ASP A 84 7.368 -12.779 2.523 1.00 0.00 N ATOM 435 CA ASP A 84 6.729 -13.174 3.802 1.00 0.00 C ATOM 436 C ASP A 84 5.217 -12.911 3.925 1.00 0.00 C ATOM 437 O ASP A 84 4.607 -13.364 4.903 1.00 0.00 O ATOM 438 CB ASP A 84 7.479 -12.477 4.934 1.00 0.00 C ATOM 439 CG ASP A 84 8.760 -13.223 5.287 1.00 0.00 C ATOM 440 OD1 ASP A 84 9.730 -13.051 4.514 1.00 0.00 O ATOM 441 OD2 ASP A 84 8.738 -13.931 6.306 1.00 0.00 O ATOM 0 H ASP A 84 8.085 -12.064 2.645 1.00 0.00 H new ATOM 0 HA ASP A 84 6.802 -14.260 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.719 -11.455 4.640 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.838 -12.413 5.813 1.00 0.00 H new ATOM 442 N GLY A 85 4.706 -12.068 3.040 1.00 0.00 N ATOM 443 CA GLY A 85 3.286 -11.665 3.030 1.00 0.00 C ATOM 444 C GLY A 85 3.031 -10.437 3.910 1.00 0.00 C ATOM 445 O GLY A 85 2.225 -10.507 4.838 1.00 0.00 O ATOM 0 H GLY A 85 5.259 -11.635 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.978 -11.448 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.671 -12.495 3.379 1.00 0.00 H new ATOM 446 N LEU A 86 3.663 -9.334 3.520 1.00 0.00 N ATOM 447 CA LEU A 86 3.661 -8.047 4.267 1.00 0.00 C ATOM 448 C LEU A 86 4.342 -6.904 3.531 1.00 0.00 C ATOM 449 O LEU A 86 5.294 -7.095 2.764 1.00 0.00 O ATOM 450 CB LEU A 86 4.212 -8.284 5.694 1.00 0.00 C ATOM 451 CG LEU A 86 5.628 -8.866 5.703 1.00 0.00 C ATOM 452 CD1 LEU A 86 6.619 -7.698 5.740 1.00 0.00 C ATOM 453 CD2 LEU A 86 5.829 -9.767 6.920 1.00 0.00 C ATOM 0 H LEU A 86 4.208 -9.293 2.659 1.00 0.00 H new ATOM 0 HA LEU A 86 2.629 -7.706 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.210 -7.340 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.544 -8.961 6.227 1.00 0.00 H new ATOM 0 HG LEU A 86 5.788 -9.471 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.638 -8.085 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.475 -7.071 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.450 -7.106 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.841 -10.172 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.679 -9.187 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.110 -10.586 6.889 1.00 0.00 H new ATOM 454 N LEU A 87 3.785 -5.716 3.775 1.00 0.00 N ATOM 455 CA LEU A 87 4.269 -4.456 3.201 1.00 0.00 C ATOM 456 C LEU A 87 5.203 -3.710 4.159 1.00 0.00 C ATOM 457 O LEU A 87 4.938 -3.506 5.347 1.00 0.00 O ATOM 458 CB LEU A 87 3.175 -3.547 2.586 1.00 0.00 C ATOM 459 CG LEU A 87 1.771 -3.597 3.180 1.00 0.00 C ATOM 460 CD1 LEU A 87 0.952 -2.447 2.625 1.00 0.00 C ATOM 461 CD2 LEU A 87 1.032 -4.867 2.785 1.00 0.00 C ATOM 0 H LEU A 87 2.975 -5.599 4.384 1.00 0.00 H new ATOM 0 HA LEU A 87 4.863 -4.755 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.525 -2.517 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.096 -3.793 1.527 1.00 0.00 H new ATOM 0 HG LEU A 87 1.883 -3.550 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.053 -2.479 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.427 -1.502 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.893 -2.533 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.037 -4.862 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.945 -4.915 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.585 -5.736 3.143 1.00 0.00 H new ATOM 462 N TYR A 88 6.361 -3.389 3.589 1.00 0.00 N ATOM 463 CA TYR A 88 7.473 -2.734 4.283 1.00 0.00 C ATOM 464 C TYR A 88 7.985 -1.461 3.605 1.00 0.00 C ATOM 465 O TYR A 88 7.829 -1.275 2.400 1.00 0.00 O ATOM 466 CB TYR A 88 8.615 -3.717 4.564 1.00 0.00 C ATOM 467 CG TYR A 88 9.453 -4.229 3.395 1.00 0.00 C ATOM 468 CD1 TYR A 88 8.884 -4.533 2.138 1.00 0.00 C ATOM 469 CD2 TYR A 88 10.816 -4.459 3.674 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.700 -5.073 1.136 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.627 -5.021 2.676 1.00 0.00 C ATOM 472 CZ TYR A 88 11.060 -5.301 1.424 1.00 0.00 C ATOM 473 OH TYR A 88 11.909 -5.686 0.440 1.00 0.00 O ATOM 0 H TYR A 88 6.560 -3.581 2.607 1.00 0.00 H new ATOM 0 HA TYR A 88 7.057 -2.401 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.293 -3.240 5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.187 -4.584 5.067 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.836 -4.352 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.229 -4.207 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.295 -5.310 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.668 -5.234 2.868 1.00 0.00 H new ATOM 0 HH TYR A 88 11.451 -5.636 -0.425 1.00 0.00 H new ATOM 474 N GLY A 89 8.683 -0.666 4.404 1.00 0.00 N ATOM 475 CA GLY A 89 9.171 0.675 4.037 1.00 0.00 C ATOM 476 C GLY A 89 10.550 0.639 3.363 1.00 0.00 C ATOM 477 O GLY A 89 11.432 1.411 3.737 1.00 0.00 O ATOM 0 H GLY A 89 8.938 -0.935 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.454 1.147 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.224 1.295 4.932 1.00 0.00 H new ATOM 478 N SER A 90 10.662 -0.200 2.350 1.00 0.00 N ATOM 479 CA SER A 90 11.925 -0.377 1.604 1.00 0.00 C ATOM 480 C SER A 90 12.304 0.819 0.730 1.00 0.00 C ATOM 481 O SER A 90 11.519 1.308 -0.083 1.00 0.00 O ATOM 482 CB SER A 90 11.866 -1.655 0.757 1.00 0.00 C ATOM 483 OG SER A 90 13.084 -1.818 0.035 1.00 0.00 O ATOM 0 H SER A 90 9.895 -0.781 2.012 1.00 0.00 H new ATOM 0 HA SER A 90 12.709 -0.461 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.696 -2.519 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.027 -1.603 0.063 1.00 0.00 H new ATOM 0 HG SER A 90 13.039 -2.637 -0.502 1.00 0.00 H new ATOM 484 N GLN A 91 13.475 1.362 1.039 1.00 0.00 N ATOM 485 CA GLN A 91 14.151 2.430 0.280 1.00 0.00 C ATOM 486 C GLN A 91 14.348 2.158 -1.228 1.00 0.00 C ATOM 487 O GLN A 91 14.543 3.093 -2.006 1.00 0.00 O ATOM 488 CB GLN A 91 15.536 2.622 0.898 1.00 0.00 C ATOM 489 CG GLN A 91 15.660 3.885 1.760 1.00 0.00 C ATOM 490 CD GLN A 91 14.989 3.794 3.134 1.00 0.00 C ATOM 491 OE1 GLN A 91 14.771 2.741 3.711 1.00 0.00 O ATOM 492 NE2 GLN A 91 14.634 4.939 3.677 1.00 0.00 N ATOM 0 H GLN A 91 14.009 1.065 1.856 1.00 0.00 H new ATOM 0 HA GLN A 91 13.503 3.304 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 91 15.775 1.752 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.277 2.664 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 91 16.717 4.109 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 91 15.227 4.724 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.820 5.815 3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.173 4.951 4.587 1.00 0.00 H new ATOM 493 N THR A 92 14.387 0.890 -1.596 1.00 0.00 N ATOM 494 CA THR A 92 14.618 0.449 -2.986 1.00 0.00 C ATOM 495 C THR A 92 13.314 0.225 -3.765 1.00 0.00 C ATOM 496 O THR A 92 12.556 -0.697 -3.439 1.00 0.00 O ATOM 497 CB THR A 92 15.426 -0.840 -3.073 1.00 0.00 C ATOM 498 OG1 THR A 92 14.815 -1.830 -2.240 1.00 0.00 O ATOM 499 CG2 THR A 92 16.892 -0.608 -2.759 1.00 0.00 C ATOM 0 H THR A 92 14.259 0.119 -0.941 1.00 0.00 H new ATOM 0 HA THR A 92 15.181 1.269 -3.432 1.00 0.00 H new ATOM 0 HB THR A 92 15.415 -1.212 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.840 -1.774 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.433 -1.551 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.308 0.105 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.989 -0.211 -1.749 1.00 0.00 H new ATOM 500 N PRO A 93 13.118 0.983 -4.849 1.00 0.00 N ATOM 501 CA PRO A 93 12.035 0.726 -5.786 1.00 0.00 C ATOM 502 C PRO A 93 12.412 -0.323 -6.844 1.00 0.00 C ATOM 503 O PRO A 93 13.382 -0.216 -7.587 1.00 0.00 O ATOM 504 CB PRO A 93 11.676 2.049 -6.427 1.00 0.00 C ATOM 505 CG PRO A 93 13.016 2.794 -6.419 1.00 0.00 C ATOM 506 CD PRO A 93 13.714 2.301 -5.141 1.00 0.00 C ATOM 0 HA PRO A 93 11.180 0.308 -5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.290 1.919 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.912 2.581 -5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.604 2.565 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.871 3.874 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.791 2.221 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.556 2.995 -4.315 1.00 0.00 H new ATOM 507 N ASN A 94 11.943 -1.483 -6.449 1.00 0.00 N ATOM 508 CA ASN A 94 12.004 -2.717 -7.248 1.00 0.00 C ATOM 509 C ASN A 94 10.573 -3.135 -7.615 1.00 0.00 C ATOM 510 O ASN A 94 9.610 -2.477 -7.223 1.00 0.00 O ATOM 511 CB ASN A 94 12.777 -3.687 -6.359 1.00 0.00 C ATOM 512 CG ASN A 94 12.817 -5.142 -6.846 1.00 0.00 C ATOM 513 OD1 ASN A 94 11.940 -5.952 -6.571 1.00 0.00 O ATOM 514 ND2 ASN A 94 13.810 -5.459 -7.639 1.00 0.00 N ATOM 0 H ASN A 94 11.494 -1.614 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 94 12.511 -2.642 -8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.801 -3.326 -6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.337 -3.668 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.863 -6.395 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.530 -4.770 -7.855 1.00 0.00 H new ATOM 515 N GLU A 95 10.440 -4.206 -8.386 1.00 0.00 N ATOM 516 CA GLU A 95 9.138 -4.897 -8.605 1.00 0.00 C ATOM 517 C GLU A 95 8.266 -5.019 -7.343 1.00 0.00 C ATOM 518 O GLU A 95 7.046 -5.058 -7.394 1.00 0.00 O ATOM 519 CB GLU A 95 9.430 -6.351 -8.987 1.00 0.00 C ATOM 520 CG GLU A 95 10.183 -6.599 -10.297 1.00 0.00 C ATOM 521 CD GLU A 95 10.235 -8.096 -10.570 1.00 0.00 C ATOM 522 OE1 GLU A 95 11.169 -8.744 -10.043 1.00 0.00 O ATOM 523 OE2 GLU A 95 9.314 -8.573 -11.266 1.00 0.00 O ATOM 0 H GLU A 95 11.220 -4.634 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 95 8.616 -4.305 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.004 -6.803 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.480 -6.883 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.685 -6.085 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.193 -6.194 -10.232 1.00 0.00 H new ATOM 524 N GLU A 96 8.957 -5.160 -6.217 1.00 0.00 N ATOM 525 CA GLU A 96 8.362 -5.223 -4.860 1.00 0.00 C ATOM 526 C GLU A 96 7.517 -4.012 -4.477 1.00 0.00 C ATOM 527 O GLU A 96 6.544 -4.143 -3.739 1.00 0.00 O ATOM 528 CB GLU A 96 9.488 -5.366 -3.853 1.00 0.00 C ATOM 529 CG GLU A 96 10.072 -6.768 -3.958 1.00 0.00 C ATOM 530 CD GLU A 96 10.756 -7.209 -2.656 1.00 0.00 C ATOM 531 OE1 GLU A 96 11.229 -6.307 -1.930 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.795 -8.434 -2.424 1.00 0.00 O ATOM 0 H GLU A 96 9.974 -5.237 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 96 7.684 -6.077 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.261 -4.621 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.116 -5.188 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.279 -7.473 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.794 -6.799 -4.774 1.00 0.00 H new ATOM 533 N CYS A 97 8.047 -2.850 -4.852 1.00 0.00 N ATOM 534 CA CYS A 97 7.433 -1.525 -4.658 1.00 0.00 C ATOM 535 C CYS A 97 6.530 -1.144 -5.838 1.00 0.00 C ATOM 536 O CYS A 97 5.655 -0.280 -5.721 1.00 0.00 O ATOM 537 CB CYS A 97 8.579 -0.524 -4.540 1.00 0.00 C ATOM 538 SG CYS A 97 8.037 1.219 -4.514 1.00 0.00 S ATOM 0 H CYS A 97 8.952 -2.796 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 97 6.806 -1.530 -3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.140 -0.734 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.263 -0.669 -5.376 1.00 0.00 H new ATOM 0 HG CYS A 97 6.891 1.326 -5.117 1.00 0.00 H new ATOM 539 N LEU A 98 6.777 -1.786 -6.976 1.00 0.00 N ATOM 540 CA LEU A 98 6.035 -1.476 -8.191 1.00 0.00 C ATOM 541 C LEU A 98 4.719 -2.214 -8.160 1.00 0.00 C ATOM 542 O LEU A 98 4.642 -3.419 -7.918 1.00 0.00 O ATOM 543 CB LEU A 98 6.813 -1.758 -9.471 1.00 0.00 C ATOM 544 CG LEU A 98 6.217 -0.890 -10.589 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.210 0.572 -10.247 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.133 -0.985 -11.793 1.00 0.00 C ATOM 0 H LEU A 98 7.479 -2.518 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 98 5.856 -0.401 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.870 -1.529 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.747 -2.814 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 98 5.200 -1.246 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.778 1.137 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.615 0.732 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.231 0.910 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.732 -0.376 -12.604 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.126 -0.624 -11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.200 -2.023 -12.118 1.00 0.00 H new ATOM 547 N PHE A 99 3.708 -1.369 -8.104 1.00 0.00 N ATOM 548 CA PHE A 99 2.358 -1.852 -7.920 1.00 0.00 C ATOM 549 C PHE A 99 1.409 -1.654 -9.082 1.00 0.00 C ATOM 550 O PHE A 99 1.192 -0.549 -9.544 1.00 0.00 O ATOM 551 CB PHE A 99 1.730 -1.228 -6.662 1.00 0.00 C ATOM 552 CG PHE A 99 2.445 -1.617 -5.365 1.00 0.00 C ATOM 553 CD1 PHE A 99 2.803 -2.964 -5.123 1.00 0.00 C ATOM 554 CD2 PHE A 99 2.767 -0.609 -4.448 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.484 -3.303 -3.940 1.00 0.00 C ATOM 556 CE2 PHE A 99 3.454 -0.940 -3.265 1.00 0.00 C ATOM 557 CZ PHE A 99 3.803 -2.292 -3.014 1.00 0.00 C ATOM 0 H PHE A 99 3.796 -0.356 -8.183 1.00 0.00 H new ATOM 0 HA PHE A 99 2.484 -2.930 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.739 -0.143 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.686 -1.533 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.554 -3.729 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.490 0.416 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.759 -4.329 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.714 -0.170 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.320 -2.549 -2.101 1.00 0.00 H new ATOM 558 N LEU A 100 0.853 -2.741 -9.560 1.00 0.00 N ATOM 559 CA LEU A 100 -0.103 -2.666 -10.665 1.00 0.00 C ATOM 560 C LEU A 100 -1.454 -2.113 -10.238 1.00 0.00 C ATOM 561 O LEU A 100 -2.133 -2.681 -9.379 1.00 0.00 O ATOM 562 CB LEU A 100 -0.286 -4.092 -11.213 1.00 0.00 C ATOM 563 CG LEU A 100 -0.489 -4.109 -12.722 1.00 0.00 C ATOM 564 CD1 LEU A 100 0.883 -4.205 -13.369 1.00 0.00 C ATOM 565 CD2 LEU A 100 -1.294 -5.352 -13.135 1.00 0.00 C ATOM 0 H LEU A 100 1.036 -3.683 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 100 0.290 -1.984 -11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.588 -4.691 -10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.144 -4.558 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.024 -3.211 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.774 -4.219 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.484 -3.344 -13.076 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.376 -5.120 -13.042 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.433 -5.353 -14.216 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.754 -6.251 -12.838 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.267 -5.335 -12.644 1.00 0.00 H new ATOM 566 N GLU A 101 -1.726 -0.924 -10.755 1.00 0.00 N ATOM 567 CA GLU A 101 -2.951 -0.179 -10.421 1.00 0.00 C ATOM 568 C GLU A 101 -4.224 -0.775 -11.021 1.00 0.00 C ATOM 569 O GLU A 101 -4.615 -0.573 -12.165 1.00 0.00 O ATOM 570 CB GLU A 101 -2.731 1.282 -10.792 1.00 0.00 C ATOM 571 CG GLU A 101 -3.816 2.202 -10.257 1.00 0.00 C ATOM 572 CD GLU A 101 -3.323 3.653 -10.284 1.00 0.00 C ATOM 573 OE1 GLU A 101 -3.501 4.305 -11.330 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.698 4.046 -9.266 1.00 0.00 O ATOM 0 H GLU A 101 -1.114 -0.443 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.129 -0.257 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.765 1.607 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.688 1.373 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.719 2.103 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.079 1.916 -9.239 1.00 0.00 H new ATOM 575 N ARG A 102 -4.834 -1.530 -10.127 1.00 0.00 N ATOM 576 CA ARG A 102 -6.124 -2.191 -10.275 1.00 0.00 C ATOM 577 C ARG A 102 -7.211 -1.218 -9.811 1.00 0.00 C ATOM 578 O ARG A 102 -7.260 -0.780 -8.667 1.00 0.00 O ATOM 579 CB ARG A 102 -6.157 -3.387 -9.341 1.00 0.00 C ATOM 580 CG ARG A 102 -5.106 -4.480 -9.594 1.00 0.00 C ATOM 581 CD ARG A 102 -5.247 -5.157 -10.969 1.00 0.00 C ATOM 582 NE ARG A 102 -6.558 -5.800 -11.129 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.531 -5.416 -11.962 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.415 -4.364 -12.780 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.667 -6.097 -11.965 1.00 0.00 N ATOM 0 H ARG A 102 -4.416 -1.712 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.280 -2.497 -11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.036 -3.026 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.145 -3.842 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.111 -4.043 -9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.186 -5.238 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.108 -4.415 -11.755 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.460 -5.901 -11.090 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.744 -6.618 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.555 -3.815 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.186 -4.111 -13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.785 -6.895 -11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.424 -5.823 -12.591 1.00 0.00 H new ATOM 586 N LEU A 103 -8.115 -0.934 -10.733 1.00 0.00 N ATOM 587 CA LEU A 103 -9.184 0.044 -10.463 1.00 0.00 C ATOM 588 C LEU A 103 -10.563 -0.629 -10.450 1.00 0.00 C ATOM 589 O LEU A 103 -10.919 -1.386 -11.345 1.00 0.00 O ATOM 590 CB LEU A 103 -9.101 1.143 -11.525 1.00 0.00 C ATOM 591 CG LEU A 103 -9.958 2.374 -11.240 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.601 3.078 -9.933 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.842 3.351 -12.408 1.00 0.00 C ATOM 0 H LEU A 103 -8.141 -1.352 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.048 0.481 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.062 1.456 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.400 0.724 -12.486 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.985 2.027 -11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.250 3.943 -9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.735 2.388 -9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.562 3.406 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.453 4.231 -12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.801 3.651 -12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.189 2.869 -13.322 1.00 0.00 H new ATOM 594 N GLU A 104 -11.360 -0.158 -9.508 1.00 0.00 N ATOM 595 CA GLU A 104 -12.762 -0.572 -9.307 1.00 0.00 C ATOM 596 C GLU A 104 -13.749 0.239 -10.175 1.00 0.00 C ATOM 597 O GLU A 104 -14.957 0.238 -9.948 1.00 0.00 O ATOM 598 CB GLU A 104 -13.134 -0.402 -7.838 1.00 0.00 C ATOM 599 CG GLU A 104 -12.462 -1.431 -6.930 1.00 0.00 C ATOM 600 CD GLU A 104 -13.120 -2.813 -7.012 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.756 -3.573 -7.933 1.00 0.00 O ATOM 602 OE2 GLU A 104 -13.986 -3.068 -6.146 1.00 0.00 O ATOM 0 H GLU A 104 -11.053 0.544 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.838 -1.617 -9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.855 0.600 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.216 -0.482 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.410 -1.517 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.497 -1.077 -5.900 1.00 0.00 H new ATOM 603 N GLU A 105 -13.210 0.761 -11.274 1.00 0.00 N ATOM 604 CA GLU A 105 -13.764 1.837 -12.123 1.00 0.00 C ATOM 605 C GLU A 105 -14.058 3.171 -11.442 1.00 0.00 C ATOM 606 O GLU A 105 -13.647 4.235 -11.871 1.00 0.00 O ATOM 607 CB GLU A 105 -14.968 1.359 -12.945 1.00 0.00 C ATOM 608 CG GLU A 105 -14.571 0.282 -13.978 1.00 0.00 C ATOM 609 CD GLU A 105 -13.445 0.762 -14.903 1.00 0.00 C ATOM 610 OE1 GLU A 105 -13.758 1.557 -15.807 1.00 0.00 O ATOM 611 OE2 GLU A 105 -12.294 0.343 -14.648 1.00 0.00 O ATOM 0 H GLU A 105 -12.313 0.427 -11.627 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.933 2.065 -12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.728 0.956 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.416 2.209 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.252 -0.621 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.442 0.014 -14.576 1.00 0.00 H new ATOM 612 N ASN A 106 -14.690 3.001 -10.295 1.00 0.00 N ATOM 613 CA ASN A 106 -14.710 3.974 -9.205 1.00 0.00 C ATOM 614 C ASN A 106 -13.269 4.077 -8.663 1.00 0.00 C ATOM 615 O ASN A 106 -12.542 3.079 -8.711 1.00 0.00 O ATOM 616 CB ASN A 106 -15.594 3.348 -8.145 1.00 0.00 C ATOM 617 CG ASN A 106 -16.254 4.444 -7.315 1.00 0.00 C ATOM 618 OD1 ASN A 106 -15.642 5.356 -6.765 1.00 0.00 O ATOM 619 ND2 ASN A 106 -17.542 4.286 -7.122 1.00 0.00 N ATOM 0 H ASN A 106 -15.222 2.157 -10.084 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.065 4.961 -9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.356 2.725 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.002 2.697 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.048 4.925 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.037 3.524 -7.585 1.00 0.00 H new ATOM 620 N HIS A 107 -13.061 5.087 -7.838 1.00 0.00 N ATOM 621 CA HIS A 107 -11.752 5.559 -7.330 1.00 0.00 C ATOM 622 C HIS A 107 -11.003 4.651 -6.336 1.00 0.00 C ATOM 623 O HIS A 107 -9.950 5.025 -5.817 1.00 0.00 O ATOM 624 CB HIS A 107 -11.918 6.929 -6.673 1.00 0.00 C ATOM 625 CG HIS A 107 -12.516 7.893 -7.678 1.00 0.00 C ATOM 626 ND1 HIS A 107 -13.819 7.970 -7.934 1.00 0.00 N ATOM 627 CD2 HIS A 107 -11.858 8.474 -8.679 1.00 0.00 C ATOM 628 CE1 HIS A 107 -13.965 8.565 -9.117 1.00 0.00 C ATOM 629 NE2 HIS A 107 -12.750 8.868 -9.564 1.00 0.00 N ATOM 0 H HIS A 107 -13.835 5.643 -7.474 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.132 5.573 -8.227 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.563 6.850 -5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.953 7.299 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.788 8.599 -8.752 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.899 8.765 -9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.542 9.331 -10.449 1.00 0.00 H new ATOM 630 N TYR A 108 -11.468 3.412 -6.255 1.00 0.00 N ATOM 631 CA TYR A 108 -10.885 2.378 -5.398 1.00 0.00 C ATOM 632 C TYR A 108 -9.746 1.667 -6.121 1.00 0.00 C ATOM 633 O TYR A 108 -9.928 0.741 -6.919 1.00 0.00 O ATOM 634 CB TYR A 108 -11.930 1.375 -4.912 1.00 0.00 C ATOM 635 CG TYR A 108 -13.062 2.042 -4.140 1.00 0.00 C ATOM 636 CD1 TYR A 108 -14.168 2.553 -4.857 1.00 0.00 C ATOM 637 CD2 TYR A 108 -12.902 2.247 -2.757 1.00 0.00 C ATOM 638 CE1 TYR A 108 -15.128 3.321 -4.169 1.00 0.00 C ATOM 639 CE2 TYR A 108 -13.861 3.015 -2.069 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.952 3.552 -2.800 1.00 0.00 C ATOM 641 OH TYR A 108 -15.831 4.370 -2.155 1.00 0.00 O ATOM 0 H TYR A 108 -12.274 3.088 -6.790 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.485 2.875 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.343 0.841 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.448 0.632 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -14.275 2.358 -5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.059 1.823 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -15.984 3.724 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -13.768 3.191 -1.008 1.00 0.00 H new ATOM 0 HH TYR A 108 -15.583 4.435 -1.209 1.00 0.00 H new ATOM 642 N ASN A 109 -8.621 2.348 -5.979 1.00 0.00 N ATOM 643 CA ASN A 109 -7.301 1.911 -6.430 1.00 0.00 C ATOM 644 C ASN A 109 -6.776 0.836 -5.481 1.00 0.00 C ATOM 645 O ASN A 109 -6.830 0.942 -4.260 1.00 0.00 O ATOM 646 CB ASN A 109 -6.343 3.094 -6.342 1.00 0.00 C ATOM 647 CG ASN A 109 -6.347 4.000 -7.573 1.00 0.00 C ATOM 648 OD1 ASN A 109 -5.467 3.958 -8.420 1.00 0.00 O ATOM 649 ND2 ASN A 109 -7.224 4.978 -7.611 1.00 0.00 N ATOM 0 H ASN A 109 -8.597 3.262 -5.527 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.372 1.529 -7.448 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.600 3.690 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.332 2.717 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.164 5.688 -8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.964 5.027 -6.911 1.00 0.00 H new ATOM 650 N THR A 110 -6.560 -0.301 -6.116 1.00 0.00 N ATOM 651 CA THR A 110 -5.903 -1.456 -5.483 1.00 0.00 C ATOM 652 C THR A 110 -4.634 -1.782 -6.280 1.00 0.00 C ATOM 653 O THR A 110 -4.425 -1.298 -7.400 1.00 0.00 O ATOM 654 CB THR A 110 -6.885 -2.625 -5.342 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.250 -3.152 -6.606 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.130 -2.255 -4.550 1.00 0.00 C ATOM 0 H THR A 110 -6.831 -0.461 -7.086 1.00 0.00 H new ATOM 0 HA THR A 110 -5.594 -1.230 -4.462 1.00 0.00 H new ATOM 0 HB THR A 110 -6.356 -3.395 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.143 -3.552 -6.548 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.789 -3.121 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.843 -1.938 -3.547 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.652 -1.440 -5.052 1.00 0.00 H new ATOM 657 N TYR A 111 -3.744 -2.586 -5.699 1.00 0.00 N ATOM 658 CA TYR A 111 -2.327 -2.594 -6.105 1.00 0.00 C ATOM 659 C TYR A 111 -1.617 -3.952 -5.974 1.00 0.00 C ATOM 660 O TYR A 111 -1.037 -4.249 -4.925 1.00 0.00 O ATOM 661 CB TYR A 111 -1.553 -1.549 -5.280 1.00 0.00 C ATOM 662 CG TYR A 111 -1.978 -0.107 -5.519 1.00 0.00 C ATOM 663 CD1 TYR A 111 -1.672 0.501 -6.753 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.614 0.597 -4.474 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.035 1.853 -6.955 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.964 1.951 -4.672 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.669 2.555 -5.920 1.00 0.00 C ATOM 668 OH TYR A 111 -3.073 3.837 -6.125 1.00 0.00 O ATOM 0 H TYR A 111 -3.971 -3.239 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.330 -2.358 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.675 -1.779 -4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.491 -1.642 -5.506 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.169 -0.055 -7.530 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.830 0.107 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.826 2.339 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.447 2.515 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.022 4.047 -7.081 1.00 0.00 H new ATOM 669 N ILE A 112 -1.621 -4.722 -7.056 1.00 0.00 N ATOM 670 CA ILE A 112 -0.845 -5.983 -7.096 1.00 0.00 C ATOM 671 C ILE A 112 0.642 -5.605 -7.005 1.00 0.00 C ATOM 672 O ILE A 112 1.138 -4.805 -7.808 1.00 0.00 O ATOM 673 CB ILE A 112 -1.007 -6.809 -8.400 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.455 -7.149 -8.752 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.149 -8.086 -8.409 1.00 0.00 C ATOM 676 CD1 ILE A 112 -3.189 -8.045 -7.747 1.00 0.00 C ATOM 0 H ILE A 112 -2.139 -4.512 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.214 -6.598 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.640 -6.139 -9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.013 -6.218 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.468 -7.639 -9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.304 -8.622 -9.345 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.903 -7.818 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.438 -8.724 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.207 -8.223 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.665 -8.996 -7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.218 -7.553 -6.775 1.00 0.00 H new ATOM 677 N SER A 113 1.341 -6.293 -6.127 1.00 0.00 N ATOM 678 CA SER A 113 2.816 -6.234 -6.097 1.00 0.00 C ATOM 679 C SER A 113 3.346 -6.933 -7.343 1.00 0.00 C ATOM 680 O SER A 113 3.060 -8.107 -7.552 1.00 0.00 O ATOM 681 CB SER A 113 3.379 -6.901 -4.832 1.00 0.00 C ATOM 682 OG SER A 113 4.801 -6.745 -4.794 1.00 0.00 O ATOM 0 H SER A 113 0.928 -6.902 -5.421 1.00 0.00 H new ATOM 0 HA SER A 113 3.134 -5.192 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.931 -6.454 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.120 -7.960 -4.822 1.00 0.00 H new ATOM 0 HG SER A 113 5.024 -5.862 -4.431 1.00 0.00 H new ATOM 683 N LYS A 114 3.977 -6.156 -8.215 1.00 0.00 N ATOM 684 CA LYS A 114 4.557 -6.663 -9.470 1.00 0.00 C ATOM 685 C LYS A 114 5.357 -7.964 -9.315 1.00 0.00 C ATOM 686 O LYS A 114 5.110 -8.900 -10.065 1.00 0.00 O ATOM 687 CB LYS A 114 5.366 -5.533 -10.127 1.00 0.00 C ATOM 688 CG LYS A 114 6.151 -5.899 -11.390 1.00 0.00 C ATOM 689 CD LYS A 114 5.322 -6.400 -12.574 1.00 0.00 C ATOM 690 CE LYS A 114 4.519 -5.280 -13.223 1.00 0.00 C ATOM 691 NZ LYS A 114 3.798 -5.807 -14.386 1.00 0.00 N ATOM 0 H LYS A 114 4.106 -5.153 -8.079 1.00 0.00 H new ATOM 0 HA LYS A 114 3.738 -6.953 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.681 -4.722 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.068 -5.143 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.713 -5.022 -11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.879 -6.667 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.983 -6.849 -13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.644 -7.183 -12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.815 -4.859 -12.505 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.183 -4.472 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.249 -5.043 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.479 -6.188 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.153 -6.564 -14.081 1.00 0.00 H new ATOM 692 N LYS A 115 6.143 -8.093 -8.238 1.00 0.00 N ATOM 693 CA LYS A 115 6.864 -9.366 -8.030 1.00 0.00 C ATOM 694 C LYS A 115 5.912 -10.487 -7.553 1.00 0.00 C ATOM 695 O LYS A 115 5.910 -11.569 -8.124 1.00 0.00 O ATOM 696 CB LYS A 115 8.111 -9.210 -7.151 1.00 0.00 C ATOM 697 CG LYS A 115 7.856 -9.162 -5.638 1.00 0.00 C ATOM 698 CD LYS A 115 8.740 -10.124 -4.857 1.00 0.00 C ATOM 699 CE LYS A 115 8.357 -11.584 -5.109 1.00 0.00 C ATOM 700 NZ LYS A 115 9.407 -12.260 -5.873 1.00 0.00 N ATOM 0 H LYS A 115 6.295 -7.376 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 115 7.245 -9.678 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.787 -10.039 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.627 -8.296 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.026 -8.147 -5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.810 -9.398 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.782 -9.968 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.661 -9.907 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.202 -12.096 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.414 -11.631 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.337 -13.287 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.292 -12.047 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.339 -11.927 -5.553 1.00 0.00 H new ATOM 701 N HIS A 116 4.979 -10.126 -6.678 1.00 0.00 N ATOM 702 CA HIS A 116 3.943 -11.044 -6.159 1.00 0.00 C ATOM 703 C HIS A 116 2.706 -11.159 -7.070 1.00 0.00 C ATOM 704 O HIS A 116 1.664 -11.645 -6.641 1.00 0.00 O ATOM 705 CB HIS A 116 3.521 -10.587 -4.760 1.00 0.00 C ATOM 706 CG HIS A 116 4.708 -10.481 -3.799 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.105 -9.362 -3.197 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.479 -11.478 -3.384 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.111 -9.671 -2.387 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.347 -10.978 -2.515 1.00 0.00 N ATOM 0 H HIS A 116 4.911 -9.181 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 116 4.388 -12.039 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.026 -9.618 -4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.791 -11.289 -4.356 1.00 0.00 H new ATOM 0 HD1 HIS A 116 4.707 -8.433 -3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.412 -12.509 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.642 -8.988 -1.741 1.00 0.00 H new ATOM 711 N ALA A 117 2.938 -10.947 -8.372 1.00 0.00 N ATOM 712 CA ALA A 117 1.929 -11.178 -9.424 1.00 0.00 C ATOM 713 C ALA A 117 1.429 -12.622 -9.402 1.00 0.00 C ATOM 714 O ALA A 117 0.227 -12.854 -9.290 1.00 0.00 O ATOM 715 CB ALA A 117 2.532 -10.834 -10.788 1.00 0.00 C ATOM 0 H ALA A 117 3.831 -10.610 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 117 1.070 -10.533 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.789 -11.004 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.836 -9.787 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.401 -11.466 -10.971 1.00 0.00 H new ATOM 716 N GLU A 118 2.368 -13.528 -9.124 1.00 0.00 N ATOM 717 CA GLU A 118 2.057 -14.960 -9.022 1.00 0.00 C ATOM 718 C GLU A 118 1.341 -15.406 -7.730 1.00 0.00 C ATOM 719 O GLU A 118 0.885 -16.546 -7.622 1.00 0.00 O ATOM 720 CB GLU A 118 3.278 -15.844 -9.348 1.00 0.00 C ATOM 721 CG GLU A 118 4.494 -15.557 -8.475 1.00 0.00 C ATOM 722 CD GLU A 118 5.648 -16.466 -8.892 1.00 0.00 C ATOM 723 OE1 GLU A 118 6.382 -16.050 -9.818 1.00 0.00 O ATOM 724 OE2 GLU A 118 5.756 -17.555 -8.295 1.00 0.00 O ATOM 0 H GLU A 118 3.349 -13.299 -8.965 1.00 0.00 H new ATOM 0 HA GLU A 118 1.306 -15.117 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.998 -16.891 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.551 -15.700 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.787 -14.512 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.248 -15.722 -7.426 1.00 0.00 H new ATOM 725 N LYS A 119 1.209 -14.475 -6.797 1.00 0.00 N ATOM 726 CA LYS A 119 0.469 -14.641 -5.532 1.00 0.00 C ATOM 727 C LYS A 119 -0.762 -13.728 -5.416 1.00 0.00 C ATOM 728 O LYS A 119 -1.551 -13.903 -4.494 1.00 0.00 O ATOM 729 CB LYS A 119 1.454 -14.362 -4.394 1.00 0.00 C ATOM 730 CG LYS A 119 2.277 -15.612 -4.060 1.00 0.00 C ATOM 731 CD LYS A 119 3.724 -15.272 -3.708 1.00 0.00 C ATOM 732 CE LYS A 119 4.532 -14.914 -4.964 1.00 0.00 C ATOM 733 NZ LYS A 119 5.945 -14.677 -4.625 1.00 0.00 N ATOM 0 H LYS A 119 1.624 -13.548 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 119 0.076 -15.657 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.121 -13.548 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.909 -14.034 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.815 -16.137 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.262 -16.293 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.744 -14.436 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.187 -16.120 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.458 -15.722 