USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1069 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 133 TYR OH : rot 180:sc= 0.388 USER MOD Set 1.2: A 135 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 130 HIS : no HE2:sc= -0.225 X(o=-0.23,f=-0.081) USER MOD Set 2.2: A 139 HIS : no HD1:sc=-0.00396 X(o=-0.23,f=-0.081) USER MOD Set 3.1: A 84 CYS SG : rot -151:sc= -1.42! USER MOD Set 3.2: A 115 TYR OH : rot 130:sc= -0.384 USER MOD Set 4.1: A 94 GLN : amide:sc= 0.213 X(o=0.69,f=0.42) USER MOD Set 4.2: A 109 SER OG : rot 7:sc= 0.481 USER MOD Set 5.1: A 91 THR OG1 : rot 138:sc= 1.17 USER MOD Set 5.2: A 116 THR OG1 : rot 176:sc= 1.19 USER MOD Set 6.1: A 89 GLN : amide:sc= 0.768 K(o=0.77,f=-3.4!) USER MOD Set 6.2: A 117 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 132 SER OG : rot 180:sc= -0.149 USER MOD Set 8.1: A 7 TYR OH : rot 75:sc= 0.556 USER MOD Set 8.2: A 88 TYR OH : rot 28:sc= 1.39 USER MOD Single : A 3 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=-0.045) USER MOD Single : A 9 THR OG1 : rot -126:sc= 1.18 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.17) USER MOD Single : A 14 GLN : amide:sc= -4.83! C(o=-4.8!,f=-5.9!) USER MOD Single : A 16 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.0063) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -135:sc= -0.168 (180deg=-0.575) USER MOD Single : A 23 HIS : no HE2:sc= -0.219 X(o=-0.22,f=-0.38) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -0.0324 K(o=-0.032,f=-5.3!) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.72 USER MOD Single : A 36 THR OG1 : rot 150:sc= 0.365 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 48 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0659 K(o=-0.066,f=-0.92) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.048 USER MOD Single : A 68 TYR OH : rot 91:sc= 1.28 USER MOD Single : A 73 GLN : amide:sc= 0.459 K(o=0.46,f=-5.4!) USER MOD Single : A 74 MET CE :methyl 166:sc= -0.707 (180deg=-1.22) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -179:sc= -0.306 (180deg=-0.309) USER MOD Single : A 96 GLN : amide:sc= 0.0134 K(o=0.013,f=-0.79) USER MOD Single : A 111 GLN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.399 USER MOD Single : A 119 THR OG1 : rot -37:sc= 0.115 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0114 K(o=-0.011,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.569 -3.261 6.702 1.00 0.00 N ATOM 19 CA ALA A 2 -13.668 -2.117 6.744 1.00 0.00 C ATOM 20 C ALA A 2 -13.129 -1.917 5.329 1.00 0.00 C ATOM 21 O ALA A 2 -13.461 -2.692 4.428 1.00 0.00 O ATOM 22 CB ALA A 2 -12.543 -2.387 7.745 1.00 0.00 C ATOM 0 HA ALA A 2 -14.180 -1.212 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.870 -1.530 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.968 -2.550 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.988 -3.274 7.438 1.00 0.00 H new ATOM 28 N HIS A 3 -12.301 -0.899 5.114 1.00 0.00 N ATOM 29 CA HIS A 3 -11.722 -0.628 3.807 1.00 0.00 C ATOM 30 C HIS A 3 -10.238 -0.346 3.979 1.00 0.00 C ATOM 31 O HIS A 3 -9.809 0.209 5.000 1.00 0.00 O ATOM 32 CB HIS A 3 -12.451 0.542 3.131 1.00 0.00 C ATOM 33 CG HIS A 3 -13.959 0.410 3.130 1.00 0.00 C ATOM 34 ND1 HIS A 3 -14.822 1.058 3.982 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.716 -0.337 2.270 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.070 0.681 3.664 1.00 0.00 C ATOM 37 NE2 HIS A 3 -16.061 -0.186 2.637 1.00 0.00 N ATOM 0 H HIS A 3 -12.015 -0.242 5.840 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.840 -1.495 3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.178 1.468 3.637 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.103 0.627 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.344 -0.937 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.961 1.028 4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.868 -0.641 2.211 1.00 0.00 H new ATOM 45 N ILE A 4 -9.444 -0.713 2.981 1.00 0.00 N ATOM 46 CA ILE A 4 -8.058 -0.295 2.848 1.00 0.00 C ATOM 47 C ILE A 4 -7.850 0.218 1.426 1.00 0.00 C ATOM 48 O ILE A 4 -8.760 0.210 0.591 1.00 0.00 O ATOM 49 CB ILE A 4 -7.046 -1.406 3.222 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.089 -2.583 2.228 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.260 -1.870 4.665 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.217 -3.767 2.654 1.00 0.00 C ATOM 0 H ILE A 4 -9.755 -1.324 2.225 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.863 0.504 3.563 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.045 -0.980 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.120 -2.920 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.763 -2.234 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.539 -2.651 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.123 -1.027 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.271 -2.263 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.293 -4.561 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.179 -3.444 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.557 -4.141 3.620 1.00 0.00 H new ATOM 64 N PHE A 5 -6.630 0.650 1.150 1.00 0.00 N ATOM 65 CA PHE A 5 -6.180 1.118 -0.142 1.00 0.00 C ATOM 66 C PHE A 5 -4.787 0.529 -0.357 1.00 0.00 C ATOM 67 O PHE A 5 -3.969 0.526 0.571 1.00 0.00 O ATOM 68 CB PHE A 5 -6.211 2.648 -0.107 1.00 0.00 C ATOM 69 CG PHE A 5 -5.693 3.330 -1.347 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.527 3.433 -2.470 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.394 3.871 -1.382 1.00 0.00 C ATOM 72 CE1 PHE A 5 -6.076 4.096 -3.618 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.942 4.533 -2.535 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.792 4.664 -3.641 1.00 0.00 C ATOM 0 H PHE A 5 -5.896 0.684 1.857 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.806 0.805 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.238 2.971 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.625 2.988 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.517 3.001 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.746 3.777 -0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.715 4.170 -4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.942 4.940 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.458 5.204 -4.515 1.00 0.00 H new ATOM 84 N VAL A 6 -4.523 -0.039 -1.535 1.00 0.00 N ATOM 85 CA VAL A 6 -3.179 -0.506 -1.867 1.00 0.00 C ATOM 86 C VAL A 6 -2.311 0.722 -2.147 1.00 0.00 C ATOM 87 O VAL A 6 -2.709 1.592 -2.919 1.00 0.00 O ATOM 88 CB VAL A 6 -3.177 -1.485 -3.064 1.00 0.00 C ATOM 89 CG1 VAL A 6 -3.867 -2.805 -2.721 1.00 0.00 C ATOM 90 CG2 VAL A 6 -3.819 -0.937 -4.341 1.00 0.00 C ATOM 0 H VAL A 6 -5.217 -0.185 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.775 -1.070 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.117 -1.640 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.844 -3.464 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.348 -3.282 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.902 -2.612 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.772 -1.693 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.861 -0.683 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.283 -0.045 -4.664 1.00 0.00 H new ATOM 100 N TYR A 7 -1.093 0.770 -1.601 1.00 0.00 N ATOM 101 CA TYR A 7 -0.082 1.710 -2.085 1.00 0.00 C ATOM 102 C TYR A 7 0.490 1.279 -3.450 1.00 0.00 C ATOM 103 O TYR A 7 1.277 2.008 -4.051 1.00 0.00 O ATOM 104 CB TYR A 7 1.001 1.920 -1.020 1.00 0.00 C ATOM 105 CG TYR A 7 1.668 0.670 -0.471 1.00 0.00 C ATOM 106 CD1 TYR A 7 2.763 0.091 -1.138 1.00 0.00 C ATOM 107 CD2 TYR A 7 1.239 0.125 0.753 1.00 0.00 C ATOM 108 CE1 TYR A 7 3.510 -0.936 -0.535 1.00 0.00 C ATOM 109 CE2 TYR A 7 1.916 -0.974 1.304 1.00 0.00 C ATOM 110 CZ TYR A 7 3.074 -1.494 0.686 1.00 0.00 C ATOM 111 OH TYR A 7 3.749 -2.523 1.272 1.00 0.00 O ATOM 0 H TYR A 7 -0.786 0.175 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.557 2.676 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.775 2.561 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.557 2.464 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.033 0.439 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.391 0.551 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.414 -1.296 -1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.547 -1.427 2.212 1.00 0.00 H new ATOM 0 HH TYR A 7 4.574 -2.184 1.678 1.00 0.00 H new ATOM 121 N GLY A 8 0.073 0.123 -3.979 1.00 0.00 N ATOM 122 CA GLY A 8 0.411 -0.384 -5.307 1.00 0.00 C ATOM 123 C GLY A 8 0.760 -1.871 -5.294 1.00 0.00 C ATOM 124 O GLY A 8 0.995 -2.455 -6.341 1.00 0.00 O ATOM 0 H GLY A 8 -0.538 -0.512 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.429 -0.217 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.255 0.180 -5.704 1.00 0.00 H new ATOM 128 N THR A 9 0.823 -2.504 -4.126 1.00 0.00 N ATOM 129 CA THR A 9 1.393 -3.830 -3.913 1.00 0.00 C ATOM 130 C THR A 9 0.462 -4.998 -4.209 1.00 