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.111 -14.024 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.322 -13.913 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.021 -14.404 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.492 -15.546 -4.789 1.00 0.00 H new ATOM 734 N ASN A 120 -0.978 -12.860 -6.409 1.00 0.00 N ATOM 735 CA ASN A 120 -2.041 -11.818 -6.451 1.00 0.00 C ATOM 736 C ASN A 120 -2.116 -10.938 -5.198 1.00 0.00 C ATOM 737 O ASN A 120 -3.178 -10.432 -4.826 1.00 0.00 O ATOM 738 CB ASN A 120 -3.431 -12.449 -6.652 1.00 0.00 C ATOM 739 CG ASN A 120 -3.518 -13.285 -7.928 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.743 -12.817 -9.032 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.389 -14.574 -7.746 1.00 0.00 N ATOM 0 H ASN A 120 -0.398 -12.854 -7.248 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.761 -11.187 -7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.668 -13.077 -5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.182 -11.660 -6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.476 -15.212 -8.537 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.201 -14.941 -6.813 1.00 0.00 H new ATOM 742 N TRP A 121 -0.962 -10.672 -4.592 1.00 0.00 N ATOM 743 CA TRP A 121 -0.962 -9.868 -3.357 1.00 0.00 C ATOM 744 C TRP A 121 -1.093 -8.386 -3.653 1.00 0.00 C ATOM 745 O TRP A 121 -0.254 -7.777 -4.317 1.00 0.00 O ATOM 746 CB TRP A 121 0.278 -10.082 -2.477 1.00 0.00 C ATOM 747 CG TRP A 121 0.435 -11.501 -1.939 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.479 -12.457 -1.906 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.591 -11.992 -1.353 1.00 0.00 C ATOM 750 NE1 TRP A 121 0.045 -13.555 -1.355 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.291 -13.306 -0.954 1.00 0.00 C ATOM 752 CE3 TRP A 121 2.862 -11.430 -1.116 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.250 -14.074 -0.273 1.00 0.00 C ATOM 754 CZ3 TRP A 121 3.843 -12.218 -0.476 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.518 -13.523 -0.022 1.00 0.00 C ATOM 0 H TRP A 121 -0.045 -10.983 -4.913 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.832 -10.220 -2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.166 -9.826 -3.054 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.234 -9.391 -1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.492 -12.364 -2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.436 -14.449 -1.256 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.081 -10.416 -1.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 2.015 -15.076 0.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.840 -11.828 -0.332 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.253 -14.098 0.522 1.00 0.00 H new ATOM 756 N PHE A 122 -2.235 -7.876 -3.209 1.00 0.00 N ATOM 757 CA PHE A 122 -2.465 -6.434 -3.197 1.00 0.00 C ATOM 758 C PHE A 122 -1.975 -5.931 -1.840 1.00 0.00 C ATOM 759 O PHE A 122 -1.976 -6.696 -0.863 1.00 0.00 O ATOM 760 CB PHE A 122 -3.941 -6.078 -3.299 1.00 0.00 C ATOM 761 CG PHE A 122 -4.663 -6.580 -4.546 1.00 0.00 C ATOM 762 CD1 PHE A 122 -5.160 -7.912 -4.590 1.00 0.00 C ATOM 763 CD2 PHE A 122 -5.014 -5.651 -5.536 1.00 0.00 C ATOM 764 CE1 PHE A 122 -6.024 -8.290 -5.637 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.897 -6.025 -6.569 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.388 -7.349 -6.613 1.00 0.00 C ATOM 0 H PHE A 122 -3.012 -8.433 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.950 -5.989 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.452 -6.475 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.037 -4.993 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.878 -8.625 -3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.608 -4.650 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.405 -9.299 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.195 -5.307 -7.319 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.054 -7.642 -7.411 1.00 0.00 H new ATOM 767 N VAL A 123 -1.472 -4.709 -1.838 1.00 0.00 N ATOM 768 CA VAL A 123 -1.058 -4.003 -0.601 1.00 0.00 C ATOM 769 C VAL A 123 -1.923 -4.261 0.650 1.00 0.00 C ATOM 770 O VAL A 123 -1.666 -5.210 1.385 1.00 0.00 O ATOM 771 CB VAL A 123 -0.805 -2.515 -0.893 1.00 0.00 C ATOM 772 CG1 VAL A 123 0.536 -2.352 -1.585 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.895 -1.865 -1.735 1.00 0.00 C ATOM 0 H VAL A 123 -1.332 -4.162 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.113 -4.457 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.809 -2.005 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.713 -1.296 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.327 -2.734 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.532 -2.909 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.650 -0.816 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.967 -2.377 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.849 -1.936 -1.213 1.00 0.00 H new ATOM 774 N GLY A 124 -2.873 -3.383 0.892 1.00 0.00 N ATOM 775 CA GLY A 124 -3.839 -3.523 1.997 1.00 0.00 C ATOM 776 C GLY A 124 -3.438 -2.830 3.288 1.00 0.00 C ATOM 777 O GLY A 124 -2.301 -2.456 3.539 1.00 0.00 O ATOM 0 H GLY A 124 -3.010 -2.541 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.801 -3.126 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.984 -4.584 2.201 1.00 0.00 H new ATOM 778 N LEU A 125 -4.543 -2.323 3.811 1.00 0.00 N ATOM 779 CA LEU A 125 -4.631 -1.678 5.120 1.00 0.00 C ATOM 780 C LEU A 125 -5.301 -2.601 6.122 1.00 0.00 C ATOM 781 O LEU A 125 -6.449 -3.015 5.979 1.00 0.00 O ATOM 782 CB LEU A 125 -5.384 -0.350 4.994 1.00 0.00 C ATOM 783 CG LEU A 125 -4.353 0.770 5.016 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.356 0.713 3.872 1.00 0.00 C ATOM 785 CD2 LEU A 125 -5.069 2.122 4.960 1.00 0.00 C ATOM 0 H LEU A 125 -5.438 -2.348 3.322 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.626 -1.468 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.959 -0.323 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.093 -0.233 5.813 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.791 0.644 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.656 1.544 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.809 -0.229 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.887 0.783 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.332 2.925 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.655 2.186 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.730 2.220 5.821 1.00 0.00 H new ATOM 786 N LYS A 126 -4.433 -3.066 6.999 1.00 0.00 N ATOM 787 CA LYS A 126 -4.847 -3.966 8.057 1.00 0.00 C ATOM 788 C LYS A 126 -5.738 -3.207 9.056 1.00 0.00 C ATOM 789 O LYS A 126 -5.279 -2.344 9.800 1.00 0.00 O ATOM 790 CB LYS A 126 -3.600 -4.544 8.754 1.00 0.00 C ATOM 791 CG LYS A 126 -3.728 -5.957 9.327 1.00 0.00 C ATOM 792 CD LYS A 126 -4.790 -6.121 10.419 1.00 0.00 C ATOM 793 CE LYS A 126 -4.589 -5.148 11.592 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.923 -5.801 12.723 1.00 0.00 N ATOM 0 H LYS A 126 -3.439 -2.836 7.000 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.424 -4.792 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.777 -4.540 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.321 -3.872 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.958 -6.643 8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.762 -6.257 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.778 -5.963 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.766 -7.145 10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.995 -4.296 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.555 -4.758 11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.803 -5.117 13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.502 -6.599 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.991 -6.151 12.422 1.00 0.00 H new ATOM 795 N LYS A 127 -6.955 -3.740 9.134 1.00 0.00 N ATOM 796 CA LYS A 127 -8.180 -3.195 9.770 1.00 0.00 C ATOM 797 C LYS A 127 -8.212 -2.567 11.180 1.00 0.00 C ATOM 798 O LYS A 127 -9.243 -2.047 11.592 1.00 0.00 O ATOM 799 CB LYS A 127 -9.290 -4.249 9.735 1.00 0.00 C ATOM 800 CG LYS A 127 -10.130 -4.054 8.478 1.00 0.00 C ATOM 801 CD LYS A 127 -9.540 -4.789 7.275 1.00 0.00 C ATOM 802 CE LYS A 127 -9.995 -6.245 7.326 1.00 0.00 C ATOM 803 NZ LYS A 127 -8.764 -7.038 7.305 1.00 0.00 N ATOM 0 H LYS A 127 -7.140 -4.652 8.717 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.289 -2.311 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.858 -5.250 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.917 -4.163 10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.143 -4.412 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.203 -2.990 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.869 -4.322 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.452 -4.731 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.575 -6.444 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.633 -6.487 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.981 -8.023 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.348 -7.008 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.087 -6.646 7.991 1.00 0.00 H new ATOM 804 N ASN A 128 -7.055 -2.459 11.803 1.00 0.00 N ATOM 805 CA ASN A 128 -6.939 -2.021 13.199 1.00 0.00 C ATOM 806 C ASN A 128 -6.029 -0.796 13.334 1.00 0.00 C ATOM 807 O ASN A 128 -6.452 0.235 13.835 1.00 0.00 O ATOM 808 CB ASN A 128 -6.391 -3.211 13.971 1.00 0.00 C ATOM 809 CG ASN A 128 -7.415 -4.345 14.164 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.147 -5.500 13.902 1.00 0.00 O ATOM 811 ND2 ASN A 128 -8.653 -4.019 14.490 1.00 0.00 N ATOM 0 H ASN A 128 -6.160 -2.671 11.362 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.907 -1.710 13.592 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.520 -3.604 13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -6.048 -2.872 14.949 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.378 -4.736 14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -8.884 -3.050 14.711 1.00 0.00 H new ATOM 812 N GLY A 129 -4.775 -1.007 12.947 1.00 0.00 N ATOM 813 CA GLY A 129 -3.747 0.050 12.909 1.00 0.00 C ATOM 814 C GLY A 129 -2.432 -0.415 12.279 1.00 0.00 C ATOM 815 O GLY A 129 -1.362 -0.197 12.840 1.00 0.00 O ATOM 0 H GLY A 129 -4.432 -1.920 12.647 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.131 0.902 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -3.554 0.398 13.924 1.00 0.00 H new ATOM 816 N SER A 130 -2.554 -1.267 11.259 1.00 0.00 N ATOM 817 CA SER A 130 -1.411 -1.659 10.418 1.00 0.00 C ATOM 818 C SER A 130 -1.799 -1.703 8.923 1.00 0.00 C ATOM 819 O SER A 130 -2.803 -1.125 8.515 1.00 0.00 O ATOM 820 CB SER A 130 -0.808 -2.994 10.914 1.00 0.00 C ATOM 821 OG SER A 130 0.383 -3.293 10.170 1.00 0.00 O ATOM 0 H SER A 130 -3.436 -1.703 10.991 1.00 0.00 H new ATOM 0 HA SER A 130 -0.636 -0.898 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.577 -2.927 11.977 1.00 0.00 H new ATOM 0 HB3 SER A 130 -1.534 -3.798 10.796 1.00 0.00 H new ATOM 0 HG SER A 130 1.014 -3.776 10.743 1.00 0.00 H new ATOM 822 N CYS A 131 -0.838 -2.125 8.108 1.00 0.00 N ATOM 823 CA CYS A 131 -1.038 -2.416 6.672 1.00 0.00 C ATOM 824 C CYS A 131 -0.622 -3.853 6.369 1.00 0.00 C ATOM 825 O CYS A 131 -1.453 -4.669 5.993 1.00 0.00 O ATOM 826 CB CYS A 131 -0.209 -1.492 5.788 1.00 0.00 C ATOM 827 SG CYS A 131 -0.713 0.259 5.879 1.00 0.00 S ATOM 0 H CYS A 131 0.120 -2.280 8.421 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.096 -2.262 6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.839 -1.574 6.075 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.284 -1.829 4.754 1.00 0.00 H new ATOM 0 HG CYS A 131 0.032 0.967 5.083 1.00 0.00 H new ATOM 828 N LYS A 132 0.618 -4.147 6.769 1.00 0.00 N ATOM 829 CA LYS A 132 1.337 -5.392 6.508 1.00 0.00 C ATOM 830 C LYS A 132 0.627 -6.755 6.469 1.00 0.00 C ATOM 831 O LYS A 132 0.454 -7.455 7.468 1.00 0.00 O ATOM 832 CB LYS A 132 2.665 -5.370 7.301 1.00 0.00 C ATOM 833 CG LYS A 132 2.508 -5.183 8.815 1.00 0.00 C ATOM 834 CD LYS A 132 2.625 -6.523 9.534 1.00 0.00 C ATOM 835 CE LYS A 132 1.769 -6.541 10.792 1.00 0.00 C ATOM 836 NZ LYS A 132 1.659 -7.936 11.213 1.00 0.00 N ATOM 0 H LYS A 132 1.175 -3.487 7.312 1.00 0.00 H new ATOM 0 HA LYS A 132 1.492 -5.359 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 132 3.197 -6.304 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.290 -4.566 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.271 -4.498 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 132 1.541 -4.730 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 132 2.314 -7.327 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 132 3.667 -6.710 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 132 2.223 -5.936 11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 132 0.784 -6.119 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 1.079 -7.994 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.212 -8.493 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.607 -8.315 11.408 1.00 0.00 H new ATOM 837 N ARG A 133 0.253 -7.065 5.234 1.00 0.00 N ATOM 838 CA ARG A 133 -0.258 -8.383 4.842 1.00 0.00 C ATOM 839 C ARG A 133 -0.110 -8.692 3.341 1.00 0.00 C ATOM 840 O ARG A 133 0.305 -7.837 2.560 1.00 0.00 O ATOM 841 CB ARG A 133 -1.732 -8.534 5.267 1.00 0.00 C ATOM 842 CG ARG A 133 -2.089 -9.986 5.569 1.00 0.00 C ATOM 843 CD ARG A 133 -1.539 -10.472 6.917 1.00 0.00 C ATOM 844 NE ARG A 133 -0.260 -11.192 6.747 1.00 0.00 N ATOM 845 CZ ARG A 133 -0.105 -12.511 6.596 1.00 0.00 C ATOM 846 NH1 ARG A 133 -1.155 -13.341 6.601 1.00 0.00 N ATOM 847 NH2 ARG A 133 1.093 -12.996 6.360 1.00 0.00 N ATOM 0 H ARG A 133 0.295 -6.401 4.461 1.00 0.00 H new ATOM 0 HA ARG A 133 0.362 -9.110 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.920 -7.922 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.379 -8.158 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.173 -10.096 5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.701 -10.623 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -1.394 -9.620 7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.267 -11.128 7.394 1.00 0.00 H new ATOM 0 HE ARG A 133 0.589 -10.626 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.098 -12.970 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.013 -14.344 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.894 -12.368 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.222 -14.001 6.243 1.00 0.00 H new ATOM 848 N GLY A 134 -0.173 -9.990 3.035 1.00 0.00 N ATOM 849 CA GLY A 134 0.005 -10.530 1.669 1.00 0.00 C ATOM 850 C GLY A 134 -1.045 -11.580 1.291 1.00 0.00 C ATOM 851 O GLY A 134 -1.962 -11.266 0.531 1.00 0.00 O ATOM 0 H GLY A 134 -0.351 -10.712 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.038 -9.709 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 134 0.998 -10.973 1.587 1.00 0.00 H new ATOM 852 N PRO A 135 -0.964 -12.817 1.825 1.00 0.00 N ATOM 853 CA PRO A 135 -1.812 -13.934 1.369 1.00 0.00 C ATOM 854 C PRO A 135 -3.157 -14.001 2.108 1.00 0.00 C ATOM 855 O PRO A 135 -3.543 -15.004 2.702 1.00 0.00 O ATOM 856 CB PRO A 135 -0.893 -15.137 1.578 1.00 0.00 C ATOM 857 CG PRO A 135 -0.198 -14.806 2.901 1.00 0.00 C ATOM 858 CD PRO A 135 0.014 -13.292 2.840 1.00 0.00 C ATOM 0 HA PRO A 135 -2.147 -13.852 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.454 -16.069 1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -0.179 -15.247 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -0.812 -15.089 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.748 -15.338 2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.164 -12.827 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 135 1.036 -13.046 2.551 1.00 0.00 H new ATOM 859 N ARG A 136 -3.878 -12.910 1.911 1.00 0.00 N ATOM 860 CA ARG A 136 -5.203 -12.622 2.504 1.00 0.00 C ATOM 861 C ARG A 136 -5.818 -11.386 1.816 1.00 0.00 C ATOM 862 O ARG A 136 -7.011 -11.350 1.532 1.00 0.00 O ATOM 863 CB ARG A 136 -5.059 -12.347 4.014 1.00 0.00 C ATOM 864 CG ARG A 136 -6.421 -12.272 4.714 1.00 0.00 C ATOM 865 CD ARG A 136 -6.290 -11.663 6.107 1.00 0.00 C ATOM 866 NE ARG A 136 -7.637 -11.435 6.678 1.00 0.00 N ATOM 867 CZ ARG A 136 -8.422 -10.370 6.457 1.00 0.00 C ATOM 868 NH1 ARG A 136 -7.973 -9.277 5.856 1.00 0.00 N ATOM 869 NH2 ARG A 136 -9.638 -10.317 6.971 1.00 0.00 N ATOM 0 H ARG A 136 -3.553 -12.156 1.306 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.852 -13.486 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.459 -13.134 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.522 -11.410 4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -7.108 -11.674 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -6.850 -13.271 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.718 -12.328 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.743 -10.722 6.054 1.00 0.00 H new ATOM 0 HE ARG A 136 -8.003 -12.157 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.003 -9.228 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.598 -8.485 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -9.985 -11.089 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -10.229 -9.504 6.799 1.00 0.00 H new ATOM 870 N THR A 137 -4.951 -10.425 