0.00 C ATOM 131 O THR A 9 0.943 -6.130 -4.210 1.00 0.00 O ATOM 132 CB THR A 9 1.914 -3.895 -2.463 1.00 0.00 C ATOM 133 OG1 THR A 9 1.225 -2.955 -1.647 1.00 0.00 O ATOM 134 CG2 THR A 9 3.409 -3.574 -2.475 1.00 0.00 C ATOM 0 H THR A 9 0.463 -2.089 -3.266 1.00 0.00 H new ATOM 0 HA THR A 9 2.197 -3.951 -4.639 1.00 0.00 H new ATOM 0 HB THR A 9 1.744 -4.891 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.874 -2.382 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.798 -3.615 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.933 -4.303 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.563 -2.575 -2.883 1.00 0.00 H new ATOM 142 N LEU A 10 -0.826 -4.767 -4.464 1.00 0.00 N ATOM 143 CA LEU A 10 -1.785 -5.826 -4.748 1.00 0.00 C ATOM 144 C LEU A 10 -2.721 -5.328 -5.850 1.00 0.00 C ATOM 145 O LEU A 10 -3.917 -5.186 -5.617 1.00 0.00 O ATOM 146 CB LEU A 10 -2.547 -6.284 -3.479 1.00 0.00 C ATOM 147 CG LEU A 10 -1.688 -6.836 -2.320 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.239 -5.751 -1.334 1.00 0.00 C ATOM 149 CD2 LEU A 10 -2.480 -7.870 -1.518 1.00 0.00 C ATOM 0 H LEU A 10 -1.233 -3.832 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.261 -6.717 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.123 -5.438 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.262 -7.053 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.808 -7.274 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.640 -6.203 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.643 -5.005 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.115 -5.272 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.862 -8.250 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.375 -7.403 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.768 -8.694 -2.171 1.00 0.00 H new ATOM 161 N LYS A 11 -2.179 -4.964 -7.023 1.00 0.00 N ATOM 162 CA LYS A 11 -2.990 -4.517 -8.151 1.00 0.00 C ATOM 163 C LYS A 11 -2.480 -5.061 -9.485 1.00 0.00 C ATOM 164 O LYS A 11 -3.150 -5.910 -10.065 1.00 0.00 O ATOM 165 CB LYS A 11 -3.150 -2.990 -8.092 1.00 0.00 C ATOM 166 CG LYS A 11 -3.566 -2.341 -9.426 1.00 0.00 C ATOM 167 CD LYS A 11 -4.898 -2.814 -10.008 1.00 0.00 C ATOM 168 CE LYS A 11 -5.128 -2.159 -11.376 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.460 -0.727 -11.276 1.00 0.00 N ATOM 0 H LYS A 11 -1.176 -4.973 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.992 -4.940 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.894 -2.744 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.207 -2.550 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.616 -1.262 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.783 -2.530 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.896 -3.899 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.713 -2.559 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.232 -2.278 -11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.935 -2.679 -11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.753 -0.373 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.237 -0.597 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.625 -0.199 -10.952 1.00 0.00 H new ATOM 183 N ARG A 12 -1.364 -4.560 -10.027 1.00 0.00 N ATOM 184 CA ARG A 12 -0.980 -4.870 -11.407 1.00 0.00 C ATOM 185 C ARG A 12 -0.605 -6.343 -11.504 1.00 0.00 C ATOM 186 O ARG A 12 -1.254 -7.107 -12.216 1.00 0.00 O ATOM 187 CB ARG A 12 0.143 -3.943 -11.898 1.00 0.00 C ATOM 188 CG ARG A 12 -0.306 -2.530 -12.304 1.00 0.00 C ATOM 189 CD ARG A 12 -0.929 -2.425 -13.706 1.00 0.00 C ATOM 190 NE ARG A 12 -0.938 -1.029 -14.189 1.00 0.00 N ATOM 191 CZ ARG A 12 -1.339 -0.598 -15.396 1.00 0.00 C ATOM 192 NH1 ARG A 12 -1.738 -1.443 -16.343 1.00 0.00 N ATOM 193 NH2 ARG A 12 -1.347 0.707 -15.648 1.00 0.00 N ATOM 0 H ARG A 12 -0.717 -3.944 -9.536 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.827 -4.689 -12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.892 -3.857 -11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.632 -4.411 -12.752 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.030 -2.171 -11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.555 -1.863 -12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.369 -3.049 -14.402 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.948 -2.810 -13.682 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.605 -0.318 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.745 -2.447 -16.161 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.037 -1.087 -17.251 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.051 1.367 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.649 1.048 -16.560 1.00 0.00 H new ATOM 207 N GLY A 13 0.414 -6.739 -10.749 1.00 0.00 N ATOM 208 CA GLY A 13 0.877 -8.117 -10.703 1.00 0.00 C ATOM 209 C GLY A 13 2.013 -8.265 -9.702 1.00 0.00 C ATOM 210 O GLY A 13 2.997 -8.950 -9.965 1.00 0.00 O ATOM 0 H GLY A 13 0.944 -6.107 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.053 -8.775 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.214 -8.427 -11.692 1.00 0.00 H new ATOM 214 N GLN A 14 1.992 -7.494 -8.613 1.00 0.00 N ATOM 215 CA GLN A 14 3.076 -7.438 -7.645 1.00 0.00 C ATOM 216 C GLN A 14 3.200 -8.780 -6.933 1.00 0.00 C ATOM 217 O GLN A 14 2.181 -9.445 -6.750 1.00 0.00 O ATOM 218 CB GLN A 14 2.740 -6.312 -6.676 1.00 0.00 C ATOM 219 CG GLN A 14 3.095 -4.947 -7.262 1.00 0.00 C ATOM 220 CD GLN A 14 2.303 -4.606 -8.526 1.00 0.00 C ATOM 221 OE1 GLN A 14 1.088 -4.433 -8.501 1.00 0.00 O ATOM 222 NE2 GLN A 14 2.951 -4.637 -9.677 1.00 0.00 N ATOM 0 H GLN A 14 1.208 -6.884 -8.380 1.00 0.00 H new ATOM 0 HA GLN A 14 4.037 -7.243 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.677 -6.341 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.282 -6.460 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.914 -4.179 -6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.160 -4.924 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.961 -4.781 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.442 -4.517 -10.552 1.00 0.00 H new ATOM 231 N PRO A 15 4.389 -9.124 -6.402 1.00 0.00 N ATOM 232 CA PRO A 15 4.650 -10.452 -5.843 1.00 0.00 C ATOM 233 C PRO A 15 3.780 -10.780 -4.624 1.00 0.00 C ATOM 234 O PRO A 15 3.771 -11.913 -4.147 1.00 0.00 O ATOM 235 CB PRO A 15 6.141 -10.456 -5.489 1.00 0.00 C ATOM 236 CG PRO A 15 6.517 -8.985 -5.327 1.00 0.00 C ATOM 237 CD PRO A 15 5.555 -8.258 -6.262 1.00 0.00 C ATOM 0 HA PRO A 15 4.395 -11.227 -6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.326 -11.013 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.731 -10.929 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.399 -8.653 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.556 -8.805 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.272 -7.288 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.020 -8.072 -7.230 1.00 0.00 H new ATOM 245 N ASN A 16 3.072 -9.772 -4.114 1.00 0.00 N ATOM 246 CA ASN A 16 2.244 -9.796 -2.930 1.00 0.00 C ATOM 247 C ASN A 16 0.775 -9.959 -3.296 1.00 0.00 C ATOM 248 O ASN A 16 0.021 -10.362 -2.426 1.00 0.00 O ATOM 249 CB ASN A 16 2.395 -8.478 -2.148 1.00 0.00 C ATOM 250 CG ASN A 16 3.817 -7.950 -2.149 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.691 -8.438 -1.445 1.00 0.00 O ATOM 252 ND2 ASN A 16 4.079 -6.995 -3.032 1.00 0.00 N ATOM 0 H ASN A 16 3.069 -8.854 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 16 2.568 -10.640 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.734 -7.727 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.071 -8.633 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.032 -6.647 -3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.328 -6.609 -3.604 1.00 0.00 H new ATOM 259 N HIS A 17 0.331 -9.652 -4.527 1.00 0.00 N ATOM 260 CA HIS A 17 -1.095 -9.611 -4.883 1.00 0.00 C ATOM 261 C HIS A 17 -1.761 -10.931 -4.506 1.00 0.00 C ATOM 262 O HIS A 17 -2.827 -10.942 -3.887 1.00 0.00 O ATOM 263 CB HIS A 17 -1.265 -9.276 -6.382 1.00 0.00 C ATOM 264 CG HIS A 17 -2.658 -8.899 -6.867 1.00 0.00 C ATOM 265 ND1 HIS A 17 -2.928 -8.208 -8.031 1.00 0.00 N ATOM 266 CD2 HIS A 17 -3.878 -9.214 -6.317 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.260 -8.073 -8.144 1.00 0.00 C ATOM 268 NE2 HIS A 17 -4.881 -8.684 -7.127 1.00 0.00 N ATOM 0 H HIS A 17 0.953 -9.425 -5.303 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.590 -8.820 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.592 -8.452 -6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.930 -10.138 -6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.033 -9.778 -5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.760 -7.546 -8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.888 -8.749 -6.975 1.00 0.00 H new ATOM 276 N LYS A 18 -1.069 -12.042 -4.769 1.00 0.00 N ATOM 277 CA LYS A 18 -1.516 -13.394 -4.508 1.00 0.00 C ATOM 278 C LYS A 18 -2.069 -13.609 -3.098 1.00 0.00 C ATOM 279 O LYS A 18 -2.984 -14.410 -2.949 1.00 0.00 O ATOM 280 