1.503 1.00 0.00 N ATOM 871 CA THR A 137 -5.291 -9.130 0.888 1.00 0.00 C ATOM 872 C THR A 137 -5.539 -9.201 -0.619 1.00 0.00 C ATOM 873 O THR A 137 -4.763 -8.700 -1.447 1.00 0.00 O ATOM 874 CB THR A 137 -4.182 -8.118 1.209 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.923 -8.788 1.291 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.515 -7.322 2.469 1.00 0.00 C ATOM 0 H THR A 137 -3.951 -10.525 1.675 1.00 0.00 H new ATOM 0 HA THR A 137 -6.240 -8.811 1.319 1.00 0.00 H new ATOM 0 HB THR A 137 -4.111 -7.390 0.401 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.781 -9.318 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.713 -6.613 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.449 -6.781 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.620 -8.004 3.313 1.00 0.00 H new ATOM 877 N HIS A 138 -6.668 -9.805 -0.939 1.00 0.00 N ATOM 878 CA HIS A 138 -7.162 -9.928 -2.315 1.00 0.00 C ATOM 879 C HIS A 138 -8.464 -9.147 -2.532 1.00 0.00 C ATOM 880 O HIS A 138 -9.085 -8.668 -1.589 1.00 0.00 O ATOM 881 CB HIS A 138 -7.308 -11.419 -2.677 1.00 0.00 C ATOM 882 CG HIS A 138 -8.246 -12.185 -1.723 1.00 0.00 C ATOM 883 ND1 HIS A 138 -9.525 -11.907 -1.517 1.00 0.00 N ATOM 884 CD2 HIS A 138 -7.912 -13.211 -0.961 1.00 0.00 C ATOM 885 CE1 HIS A 138 -9.994 -12.752 -0.604 1.00 0.00 C ATOM 886 NE2 HIS A 138 -8.996 -13.563 -0.269 1.00 0.00 N ATOM 0 H HIS A 138 -7.283 -10.233 -0.247 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.433 -9.478 -2.989 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.687 -11.504 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.324 -11.888 -2.663 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -10.058 -11.171 -1.980 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -6.940 -13.679 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -10.999 -12.775 -0.208 1.00 0.00 H new ATOM 887 N TYR A 139 -8.722 -8.799 -3.797 1.00 0.00 N ATOM 888 CA TYR A 139 -10.004 -8.211 -4.223 1.00 0.00 C ATOM 889 C TYR A 139 -11.248 -8.768 -3.522 1.00 0.00 C ATOM 890 O TYR A 139 -11.336 -9.978 -3.293 1.00 0.00 O ATOM 891 CB TYR A 139 -10.171 -8.310 -5.739 1.00 0.00 C ATOM 892 CG TYR A 139 -10.128 -6.961 -6.475 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.365 -5.740 -5.784 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.760 -6.968 -7.831 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.174 -4.525 -6.452 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.576 -5.747 -8.503 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.782 -4.539 -7.809 1.00 0.00 C ATOM 898 OH TYR A 139 -9.667 -3.365 -8.478 1.00 0.00 O ATOM 0 H TYR A 139 -8.051 -8.915 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.940 -7.168 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.385 -8.952 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -11.121 -8.798 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.689 -5.751 -4.754 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -9.620 -7.903 -8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.324 -3.588 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.280 -5.735 -9.541 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.551 -2.952 -8.567 1.00 0.00 H new ATOM 899 N GLY A 140 -11.928 -7.831 -2.880 1.00 0.00 N ATOM 900 CA GLY A 140 -13.154 -8.114 -2.091 1.00 0.00 C ATOM 901 C GLY A 140 -12.941 -7.677 -0.642 1.00 0.00 C ATOM 902 O GLY A 140 -13.833 -7.110 -0.012 1.00 0.00 O ATOM 0 H GLY A 140 -11.659 -6.847 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -14.005 -7.585 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.387 -9.178 -2.130 1.00 0.00 H new ATOM 903 N GLN A 141 -11.699 -7.840 -0.182 1.00 0.00 N ATOM 904 CA GLN A 141 -11.254 -7.340 1.127 1.00 0.00 C ATOM 905 C GLN A 141 -11.227 -5.824 1.169 1.00 0.00 C ATOM 906 O GLN A 141 -10.479 -5.139 0.451 1.00 0.00 O ATOM 907 CB GLN A 141 -9.862 -7.866 1.451 1.00 0.00 C ATOM 908 CG GLN A 141 -9.834 -9.397 1.586 1.00 0.00 C ATOM 909 CD GLN A 141 -10.165 -9.874 3.002 1.00 0.00 C ATOM 910 OE1 GLN A 141 -11.060 -9.421 3.698 1.00 0.00 O ATOM 911 NE2 GLN A 141 -9.400 -10.838 3.449 1.00 0.00 N ATOM 0 H GLN A 141 -10.969 -8.323 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.970 -7.697 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -9.169 -7.560 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -9.513 -7.415 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -10.547 -9.832 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -8.847 -9.764 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -8.654 -11.211 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -9.550 -11.216 4.385 1.00 0.00 H new ATOM 912 N LYS A 142 -11.835 -5.415 2.258 1.00 0.00 N ATOM 913 CA LYS A 142 -11.931 -4.019 2.734 1.00 0.00 C ATOM 914 C LYS A 142 -10.654 -3.617 3.493 1.00 0.00 C ATOM 915 O LYS A 142 -10.614 -3.200 4.650 1.00 0.00 O ATOM 916 CB LYS A 142 -13.182 -3.876 3.582 1.00 0.00 C ATOM 917 CG LYS A 142 -14.403 -4.262 2.748 1.00 0.00 C ATOM 918 CD LYS A 142 -15.659 -4.011 3.562 1.00 0.00 C ATOM 919 CE LYS A 142 -16.877 -4.438 2.764 1.00 0.00 C ATOM 920 NZ LYS A 142 -18.065 -3.960 3.487 1.00 0.00 N ATOM 0 H LYS A 142 -12.308 -6.068 2.883 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.013 -3.336 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -13.113 -4.513 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.279 -2.850 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.429 -3.679 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.345 -5.312 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.614 -4.565 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -15.733 -2.954 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -16.844 -4.018 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -16.904 -5.522 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -18.922 -4.236 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -18.086 -4.382 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -18.028 -2.924 3.569 1.00 0.00 H new ATOM 921 N ALA A 143 -9.602 -3.980 2.800 1.00 0.00 N ATOM 922 CA ALA A 143 -8.198 -3.799 3.174 1.00 0.00 C ATOM 923 C ALA A 143 -7.447 -3.064 2.059 1.00 0.00 C ATOM 924 O ALA A 143 -6.876 -1.997 2.285 1.00 0.00 O ATOM 925 CB ALA A 143 -7.564 -5.153 3.467 1.00 0.00 C ATOM 0 H ALA A 143 -9.698 -4.442 1.896 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.138 -3.191 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.519 -5.013 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.096 -5.634 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.622 -5.782 2.579 1.00 0.00 H new ATOM 926 N ILE A 144 -7.635 -3.542 0.827 1.00 0.00 N ATOM 927 CA ILE A 144 -6.895 -3.086 -0.372 1.00 0.00 C ATOM 928 C ILE A 144 -7.445 -1.840 -1.085 1.00 0.00 C ATOM 929 O ILE A 144 -6.735 -1.218 -1.873 1.00 0.00 O ATOM 930 CB ILE A 144 -6.780 -4.279 -1.352 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.138 -4.724 -1.884 1.00 0.00 C ATOM 932 CG2 ILE A 144 -5.959 -5.387 -0.667 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.964 -5.570 -3.136 1.00 0.00 C ATOM 0 H ILE A 144 -8.317 -4.272 0.621 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.921 -2.753 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.246 -3.981 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.665 -5.296 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.752 -3.852 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -5.865 -6.239 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.967 -5.007 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.463 -5.701 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.942 -5.880 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.456 -4.985 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.369 -6.452 -2.899 1.00 0.00 H new ATOM 934 N LEU A 145 -8.703 -1.500 -0.803 1.00 0.00 N ATOM 935 CA LEU A 145 -9.486 -0.476 -1.526 1.00 0.00 C ATOM 936 C LEU A 145 -9.182 0.951 -1.060 1.00 0.00 C ATOM 937 O LEU A 145 -9.734 1.427 -0.071 1.00 0.00 O ATOM 938 CB LEU A 145 -10.975 -0.791 -1.330 1.00 0.00 C ATOM 939 CG LEU A 145 -11.352 -2.221 -1.721 1.00 0.00 C ATOM 940 CD1 LEU A 145 -12.603 -2.653 -0.950 1.00 0.00 C ATOM 941 CD2 LEU A 145 -11.537 -2.370 -3.227 1.00 0.00 C ATOM 0 H LEU A 145 -9.228 -1.937 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.209 -0.514 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.239 -0.627 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.567 -0.093 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.529 -2.882 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -12.869 -3.672 