CB LYS A 18 -0.382 -14.351 -4.906 1.00 0.00 C ATOM 281 CG LYS A 18 0.899 -14.272 -4.048 1.00 0.00 C ATOM 282 CD LYS A 18 0.893 -15.352 -2.961 1.00 0.00 C ATOM 283 CE LYS A 18 2.259 -15.497 -2.276 1.00 0.00 C ATOM 284 NZ LYS A 18 2.520 -16.897 -1.867 1.00 0.00 N ATOM 0 H LYS A 18 -0.140 -12.012 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.390 -13.611 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.762 -15.372 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.114 -14.154 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.776 -14.394 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.974 -13.287 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.138 -15.108 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.607 -16.307 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.044 -15.164 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.298 -14.849 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.451 -16.957 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.785 -17.207 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.507 -17.512 -2.706 1.00 0.00 H new ATOM 298 N VAL A 19 -1.612 -12.872 -2.078 1.00 0.00 N ATOM 299 CA VAL A 19 -2.137 -13.025 -0.724 1.00 0.00 C ATOM 300 C VAL A 19 -3.639 -12.740 -0.667 1.00 0.00 C ATOM 301 O VAL A 19 -4.370 -13.475 0.000 1.00 0.00 O ATOM 302 CB VAL A 19 -1.350 -12.162 0.285 1.00 0.00 C ATOM 303 CG1 VAL A 19 0.143 -12.506 0.242 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.583 -10.658 0.151 1.00 0.00 C ATOM 0 H VAL A 19 -0.881 -12.166 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.999 -14.067 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.748 -12.418 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.680 -11.887 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.282 -13.557 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.531 -12.319 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.991 -10.130 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.285 -10.331 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.640 -10.438 0.304 1.00 0.00 H new ATOM 314 N MET A 20 -4.133 -11.704 -1.357 1.00 0.00 N ATOM 315 CA MET A 20 -5.549 -11.355 -1.283 1.00 0.00 C ATOM 316 C MET A 20 -6.408 -12.285 -2.142 1.00 0.00 C ATOM 317 O MET A 20 -7.637 -12.219 -2.083 1.00 0.00 O ATOM 318 CB MET A 20 -5.783 -9.875 -1.617 1.00 0.00 C ATOM 319 CG MET A 20 -5.660 -9.486 -3.098 1.00 0.00 C ATOM 320 SD MET A 20 -6.861 -8.240 -3.654 1.00 0.00 S ATOM 321 CE MET A 20 -6.360 -6.831 -2.632 1.00 0.00 C ATOM 0 H MET A 20 -3.577 -11.102 -1.965 1.00 0.00 H new ATOM 0 HA MET A 20 -5.867 -11.501 -0.251 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.780 -9.599 -1.272 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.072 -9.278 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.654 -9.108 -3.279 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.778 -10.382 -3.707 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.245 -6.357 -2.207 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.712 -7.178 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.821 -6.109 -3.246 1.00 0.00 H new ATOM 331 N LEU A 21 -5.775 -13.137 -2.953 1.00 0.00 N ATOM 332 CA LEU A 21 -6.423 -14.112 -3.821 1.00 0.00 C ATOM 333 C LEU A 21 -6.675 -15.422 -3.068 1.00 0.00 C ATOM 334 O LEU A 21 -7.136 -16.387 -3.671 1.00 0.00 O ATOM 335 CB LEU A 21 -5.588 -14.344 -5.094 1.00 0.00 C ATOM 336 CG LEU A 21 -5.155 -13.064 -5.836 1.00 0.00 C ATOM 337 CD1 LEU A 21 -4.369 -13.420 -7.100 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.334 -12.154 -6.205 1.00 0.00 C ATOM 0 H LEU A 21 -4.758 -13.164 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.391 -13.716 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.695 -14.909 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.165 -14.965 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.522 -12.509 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.071 -12.505 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.481 -13.990 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.995 -14.019 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.963 -11.271 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.022 -12.695 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.856 -11.849 -5.298 1.00 0.00 H new ATOM 350 N ASP A 22 -6.390 -15.470 -1.767 1.00 0.00 N ATOM 351 CA ASP A 22 -6.687 -16.581 -0.877 1.00 0.00 C ATOM 352 C ASP A 22 -7.699 -16.053 0.132 1.00 0.00 C ATOM 353 O ASP A 22 -7.329 -15.390 1.103 1.00 0.00 O ATOM 354 CB ASP A 22 -5.424 -17.039 -0.143 1.00 0.00 C ATOM 355 CG ASP A 22 -4.402 -17.780 -1.001 1.00 0.00 C ATOM 356 OD1 ASP A 22 -4.766 -18.813 -1.610 1.00 0.00 O ATOM 357 OD2 ASP A 22 -3.207 -17.397 -1.000 1.00 0.00 O ATOM 0 H ASP A 22 -5.925 -14.699 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.071 -17.435 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.941 -16.165 0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.719 -17.687 0.683 1.00 0.00 H new ATOM 362 N HIS A 23 -8.984 -16.310 -0.095 1.00 0.00 N ATOM 363 CA HIS A 23 -10.071 -15.797 0.745 1.00 0.00 C ATOM 364 C HIS A 23 -9.959 -16.268 2.210 1.00 0.00 C ATOM 365 O HIS A 23 -10.481 -15.620 3.117 1.00 0.00 O ATOM 366 CB HIS A 23 -11.411 -16.181 0.106 1.00 0.00 C ATOM 367 CG HIS A 23 -12.633 -15.734 0.861 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.618 -16.562 1.336 1.00 0.00 N ATOM 369 CD2 HIS A 23 -12.995 -14.448 1.152 1.00 0.00 C ATOM 370 CE1 HIS A 23 -14.571 -15.801 1.885 1.00 0.00 C ATOM 371 NE2 HIS A 23 -14.236 -14.497 1.812 1.00 0.00 N ATOM 0 H HIS A 23 -9.307 -16.885 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.999 -14.710 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.450 -15.760 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.446 -17.265 -0.001 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -13.623 -17.580 1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.431 -13.557 0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.482 -16.178 2.325 1.00 0.00 H new ATOM 379 N SER A 24 -9.232 -17.359 2.459 1.00 0.00 N ATOM 380 CA SER A 24 -8.877 -17.857 3.792 1.00 0.00 C ATOM 381 C SER A 24 -7.876 -16.975 4.551 1.00 0.00 C ATOM 382 O SER A 24 -7.831 -17.027 5.783 1.00 0.00 O ATOM 383 CB SER A 24 -8.323 -19.264 3.712 1.00 0.00 C ATOM 384 OG SER A 24 -9.162 -20.122 2.968 1.00 0.00 O ATOM 0 H SER A 24 -8.860 -17.943 1.710 1.00 0.00 H new ATOM 0 HA SER A 24 -9.811 -17.839 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.334 -19.239 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.199 -19.662 4.719 1.00 0.00 H new ATOM 0 HG SER A 24 -8.769 -21.019 2.938 1.00 0.00 H new ATOM 390 N HIS A 25 -7.062 -16.166 3.862 1.00 0.00 N ATOM 391 CA HIS A 25 -6.338 -15.094 4.540 1.00 0.00 C ATOM 392 C HIS A 25 -7.340 -14.020 4.973 1.00 0.00 C ATOM 393 O HIS A 25 -7.148 -13.391 6.008 1.00 0.00 O ATOM 394 CB HIS A 25 -5.278 -14.469 3.630 1.00 0.00 C ATOM 395 CG HIS A 25 -4.130 -15.357 3.205 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.488 -15.259 1.997 1.00 0.00 N ATOM 397 CD2 HIS A 25 -3.505 -16.349 3.916 1.00 0.00 C ATOM 398 CE1 HIS A 25 -2.529 -16.191 1.955 1.00 0.00 C ATOM 399 NE2 HIS A 25 -2.488 -16.882 3.107 1.00 0.00 N ATOM 0 H HIS A 25 -6.893 -16.233 2.858 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.827 -15.514 5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.775 -14.104 2.731 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.863 -13.600 4.140 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.704 -14.590 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.751 -16.664 4.919 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.877 -16.364 1.111 1.00 0.00 H new ATOM 407 N GLY A 26 -8.419 -13.832 4.210 1.00 0.00 N ATOM 408 CA GLY A 26 -9.526 -12.948 4.510 1.00 0.00 C ATOM 409 C GLY A 26 -10.151 -12.413 3.231 1.00 0.00 C ATOM 410 O GLY A 26 -9.726 -12.731 2.119 1.00 0.00 O ATOM 0 H GLY A 26 -8.542 -14.321 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.277 -13.483 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.178 -12.118 5.125 1.00 0.00 H new ATOM 414 N LEU A 27 -11.185 -11.597 3.390 1.00 0.00 N ATOM 415 CA LEU A 27 -11.916 -10.988 2.292 1.00 0.00 C ATOM 416 C LEU A 27 -11.174 -9.754 1.789 1.00 0.00 C ATOM 417 O LEU A 27 -10.760 -8.921 2.592 1.00 0.00 O ATOM 418 CB LEU A 27 -13.308 -10.644 2.831 1.00 0.00 C ATOM 419 CG LEU A 27 -14.379 -10.163 1.840 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.240 -8.697 1.456 1.00 0.00 C ATOM 421 CD2 LEU A 27 -14.405 -11.001 0.564 1.00 0.00 C ATOM 0 H LEU A 27 -11.545 -11.336 4.308 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.005 -11.661 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.696 -11.529 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.188 -9.871 3.590 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.318 -10.286 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.030 -8.428 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.322 -8.078 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.269 -8.534 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.178 -10.622 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.436 -10.940 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.620 -12.040 0.815 1.00 0.00 H new ATOM 433 N ALA A 28 -11.067 -9.606 0.468 1.00 0.00 N ATOM 434 CA ALA A 28 -10.630 -8.391 -0.214 1.00 0.00 C ATOM 435 C ALA A 28 -11.428 -8.212 -1.509 1.00 0.00 C ATOM 436 O ALA A 28 -11.137 -8.861 -2.515 1.00 0.00 O ATOM 437 CB ALA A 28 -9.131 -8.457 -0.503 1.00 0.00 C ATOM 0 H ALA A 28 -11.292 -10.361 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.812 -7.531 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.818 -7.545 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.584 -8.556 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.920 -9.317 -1.138 1.00 0.00 H new ATOM 443 N ALA A 29 -12.437 -7.343 -1.489 1.00 0.00 N ATOM 444 CA ALA A 29 -13.342 -7.083 -2.599 1.00 0.00 C ATOM 445 C ALA A 29 -13.015 -5.714 -3.190 1.00 0.00 C ATOM 446 O ALA A 29 -12.728 -4.775 -2.447 1.00 0.00 O ATOM 447 CB ALA A 29 -14.784 -7.137 -2.087 1.00 0.00 C ATOM 0 H ALA A 29 -12.652 -6.781 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.226 -7.834 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.470 -6.943 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.986 -8.124 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.924 -6.382 -1.313 1.00 0.00 H new ATOM 453 N PHE A 30 -13.073 -5.605 -4.514 1.00 0.00 N ATOM 454 CA PHE A 30 -12.819 -4.415 -5.322 1.00 0.00 C ATOM 455 C PHE A 30 -13.944 -3.392 -5.117 1.00 0.00 C ATOM 456 O PHE A 30 -14.845 -3.225 -5.940 1.00 0.00 O ATOM 457 CB PHE A 30 -12.654 -4.865 -6.785 1.00 0.00 C ATOM 458 CG PHE A 30 -12.639 -3.776 -7.840 1.00 0.00 C ATOM 459 CD1 PHE A 30 -11.612 -2.815 -7.871 1.00 0.00 C ATOM 460 CD2 PHE A 30 -13.659 -3.741 -8.812 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.597 -1.843 -8.887 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.630 -2.779 -9.833 1.00 0.00 C ATOM 463 CZ PHE A 30 -12.588 -1.839 -9.881 1.00 0.00 C ATOM 0 H PHE A 30 -13.317 -6.407 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.902 -3.910 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.723 -5.427 -6.864 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.464 -5.555 -7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.838 -2.824 -7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.466 -4.457 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.818 -1.095 -8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.408 -2.762 -10.581 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.549 -1.115 -10.681 1.00 0.00 H new ATOM 473 N ARG A 31 -13.894 -2.683 -3.992 1.00 0.00 N ATOM 474 CA ARG A 31 -14.839 -1.632 -3.644 1.00 0.00 C ATOM 475 C ARG A 31 -14.328 -0.324 -4.244 1.00 0.00 C ATOM 476 O ARG A 31 -14.057 0.636 -3.528 1.00 0.00 O ATOM 477 CB ARG A 31 -14.993 -1.620 -2.107 1.00 0.00 C ATOM 478 CG ARG A 31 -16.097 -0.711 -1.539 1.00 0.00 C ATOM 479 CD ARG A 31 -17.507 -1.164 -1.911 1.00 0.00 C ATOM 480 NE ARG A 31 -17.989 -2.329 -1.147 1.00 0.00 N ATOM 481 CZ ARG A 31 -18.976 -3.151 -1.524 1.00 0.00 C ATOM 482 NH1 ARG A 31 -19.541 -3.031 -2.718 1.00 0.00 N ATOM 483 NH2 ARG A 31 -19.400 -4.087 -0.688 1.00 0.00 N ATOM 0 H ARG A 31 -13.177 -2.829 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.836 -1.792 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.185 -2.640 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.042 -1.316 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.008 -0.679 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.943 0.305 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.196 -0.333 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.530 -1.406 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.532 -2.525 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.224 -2.306 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.292 -3.664 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.975 -4.177 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.152 -4.718 -0.967 1.00 0.00 H new ATOM 497 N GLY A 32 -14.235 -0.277 -5.571 1.00 0.00 N ATOM 498 CA GLY A 32 -13.954 0.955 -6.281 1.00 0.00 C ATOM 499 C GLY A 32 -12.467 1.264 -6.422 1.00 0.00 C ATOM 500 O GLY A 32 -11.572 0.484 -6.085 1.00 0.00 O ATOM 0 H GLY A 32 -14.353 -1.090 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.399 0.899 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.439 1.781 -5.760 1.00 0.00 H new ATOM 504 N ARG A 33 -12.195 2.429 -7.003 1.00 0.00 N ATOM 505 CA ARG A 33 -10.858 2.860 -7.430 1.00 0.00 C ATOM 506 C ARG A 33 -10.452 4.117 -6.662 1.00 0.00 C ATOM 507 O ARG A 33 -11.325 4.839 -6.187 1.00 0.00 O ATOM 508 CB ARG A 33 -10.873 3.075 -8.948 1.00 0.00 C ATOM 509 CG ARG A 33 -11.040 1.751 -9.717 1.00 0.00 C ATOM 510 CD ARG A 33 -11.503 1.995 -11.150 1.00 0.00 C ATOM 511 NE ARG A 33 -10.494 2.690 -11.964 1.00 0.00 N ATOM 512 CZ ARG A 33 -10.709 3.261 -13.156 1.00 0.00 C ATOM 513 NH1 ARG A 33 -11.902 3.299 -13.730 1.00 0.00 N ATOM 514 NH2 ARG A 33 -9.691 3.812 -13.797 1.00 0.00 N ATOM 0 H ARG A 33 -12.917 3.123 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.112 2.097 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.686 3.752 -9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.945 3.558 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.093 1.211 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.763 1.118 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.745 1.040 -11.617 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.420 2.584 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.547 2.742 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.707 2.882 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.016 3.746 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.759 3.798 -13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.838 4.251 -14.706 1.00 0.00 H new ATOM 528 N GLY A 34 -9.157 4.455 -6.587 1.00 0.00 N ATOM 529 CA GLY A 34 -8.758 5.685 -5.909 1.00 0.00 C ATOM 530 C GLY A 34 -7.315 6.109 -6.079 1.00 0.00 C ATOM 531 O GLY A 34 -6.498 5.424 -6.693 1.00 0.00 O ATOM 0 H GLY A 34 -8.390 3.907 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.396 6.494 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.957 5.568 -4.844 1.00 0.00 H new ATOM 535 N CYS A 35 -6.999 7.256 -5.492 1.00 0.00 N ATOM 536 CA CYS A 35 -5.645 7.757 -5.345 1.00 0.00 C ATOM 537 C CYS A 35 -5.466 8.235 -3.902 1.00 0.00 C ATOM 538 O CYS A 35 -6.451 8.521 -3.225 1.00 0.00 O ATOM 539 CB CYS A 35 -5.387 8.838 -6.401 1.00 0.00 C ATOM 540 SG CYS A 35 -6.109 10.435 -5.949 1.00 0.00 S ATOM 0 H CYS A 35 -7.701 7.880 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.899 6.982 -5.521 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.312 8.955 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.799 8.514 -7.356 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.855 11.305 -6.880 1.00 0.00 H new ATOM 546 N THR A 36 -4.235 8.324 -3.415 1.00 0.00 N ATOM 547 CA THR A 36 -3.949 9.026 -2.168 1.00 0.00 C ATOM 548 C THR A 36 -3.934 10.523 -2.496 1.00 0.00 C ATOM 549 O THR A 36 -3.126 10.951 -3.322 1.00 0.00 O ATOM 550 CB THR A 36 -2.612 8.543 -1.581 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.653 8.349 -2.597 1.00 0.00 O ATOM 552 CG2 THR A 36 -2.706 7.226 -0.801 1.00 0.00 C ATOM 0 H THR A 36 -3.415 7.918 -3.866 1.00 0.00 H new ATOM 0 HA THR A 36 -4.704 8.825 -1.408 1.00 0.00 H new ATOM 0 HB THR A 36 -2.321 9.336 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.757 8.517 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.720 6.957 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.396 7.346 0.034 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.068 6.438 -1.461 1.00 0.00 H new ATOM 560 N VAL A 37 -4.847 11.303 -1.907 1.00 0.00 N ATOM 561 CA VAL A 37 -4.842 12.756 -2.087 1.00 0.00 C ATOM 562 C VAL A 37 -3.698 13.352 -1.274 1.00 0.00 C ATOM 563 O VAL A 37 -3.003 14.263 -1.724 1.00 0.00 O ATOM 564 CB VAL A 37 -6.179 13.379 -1.640 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.200 14.868 -1.991 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.366 12.715 -2.328 1.00 0.00 C ATOM 0 H VAL A 37 -5.593 10.954 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.707 12.977 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.262 13.231 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.147 15.303 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.379 15.373 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.089 14.989 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.291 13.181 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.275 12.835 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.382 11.653 -2.081 1.00 0.00 H new ATOM 576 N GLU A 38 -3.516 12.834 -0.059 