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -12.403 -2.612 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -13.428 -1.983 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -11.804 -3.401 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -12.332 -1.704 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.608 -2.112 -3.735 1.00 0.00 H new ATOM 942 N PHE A 146 -8.228 1.581 -1.747 1.00 0.00 N ATOM 943 CA PHE A 146 -7.801 2.966 -1.458 1.00 0.00 C ATOM 944 C PHE A 146 -8.339 4.012 -2.425 1.00 0.00 C ATOM 945 O PHE A 146 -8.675 3.700 -3.558 1.00 0.00 O ATOM 946 CB PHE A 146 -6.279 3.130 -1.433 1.00 0.00 C ATOM 947 CG PHE A 146 -5.520 2.144 -0.543 1.00 0.00 C ATOM 948 CD1 PHE A 146 -6.058 1.677 0.682 1.00 0.00 C ATOM 949 CD2 PHE A 146 -4.441 1.487 -1.160 1.00 0.00 C ATOM 950 CE1 PHE A 146 -5.560 0.484 1.241 1.00 0.00 C ATOM 951 CE2 PHE A 146 -3.936 0.314 -0.583 1.00 0.00 C ATOM 952 CZ PHE A 146 -4.509 -0.191 0.599 1.00 0.00 C ATOM 0 H PHE A 146 -7.724 1.151 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.228 3.140 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.905 3.033 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -6.046 4.142 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -6.841 2.229 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.007 1.881 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.982 0.092 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -3.108 -0.202 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 146 -4.134 -1.113 1.019 1.00 0.00 H new ATOM 953 N LEU A 147 -8.367 5.260 -1.958 1.00 0.00 N ATOM 954 CA LEU A 147 -8.755 6.407 -2.797 1.00 0.00 C ATOM 955 C LEU A 147 -7.653 7.477 -2.922 1.00 0.00 C ATOM 956 O LEU A 147 -7.477 8.319 -2.035 1.00 0.00 O ATOM 957 CB LEU A 147 -10.035 7.098 -2.300 1.00 0.00 C ATOM 958 CG LEU A 147 -11.234 6.158 -2.289 1.00 0.00 C ATOM 959 CD1 LEU A 147 -11.365 5.552 -0.888 1.00 0.00 C ATOM 960 CD2 LEU A 147 -12.506 6.935 -2.638 1.00 0.00 C ATOM 0 H LEU A 147 -8.125 5.509 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.931 5.966 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.870 7.484 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -10.254 7.954 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 147 -11.094 5.367 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -12.220 4.876 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -10.458 4.999 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -11.511 6.349 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -13.360 6.258 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.662 7.726 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.403 7.375 -3.630 1.00 0.00 H new ATOM 961 N PRO A 148 -6.836 7.365 -3.978 1.00 0.00 N ATOM 962 CA PRO A 148 -6.093 8.513 -4.520 1.00 0.00 C ATOM 963 C PRO A 148 -7.098 9.476 -5.166 1.00 0.00 C ATOM 964 O PRO A 148 -7.735 9.171 -6.183 1.00 0.00 O ATOM 965 CB PRO A 148 -5.130 7.940 -5.552 1.00 0.00 C ATOM 966 CG PRO A 148 -4.852 6.540 -5.002 1.00 0.00 C ATOM 967 CD PRO A 148 -6.188 6.108 -4.380 1.00 0.00 C ATOM 0 HA PRO A 148 -5.542 9.065 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.575 7.905 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.219 8.533 -5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.541 5.856 -5.792 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.054 6.555 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -6.799 5.559 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.032 5.451 -3.524 1.00 0.00 H new ATOM 968 N LEU A 149 -7.377 10.500 -4.386 1.00 0.00 N ATOM 969 CA LEU A 149 -8.207 11.636 -4.819 1.00 0.00 C ATOM 970 C LEU A 149 -7.339 12.872 -5.062 1.00 0.00 C ATOM 971 O LEU A 149 -6.395 13.122 -4.311 1.00 0.00 O ATOM 972 CB LEU A 149 -9.298 11.951 -3.784 1.00 0.00 C ATOM 973 CG LEU A 149 -10.465 10.967 -3.892 1.00 0.00 C ATOM 974 CD1 LEU A 149 -11.334 11.051 -2.637 1.00 0.00 C ATOM 975 CD2 LEU A 149 -11.303 11.214 -5.153 1.00 0.00 C ATOM 0 H LEU A 149 -7.039 10.580 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 149 -8.694 11.357 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -8.874 11.908 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -9.661 12.968 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 149 -10.053 9.961 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -12.163 10.348 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -10.734 10.802 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -11.726 12.063 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -12.121 10.495 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -11.709 12.225 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -10.675 11.098 -6.036 1.00 0.00 H new ATOM 976 N PRO A 150 -7.578 13.547 -6.190 1.00 0.00 N ATOM 977 CA PRO A 150 -6.965 14.864 -6.465 1.00 0.00 C ATOM 978 C PRO A 150 -7.351 15.881 -5.388 1.00 0.00 C ATOM 979 O PRO A 150 -8.438 15.854 -4.818 1.00 0.00 O ATOM 980 CB PRO A 150 -7.510 15.280 -7.823 1.00 0.00 C ATOM 981 CG PRO A 150 -7.650 13.931 -8.533 1.00 0.00 C ATOM 982 CD PRO A 150 -8.179 13.009 -7.430 1.00 0.00 C ATOM 0 HA PRO A 150 -5.876 14.814 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -8.465 15.798 -7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -6.829 15.950 -8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.340 13.989 -9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -6.695 13.582 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -9.268 13.026 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -7.883 11.974 -7.600 1.00 0.00 H new ATOM 983 N VAL A 151 -6.388 16.752 -5.160 1.00 0.00 N ATOM 984 CA VAL A 151 -6.509 17.833 -4.159 1.00 0.00 C ATOM 985 C VAL A 151 -7.242 19.066 -4.720 1.00 0.00 C ATOM 986 O VAL A 151 -6.671 20.076 -5.135 1.00 0.00 O ATOM 987 CB VAL A 151 -5.136 18.100 -3.513 1.00 0.00 C ATOM 988 CG1 VAL A 151 -4.067 18.626 -4.493 1.00 0.00 C ATOM 989 CG2 VAL A 151 -5.287 19.017 -2.296 1.00 0.00 C ATOM 0 H VAL A 151 -5.495 16.744 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 151 -7.160 17.515 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 151 -4.761 17.131 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.131 18.788 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -3.910 17.895 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -4.404 19.567 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -4.308 19.196 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -5.723 19.966 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -5.938 18.543 -1.562 1.00 0.00 H new ATOM 990 N SER A 152 -8.552 18.924 -4.638 1.00 0.00 N ATOM 991 CA SER A 152 -9.567 19.889 -5.091 1.00 0.00 C ATOM 992 C SER A 152 -10.905 19.447 -4.455 1.00 0.00 C ATOM 993 O SER A 152 -10.900 18.690 -3.478 1.00 0.00 O ATOM 994 CB SER A 152 -9.627 19.842 -6.620 1.00 0.00 C ATOM 995 OG SER A 152 -10.457 20.899 -7.116 1.00 0.00 O ATOM 0 H SER A 152 -8.972 18.088 -4.232 1.00 0.00 H new ATOM 0 HA SER A 152 -9.340 20.914 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 152 -8.623 19.934 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 152 -10.019 18.879 -6.946 1.00 0.00 H new ATOM 0 HG SER A 152 -10.486 20.860 -8.095 1.00 0.00 H new ATOM 996 N SER A 153 -12.025 19.909 -4.998 1.00 0.00 N ATOM 997 CA SER A 153 -13.383 19.505 -4.567 1.00 0.00 C ATOM 998 C SER A 153 -13.653 18.051 -4.981 1.00 0.00 C ATOM 999 O SER A 153 -14.042 17.744 -6.112 1.00 0.00 O ATOM 1000 CB SER A 153 -14.415 20.466 -5.167 1.00 0.00 C ATOM 1001 OG SER A 153 -14.318 20.461 -6.591 1.00 0.00 O ATOM 0 H SER A 153 -12.029 20.585 -5.762 1.00 0.00 H new ATOM 0 HA SER A 153 -13.460 19.559 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 153 -15.419 20.171 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 153 -14.249 21.474 -4.787 1.00 0.00 H new ATOM 0 HG SER A 153 -14.303 19.536 -6.915 1.00 0.00 H new ATOM 1002 N ASP A 154 -13.198 17.176 -4.094 1.00 0.00 N ATOM 1003 CA ASP A 154 -13.245 15.699 -4.264 1.00 0.00 C ATOM 1004 C ASP A 154 -13.702 14.944 -3.001 1.00 0.00 C ATOM 1005 O ASP A 154 -13.455 15.473 -1.897 1.00 0.00 O ATOM 1006 CB ASP A 154 -11.863 15.211 -4.700 1.00 0.00 C ATOM 1007 CG ASP A 154 -11.506 15.601 -6.137 1.00 0.00 C ATOM 1008 OD1 ASP A 154 -10.986 16.725 -6.329 1.00 0.00 O ATOM 1009 OD2 ASP A 154 -11.725 14.742 -7.022 1.00 0.00 O ATOM 1010 OXT ASP A 154 -14.246 13.830 -3.170 1.00 0.00 O ATOM 0 H ASP A 154 -12.774 17.462 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.995 15.483 -5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -11.112 15.619 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -11.822 14.126 -4.605 1.00 0.00 H new TER 1011 ASP A 154