1.00 0.00 N ATOM 577 CA GLU A 38 -2.373 13.138 0.765 1.00 0.00 C ATOM 578 C GLU A 38 -1.172 12.577 0.020 1.00 0.00 C ATOM 579 O GLU A 38 -1.030 11.359 -0.107 1.00 0.00 O ATOM 580 CB GLU A 38 -2.576 12.525 2.156 1.00 0.00 C ATOM 581 CG GLU A 38 -3.382 13.476 3.061 1.00 0.00 C ATOM 582 CD GLU A 38 -4.364 12.786 4.026 1.00 0.00 C ATOM 583 OE1 GLU A 38 -4.181 11.601 4.374 1.00 0.00 O ATOM 584 OE2 GLU A 38 -5.345 13.445 4.445 1.00 0.00 O ATOM 0 H GLU A 38 -4.173 12.185 0.375 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.225 14.205 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.098 11.572 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.608 12.316 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.683 14.075 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.942 14.165 2.429 1.00 0.00 H new ATOM 591 N SER A 39 -0.365 13.467 -0.552 1.00 0.00 N ATOM 592 CA SER A 39 0.916 13.112 -1.132 1.00 0.00 C ATOM 593 C SER A 39 1.761 12.501 -0.009 1.00 0.00 C ATOM 594 O SER A 39 1.737 13.048 1.103 1.00 0.00 O ATOM 595 CB SER A 39 1.567 14.369 -1.721 1.00 0.00 C ATOM 596 OG SER A 39 0.607 15.196 -2.378 1.00 0.00 O ATOM 0 H SER A 39 -0.588 14.460 -0.624 1.00 0.00 H new ATOM 0 HA SER A 39 0.816 12.391 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.053 14.935 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.345 14.080 -2.428 1.00 0.00 H new ATOM 0 HG SER A 39 1.053 15.990 -2.741 1.00 0.00 H new ATOM 602 N PHE A 40 2.459 11.400 -0.257 1.00 0.00 N ATOM 603 CA PHE A 40 3.280 10.764 0.771 1.00 0.00 C ATOM 604 C PHE A 40 4.648 10.536 0.111 1.00 0.00 C ATOM 605 O PHE A 40 4.722 10.305 -1.102 1.00 0.00 O ATOM 606 CB PHE A 40 2.646 9.406 1.160 1.00 0.00 C ATOM 607 CG PHE A 40 1.499 9.488 2.140 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.687 9.992 3.439 1.00 0.00 C ATOM 609 CD2 PHE A 40 0.215 9.112 1.718 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.589 10.141 4.302 1.00 0.00 C ATOM 611 CE2 PHE A 40 -0.882 9.262 2.579 1.00 0.00 C ATOM 612 CZ PHE A 40 -0.704 9.783 3.869 1.00 0.00 C ATOM 0 H PHE A 40 2.474 10.927 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 40 3.363 11.369 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.293 8.915 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.422 8.770 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.677 10.265 3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.071 8.706 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.735 10.530 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.869 8.975 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.552 9.909 4.526 1.00 0.00 H new ATOM 622 N PRO A 41 5.739 10.487 0.888 1.00 0.00 N ATOM 623 CA PRO A 41 7.072 10.136 0.423 1.00 0.00 C ATOM 624 C PRO A 41 7.149 8.642 0.174 1.00 0.00 C ATOM 625 O PRO A 41 7.480 7.861 1.068 1.00 0.00 O ATOM 626 CB PRO A 41 8.057 10.562 1.517 1.00 0.00 C ATOM 627 CG PRO A 41 7.172 10.621 2.749 1.00 0.00 C ATOM 628 CD PRO A 41 5.767 10.898 2.270 1.00 0.00 C ATOM 0 HA PRO A 41 7.312 10.638 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.869 9.844 1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.514 11.527 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.214 9.681 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.509 11.403 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.036 10.343 2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.520 11.955 2.369 1.00 0.00 H new ATOM 636 N LEU A 42 6.862 8.240 -1.056 1.00 0.00 N ATOM 637 CA LEU A 42 7.076 6.875 -1.465 1.00 0.00 C ATOM 638 C LEU A 42 8.558 6.759 -1.824 1.00 0.00 C ATOM 639 O LEU A 42 8.974 7.219 -2.886 1.00 0.00 O ATOM 640 CB LEU A 42 6.178 6.585 -2.686 1.00 0.00 C ATOM 641 CG LEU A 42 5.874 5.098 -2.909 1.00 0.00 C ATOM 642 CD1 LEU A 42 5.126 4.929 -4.238 1.00 0.00 C ATOM 643 CD2 LEU A 42 7.121 4.210 -2.842 1.00 0.00 C ATOM 0 H LEU A 42 6.481 8.846 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 42 6.825 6.156 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.237 7.122 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.660 6.983 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 42 5.239 4.760 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.908 3.874 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.193 5.492 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.745 5.302 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.837 3.171 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.830 4.519 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.585 4.307 -1.860 1.00 0.00 H new ATOM 655 N VAL A 43 9.359 6.172 -0.946 1.00 0.00 N ATOM 656 CA VAL A 43 10.810 6.061 -1.072 1.00 0.00 C ATOM 657 C VAL A 43 11.162 4.572 -1.028 1.00 0.00 C ATOM 658 O VAL A 43 10.660 3.847 -0.164 1.00 0.00 O ATOM 659 CB VAL A 43 11.483 6.896 0.037 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.482 8.381 -0.362 1.00 0.00 C ATOM 661 CG2 VAL A 43 10.827 6.756 1.419 1.00 0.00 C ATOM 0 H VAL A 43 9.004 5.742 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 43 11.180 6.463 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 43 12.496 6.505 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.958 8.969 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.032 8.508 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.455 8.721 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.361 7.375 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.788 7.079 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.866 5.714 1.736 1.00 0.00 H new ATOM 671 N ILE A 44 12.008 4.090 -1.940 1.00 0.00 N ATOM 672 CA ILE A 44 12.357 2.670 -2.032 1.00 0.00 C ATOM 673 C ILE A 44 13.698 2.500 -1.330 1.00 0.00 C ATOM 674 O ILE A 44 14.733 2.823 -1.907 1.00 0.00 O ATOM 675 CB ILE A 44 12.364 2.169 -3.498 1.00 0.00 C ATOM 676 CG1 ILE A 44 10.982 2.404 -4.154 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.739 0.670 -3.530 1.00 0.00 C ATOM 678 CD1 ILE A 44 10.936 2.058 -5.646 1.00 0.00 C ATOM 0 H ILE A 44 12.471 4.673 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 44 11.606 2.050 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 44 13.106 2.730 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.236 1.807 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.702 3.450 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.744 0.318 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.729 0.533 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.009 0.100 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.935 2.249 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.657 2.673 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.183 1.005 -5.783 1.00 0.00 H new ATOM 690 N ALA A 45 13.674 2.027 -0.086 1.00 0.00 N ATOM 691 CA ALA A 45 14.860 1.798 0.719 1.00 0.00 C ATOM 692 C ALA A 45 15.006 0.328 1.085 1.00 0.00 C ATOM 693 O ALA A 45 14.092 -0.488 0.924 1.00 0.00 O ATOM 694 CB ALA A 45 14.800 2.637 1.988 1.00 0.00 C ATOM 0 H ALA A 45 12.807 1.789 0.396 1.00 0.00 H new ATOM 0 HA ALA A 45 15.727 2.091 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.694 2.458 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.745 3.693 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.917 2.361 2.565 1.00 0.00 H new ATOM 700 N GLY A 46 16.157 0.036 1.673 1.00 0.00 N ATOM 701 CA GLY A 46 16.472 -1.260 2.242 1.00 0.00 C ATOM 702 C GLY A 46 16.875 -2.247 1.155 1.00 0.00 C ATOM 703 O GLY A 46 16.461 -2.166 -0.002 1.00 0.00 O ATOM 0 H GLY A 46 16.914 0.713 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.282 -1.157 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.608 -1.643 2.785 1.00 0.00 H new ATOM 707 N GLU A 47 17.690 -3.218 1.545 1.00 0.00 N ATOM 708 CA GLU A 47 18.476 -4.020 0.615 1.00 0.00 C ATOM 709 C GLU A 47 17.636 -5.010 -0.192 1.00 0.00 C ATOM 710 O GLU A 47 18.147 -5.614 -1.139 1.00 0.00 O ATOM 711 CB GLU A 47 19.574 -4.703 1.440 1.00 0.00 C ATOM 712 CG GLU A 47 20.653 -5.487 0.687 1.00 0.00 C ATOM 713 CD GLU A 47 21.360 -4.737 -0.440 1.00 0.00 C ATOM 714 OE1 GLU A 47 21.289 -3.493 -0.540 1.00 0.00 O ATOM 715 OE2 GLU A 47 21.995 -5.430 -1.276 1.00 0.00 O ATOM 0 H GLU A 47 17.826 -3.474 2.523 1.00 0.00 H new ATOM 0 HA GLU A 47 18.916 -3.379 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 47 20.071 -3.937 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.091 -5.386 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 47 21.404 -5.815 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.197 -6.385 0.270 1.00 0.00 H new ATOM 722 N HIS A 48 16.356 -5.183 0.148 1.00 0.00 N ATOM 723 CA HIS A 48 15.427 -6.020 -0.593 1.00 0.00 C ATOM 724 C HIS A 48 14.476 -5.189 -1.475 1.00 0.00 C ATOM 725 O HIS A 48 13.503 -5.732 -2.000 1.00 0.00 O ATOM 726 CB HIS A 48 14.696 -6.965 0.375 1.00 0.00 C ATOM 727 CG HIS A 48 15.562 -8.014 1.050 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.129 -8.985 1.927 1.00 0.00 N ATOM 729 CD2 HIS A 48 16.915 -8.176 0.916 1.00 0.00 C ATOM 730 CE1 HIS A 48 16.202 -9.699 2.314 1.00 0.00 C ATOM 731 NE2 HIS A 48 17.322 -9.249 1.716 1.00 0.00 N ATOM 0 H HIS A 48 15.935 -4.734 0.962 1.00 0.00 H new ATOM 0 HA HIS A 48 15.988 -6.639 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 48 14.216 -6.364 1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.902 -7.473 -0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 48 17.562 -7.574 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.169 -10.523 3.011 1.00 0.00 H new ATOM 0 HE2 HIS A 48 18.268 -9.614 1.824 1.00 0.00 H new ATOM 739 N ASN A 49 14.768 -3.893 -1.661 1.00 0.00 N ATOM 740 CA ASN A 49 13.997 -2.908 -2.423 1.00 0.00 C ATOM 741 C ASN A 49 12.555 -2.828 -1.924 1.00 0.00 C ATOM 742 O ASN A 49 11.607 -3.227 -2.600 1.00 0.00 O ATOM 743 CB ASN A 49 14.101 -3.141 -3.937 1.00 0.00 C ATOM 744 CG ASN A 49 15.485 -2.827 -4.487 1.00 0.00 C ATOM 745 OD1 ASN A 49 16.119 -1.856 -4.104 1.00 0.00 O ATOM 746 ND2 ASN A 49 16.007 -3.636 -5.398 1.00 0.00 N ATOM 0 H ASN A 49 15.607 -3.481 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 49 14.441 -1.928 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.854 -4.179 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.363 -2.522 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.935 -3.447 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.481 -4.448 -5.720 1.00 0.00 H new ATOM 753 N ILE A 50 12.401 -2.291 -0.725 1.00 0.00 N ATOM 754 CA ILE A 50 11.220 -2.318 0.127 1.00 0.00 C ATOM 755 C ILE A 50 10.547 -0.932 0.056 1.00 0.00 C ATOM 756 O ILE A 50 11.081 0.006 0.645 1.00 0.00 O ATOM 757 CB ILE A 50 11.550 -2.796 1.560 1.00 0.00 C ATOM 758 CG1 ILE A 50 12.360 -4.120 1.629 1.00 0.00 C ATOM 759 CG2 ILE A 50 10.235 -3.004 2.333 1.00 0.00 C ATOM 760 CD1 ILE A 50 13.535 -4.016 2.611 1.00 0.00 C ATOM 0 H ILE A 50 13.165 -1.780 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 50 10.505 -3.058 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 50 12.177 -2.018 1.996 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.702 -4.934 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.736 -4.369 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.457 -3.341 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.686 -2.063 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.629 -3.755 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.077 -4.961 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.207 -3.219 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.157 -3.793 3.609 1.00 0.00 H new ATOM 772 N PRO A 51 9.610 -0.655 -0.867 1.00 0.00 N ATOM 773 CA PRO A 51 8.925 0.642 -0.907 1.00 0.00 C ATOM 774 C PRO A 51 8.309 0.999 0.458 1.00 0.00 C ATOM 775 O PRO A 51 7.545 0.213 1.020 1.00 0.00 O ATOM 776 CB PRO A 51 7.838 0.486 -1.974 1.00 0.00 C ATOM 777 CG PRO A 51 7.502 -1.003 -1.897 1.00 0.00 C ATOM 778 CD PRO A 51 8.873 -1.630 -1.663 1.00 0.00 C ATOM 0 HA PRO A 51 9.616 1.452 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.969 1.109 -1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.198 0.769 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.810 -1.223 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.040 -1.364 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.786 -2.581 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.380 -1.831 -2.607 1.00 0.00 H new ATOM 786 N TRP A 52 8.572 2.195 0.981 1.00 0.00 N ATOM 787 CA TRP A 52 8.000 2.679 2.235 1.00 0.00 C ATOM 788 C TRP A 52 7.342 4.034 1.994 1.00 0.00 C ATOM 789 O TRP A 52 7.875 4.823 1.214 1.00 0.00 O ATOM 790 CB TRP A 52 9.102 2.823 3.287 1.00 0.00 C ATOM 791 CG TRP A 52 9.985 1.651 3.557 1.00 0.00 C ATOM 792 CD1 TRP A 52 11.226 1.486 3.058 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.761 0.495 4.407 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.781 0.317 3.522 1.00 0.00 N ATOM 795 CE2 TRP A 52 10.930 -0.323 4.387 1.00 0.00 C ATOM 796 CE3 TRP A 52 8.686 0.060 5.202 1.00 0.00 C ATOM 797 CZ2 TRP A 52 11.037 -1.498 5.140 1.00 0.00 C ATOM 798 CZ3 TRP A 52 8.753 -1.155 5.899 1.00 0.00 C ATOM 799 CH2 TRP A 52 9.929 -1.925 5.880 1.00 0.00 C ATOM 0 H TRP A 52 9.199 2.866 0.537 1.00 0.00 H new ATOM 0 HA TRP A 52 7.257 1.968 2.594 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.739 3.656 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.628 3.105 4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.716 2.176 2.387 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.704 -0.029 3.258 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.797 0.669 5.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.957 -2.064 5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.894 -1.502 6.455 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.977 -2.848 6.438 1.00 0.00 H new ATOM 810 N LEU A 53 6.228 4.350 2.683 1.00 0.00 N ATOM 811 CA LEU A 53 5.486 5.600 2.413 1.00 0.00 C ATOM 812 C LEU A 53 5.778 6.799 3.304 1.00 0.00 C ATOM 813 O LEU A 53 5.173 7.863 3.214 1.00 0.00 O ATOM 814 CB LEU A 53 3.978 5.412 2.548 1.00 0.00 C ATOM 815 CG LEU A 53 3.321 5.580 1.196 1.00 0.00 C ATOM 816 CD1 LEU A 53 1.804 5.481 1.400 1.00 0.00 C ATOM 817 CD2 LEU A 53 3.806 6.592 0.156 1.00 0.00 C ATOM 0 H LEU A 53 5.826 3.769 3.419 1.00 0.00 H new ATOM 0 HA LEU A 53 5.834 5.814 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.760 4.422 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.573 6.138 3.253 1.00 0.00 H new ATOM 0 HG LEU A 53 3.724 4.756 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.299 5.598 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.557 4.508 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.476 6.267 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.179 6.529 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.746 7.598 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.839 6.371 -0.112 1.00 0.00 H new ATOM 829 N LEU A 54 6.595 6.489 4.275 1.00 0.00 N ATOM 830 CA LEU A 54 7.206 7.391 5.247 1.00 0.00 C ATOM 831 C LEU A 54 6.219 8.441 5.780 1.00 0.00 C ATOM 832 O LEU A 54 6.318 9.601 5.412 1.00 0.00 O ATOM 833 CB LEU A 54 8.474 8.012 4.669 1.00 0.00 C ATOM 834 CG LEU A 54 9.726 7.242 4.983 1.00 0.00 C ATOM 835 CD1 LEU A 54 9.726 5.889 4.322 1.00 0.00 C ATOM 836 CD2 LEU A 54 10.921 8.136 4.638 1.00 0.00 C ATOM 0 H LEU A 54 6.881 5.522 4.429 1.00 0.00 H new ATOM 0 HA LEU A 54 7.493 6.801 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.368 8.089 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.577 9.027 5.053 1.00 0.00 H new ATOM 0 HG LEU A 54 9.790 7.002 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.647 5.362 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.871 5.312 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.661 6.012 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.848 7.605 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.890 8.393 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.877 9.048 5.234 1.00 0.00 H new ATOM 848 N TYR A 55 5.275 8.062 6.636 1.00 0.00 N ATOM 849 CA TYR A 55 4.006 8.758 6.886 1.00 0.00 C ATOM 850 C TYR A 55 4.134 10.285 7.049 1.00 0.00 C ATOM 851 O TYR A 55 4.356 10.791 8.147 1.00 0.00 O ATOM 852 CB TYR A 55 3.292 8.131 8.086 1.00 0.00 C ATOM 853 CG TYR A 55 1.899 8.686 8.341 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.883 8.582 7.365 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.625 9.335 9.561 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.389 9.137 7.602 1.00 0.00 C ATOM 857 CE2 TYR A 55 0.362 9.906 9.793 1.00 0.00 C ATOM 858 CZ TYR A 55 -0.647 9.827 8.806 1.00 0.00 C ATOM 859 OH TYR A 55 -1.863 10.394 9.025 1.00 0.00 O ATOM 0 H TYR A 55 5.374 7.221 7.204 1.00 0.00 H new ATOM 0 HA TYR A 55 3.405 8.624 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.219 7.055 7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.901 8.283 8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.083 8.074 6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.389 9.394 10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.168 9.035 6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.162 10.407 10.729 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.868 10.827 9.904 1.00 0.00 H new ATOM 869 N LEU A 56 3.981 11.013 5.933 1.00 0.00 N ATOM 870 CA LEU A 56 4.169 12.452 5.843 1.00 0.00 C ATOM 871 C LEU A 56 3.167 12.989 4.808 1.00 0.00 C ATOM 872 O LEU A 56 3.527 13.088 3.638 1.00 0.00 O ATOM 873 CB LEU A 56 5.639 12.744 5.450 1.00 0.00 C ATOM 874 CG LEU A 56 6.263 14.094 5.856 1.00 0.00 C ATOM 875 CD1 LEU A 56 5.267 15.165 6.311 1.00 0.00 C ATOM 876 CD2 LEU A 56 7.315 13.877 6.946 1.00 0.00 C ATOM 0 H LEU A 56 3.714 10.593 5.043 1.00 0.00 H new ATOM 0 HA LEU A 56 3.984 12.949 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.257 11.954 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.714 12.659 4.366 1.00 0.00 H new ATOM 0 HG LEU A 56 6.713 14.484 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.806 16.075 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.568 15.378 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.717 14.805 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.751 14.836 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.846 13.422 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.098 13.219 6.570 1.00 0.00 H new ATOM 888 N PRO A 57 1.909 13.289 5.184 1.00 0.00 N ATOM 889 CA PRO A 57 0.946 13.878 4.260 1.00 0.00 C ATOM 890 C PRO A 57 1.513 15.210 3.746 1.00 0.00 C ATOM 891 O PRO A 57 2.149 15.966 4.493 1.00 0.00 O ATOM 892 CB PRO A 57 -0.359 14.004 5.048 1.00 0.00 C ATOM 893 CG PRO A 57 0.052 14.004 6.512 1.00 0.00 C ATOM 894 CD PRO A 57 1.368 13.224 6.531 1.00 0.00 C ATOM 0 HA PRO A 57 0.753 13.281 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.888 14.921 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.032 13.175 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.184 15.018 6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.703 13.528 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.064 13.657 7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.201 12.190 6.832 1.00 0.00 H new ATOM 902 N GLY A 58 1.326 15.475 2.455 1.00 0.00 N ATOM 903 CA GLY A 58 1.742 16.697 1.780 1.00 0.00 C ATOM 904 C GLY A 58 3.215 16.719 1.357 1.00 0.00 C ATOM 905 O GLY A 58 3.652 17.701 0.753 1.00 0.00 O ATOM 0 H GLY A 58 0.862 14.817 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.121 16.838 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.554 17.544 2.440 1.00 0.00 H new ATOM 909 N LYS A 59 3.998 15.670 1.633 1.00 0.00 N ATOM 910 CA LYS A 59 5.373 15.529 1.151 1.00 0.00 C ATOM 911 C LYS A 59 5.342 14.645 -0.099 1.00 0.00 C ATOM 912 O LYS A 59 4.573 13.690 -0.136 1.00 0.00 O ATOM 913 CB LYS A 59 6.164 14.922 2.318 1.00 0.00 C ATOM 914 CG LYS A 59 7.561 14.386 2.022 1.00 0.00 C ATOM 915 CD LYS A 59 8.533 15.472 1.576 1.00 0.00 C ATOM 916 CE LYS A 59 8.945 16.346 2.766 1.00 0.00 C ATOM 917 NZ LYS A 59 9.643 17.550 2.303 1.00 0.00 N ATOM 0 H LYS A 59 3.688 14.885 2.206 1.00 0.00 H new ATOM 0 HA LYS A 59 5.848 16.466 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.253 15.682 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.573 14.107 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.954 13.899 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.495 13.624 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.416 15.016 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.069 16.090 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.062 16.628 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.592 15.778 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.915 18.130 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.496 17.275 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.014 18.099 1.683 1.00 0.00 H new ATOM 931 N GLY A 60 6.186 14.904 -1.103 1.00 0.00 N ATOM 932 CA GLY A 60 6.233 14.053 -2.280 1.00 0.00 C ATOM 933 C GLY A 60 5.047 14.294 -3.191 1.00 0.00 C ATOM 934 O GLY A 60 4.621 15.437 -3.381 1.00 0.00 O ATOM 0 H GLY A 60 6.837 15.689 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.157 14.239 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.250 13.007 -1.973 1.00 0.00 H new ATOM 938 N HIS A 61 4.567 13.216 -3.799 1.00 0.00 N ATOM 939 CA HIS A 61 3.585 13.223 -4.870 1.00 0.00 C ATOM 940 C HIS A 61 2.490 12.217 -4.520 1.00 0.00 C ATOM 941 O HIS A 61 2.566 11.568 -3.472 1.00 0.00 O ATOM 942 CB HIS A 61 4.301 12.906 -6.193 1.00 0.00 C ATOM 943 CG HIS A 61 5.554 13.732 -6.390 1.00 0.00 C ATOM 944 ND1 HIS A 61 5.620 15.108 -6.460 1.00 0.00 N ATOM 945 CD2 HIS A 61 6.836 13.256 -6.326 1.00 0.00 C ATOM 946 CE1 HIS A 61 6.917 15.454 -6.412 1.00 0.00 C ATOM 947 NE2 HIS A 61 7.699 14.361 -6.338 1.00 0.00 N ATOM 0 H HIS A 61 4.866 12.274 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 61 3.109 14.197 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.561 11.848 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.618 13.085 -7.023 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.129 12.218 -6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.282 16.470 -6.430 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.718 14.341 -6.298 1.00 0.00 H new ATOM 955 N CYS A 62 1.455 12.124 -5.354 1.00 0.00 N ATOM 956 CA CYS A 62 0.392 11.146 -5.169 1.00 0.00 C ATOM 957 C CYS A 62 0.919 9.731 -5.273 1.00 0.00 C ATOM 958 O CYS A 62 2.010 9.489 -5.777 1.00 0.00 O ATOM 959 CB CYS A 62 -0.769 11.359 -6.158 1.00 0.00 C ATOM 960 SG CYS A 62 -0.214 11.911 -7.797 1.00 0.00 S ATOM 0 H CYS A 62 1.333 12.722 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 62 0.002 11.296 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.324 10.427 -6.264 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.459 12.096 -5.747 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.244 12.067 -8.574 1.00 0.00 H new ATOM 966 N VAL A 63 0.082 8.787 -4.856 1.00 0.00 N ATOM 967 CA VAL A 63 0.267 7.386 -5.134 1.00 0.00 C ATOM 968 C VAL A 63 -1.079 6.851 -5.617 1.00 0.00 C ATOM 969 O VAL A 63 -2.062 6.830 -4.863 1.00 0.00 O ATOM 970 CB VAL A 63 0.890 6.658 -3.924 1.00 0.00 C ATOM 971 CG1 VAL A 63 1.154 5.187 -4.259 1.00 0.00 C ATOM 972 CG2 VAL A 63 2.222 7.286 -3.483 1.00 0.00 C ATOM 0 H VAL A 63 -0.754 8.987 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 63 0.994 7.205 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 63 0.169 6.749 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.593 4.690 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.215 4.699 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.842 5.124 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.618 6.737 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.936 7.241 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.058 8.326 -3.201 1.00 0.00 H new ATOM 982 N THR A 64 -1.160 6.498 -6.899 1.00 0.00 N ATOM 983 CA THR A 64 -2.377 5.955 -7.489 1.00 0.00 C ATOM 984 C THR A 64 -2.618 4.548 -6.925 1.00 0.00 C ATOM 985 O THR A 64 -1.653 3.838 -6.608 1.00 0.00 O ATOM 986 CB THR A 64 -2.247 5.966 -9.024 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.177 5.149 -9.464 1.00 0.00 O ATOM 988 CG2 THR A 64 -1.991 7.373 -9.573 1.00 0.00 C ATOM 0 H THR A 64 -0.383 6.581 -7.555 1.00 0.00 H new ATOM 0 HA THR A 64 -3.243 6.565 -7.234 1.00 0.00 H new ATOM 0 HB THR A 64 -3.199 5.586 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.124 5.178 -10.442 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.907 7.330 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.819 8.027 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.065 7.765 -9.152 1.00 0.00 H new ATOM 996 N GLY A 65 -3.869 4.085 -6.855 1.00 0.00 N ATOM 997 CA GLY A 65 -4.157 2.782 -6.284 1.00 0.00 C ATOM 998 C GLY A 65 -5.590 2.330 -6.554 1.00 0.00 C ATOM 999 O GLY A 65 -6.248 2.771 -7.503 1.00 0.00 O ATOM 0 H GLY A 65 -4.688 4.595 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.464 2.048 -6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.986 2.814 -5.208 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.073 1.408 -5.729 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.439 0.905 -5.726 1.00 0.00 C ATOM 1005 C GLU A 66 -7.878 0.709 -4.279 1.00 0.00 C ATOM 1006 O GLU A 66 -7.037 0.492 -3.396 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.514 -0.403 -6.527 1.00 0.00 C ATOM 1008 CG GLU A 66 -8.265 -0.180 -7.838 1.00 0.00 C ATOM 1009 CD GLU A 66 -8.093 -1.353 -8.798 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -8.136 -2.527 -8.367 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.821 -1.081 -9.988 1.00 0.00 O ATOM 0 H GLU A 66 -5.495 0.971 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.113 1.616 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.508 -0.769 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.017 -1.170 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.325 -0.034 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.905 0.733 -8.312 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.185 0.826 -4.046 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.798 0.674 -2.739 1.00 0.00 C ATOM 1020 C ILE A 67 -10.267 -0.777 -2.685 1.00 0.00 C ATOM 1021 O ILE A 67 -10.809 -1.305 -3.657 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.966 1.678 -2.566 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.487 3.145 -2.690 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.652 1.466 -1.200 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -11.632 4.152 -2.873 1.00 0.00 C ATOM 0 H ILE A 67 -9.858 1.034 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.107 0.889 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.681 1.490 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.920 3.410 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.805 3.225 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.471 2.177 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.043 0.450 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.927 1.621 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.222 5.159 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.185 3.913 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.303 4.100 -2.015 1.00 0.00 H new ATOM 1037 N TYR A 68 -10.070 -1.426 -1.540 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.610 -2.752 -1.307 1.00 0.00 C ATOM 1039 C TYR A 68 -11.382 -2.711 -0.006 1.00 0.00 C ATOM 1040 O TYR A 68 -10.852 -2.276 1.020 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.525 -3.835 -1.332 1.00 0.00 C ATOM 1042 CG TYR A 68 -8.792 -3.897 -2.661 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.276 -4.707 -3.710 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.670 -3.076 -2.876 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -8.659 -4.678 -4.977 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -7.048 -3.053 -4.134 1.00 0.00 C ATOM 1047 CZ TYR A 68 -7.539 -3.841 -5.195 1.00 0.00 C ATOM 1048 OH TYR A 68 -6.929 -3.764 -6.410 1.00 0.00 O ATOM 0 H TYR A 68 -9.536 -1.047 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.285 -3.030 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.807 -3.644 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.979 -4.804 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.125 -5.353 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.287 -2.463 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.040 -5.293 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.184 -2.425 -4.291 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.334 -3.042 -6.934 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.641 -3.134 -0.049 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.328 -3.511 1.168 1.00 0.00 C ATOM 1060 C GLU A 69 -12.673 -4.801 1.630 1.00 0.00 C ATOM 1061 O GLU A 69 -12.414 -5.698 0.824 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.826 -3.702 0.933 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.562 -3.903 2.260 1.00 0.00 C ATOM 1064 CD GLU A 69 -17.004 -4.299 2.015 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -17.774 -3.480 1.457 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -17.362 -5.444 2.363 1.00 0.00 O ATOM 0 H GLU A 69 -13.194 -3.222 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.247 -2.730 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.231 -2.833 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.990 -4.564 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.062 -4.674 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.526 -2.984 2.845 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.405 -4.890 2.920 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.805 -6.050 3.534 1.00 0.00 C ATOM 1075 C VAL A 70 -12.616 -6.414 4.764 1.00 0.00 C ATOM 1076 O VAL A 70 -13.431 -5.622 5.266 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.316 -5.790 3.831 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.500 -5.580 2.546 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -10.086 -4.594 4.758 1.00 0.00 C ATOM 0 H VAL A 70 -12.605 -4.139 3.580 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.824 -6.906 2.859 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.973 -6.691 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.456 -5.400 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.571 -6.470 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.893 -4.721 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.017 -4.465 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.492 -3.693 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.585 -4.771 5.711 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.402 -7.624 5.262 1.00 0.00 N ATOM 1090 CA ASP A 71 -12.905 -8.017 6.561 1.00 0.00 C ATOM 1091 C ASP A 71 -11.805 -8.058 7.603 1.00 0.00 C ATOM 1092 O ASP A 71 -10.631 -7.800 7.343 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.685 -9.328 6.504 1.00 0.00 C ATOM 1094 CG ASP A 71 -12.810 -10.555 6.747 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -11.803 -10.740 6.035 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -13.155 -11.281 7.709 1.00 0.00 O ATOM 0 H ASP A 71 -11.878 -8.353 4.777 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.610 -7.246 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.481 -9.303 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.163 -9.417 5.529 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.250 -8.362 8.809 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.447 -8.507 10.000 1.00 0.00 C ATOM 1103 C GLU A 72 -10.357 -9.558 9.822 1.00 0.00 C ATOM 1104 O GLU A 72 -9.226 -9.330 10.241 1.00 0.00 O ATOM 1105 CB GLU A 72 -12.401 -8.873 11.148 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.349 -7.791 12.218 1.00 0.00 C ATOM 1107 CD GLU A 72 -11.094 -7.928 13.085 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -10.928 -9.009 13.699 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -10.286 -6.973 13.137 1.00 0.00 O ATOM 0 H GLU A 72 -13.241 -8.523 8.989 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.926 -7.575 10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.418 -8.977 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.120 -9.835 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.363 -6.809 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.237 -7.855 12.847 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.679 -10.695 9.201 1.00 0.00 N ATOM 1117 CA GLN A 73 -9.714 -11.752 8.962 1.00 0.00 C ATOM 1118 C GLN A 73 -8.601 -11.246 8.040 1.00 0.00 C ATOM 1119 O GLN A 73 -7.432 -11.450 8.365 1.00 0.00 O ATOM 1120 CB GLN A 73 -10.463 -12.988 8.441 1.00 0.00 C ATOM 1121 CG GLN A 73 -9.650 -14.285 8.366 1.00 0.00 C ATOM 1122 CD GLN A 73 -8.918 -14.586 9.670 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -9.533 -14.919 10.688 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -7.610 -14.395 9.676 1.00 0.00 N ATOM 0 H GLN A 73 -11.615 -10.901 8.853 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.210 -12.053 9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.327 -13.161 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.845 -12.764 7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.315 -15.115 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.926 -14.211 7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.131 -14.120 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.080 -14.522 10.538 1.00 0.00 H new ATOM 1133 N MET A 74 -8.945 -10.537 6.957 1.00 0.00 N ATOM 1134 CA MET A 74 -7.957 -9.949 6.055 1.00 0.00 C ATOM 1135 C MET A 74 -7.122 -8.920 6.795 1.00 0.00 C ATOM 1136 O MET A 74 -5.905 -8.913 6.642 1.00 0.00 O ATOM 1137 CB MET A 74 -8.675 -9.301 4.866 1.00 0.00 C ATOM 1138 CG MET A 74 -7.803 -8.453 3.926 1.00 0.00 C ATOM 1139 SD MET A 74 -6.457 -9.278 3.047 1.00 0.00 S ATOM 1140 CE MET A 74 -7.341 -10.711 2.392 1.00 0.00 C ATOM 0 H MET A 74 -9.912 -10.358 6.686 1.00 0.00 H new ATOM 0 HA MET A 74 -7.292 -10.730 5.687 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.145 -10.090 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.476 -8.670 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.458 -7.997 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.372 -7.641 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.734 -11.194 1.626 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.537 -11.418 3.199 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.286 -10.387 1.956 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.755 -8.031 7.566 1.00 0.00 N ATOM 1151 CA LEU A 75 -7.020 -6.952 8.208 1.00 0.00 C ATOM 1152 C LEU A 75 -6.050 -7.505 9.244 1.00 0.00 C ATOM 1153 O LEU A 75 -4.922 -7.034 9.291 1.00 0.00 O ATOM 1154 CB LEU A 75 -7.964 -5.897 8.812 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.331 -4.485 8.863 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -6.922 -3.950 7.479 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -8.290 -3.462 9.481 1.00 0.00 C ATOM 0 H LEU A 75 -8.757 -8.040 7.755 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.435 -6.443 7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.881 -5.858 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.244 -6.201 9.820 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.438 -4.605 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.486 -2.957 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.189 -4.622 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.801 -3.892 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.813 -2.482 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.201 -3.410 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.539 -3.765 10.498 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.466 -8.515 10.016 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.618 -9.242 10.965 1.00 0.00 C ATOM 1171 C ARG A 76 -4.493 -9.971 10.249 1.00 0.00 C ATOM 1172 O ARG A 76 -3.382 -10.039 10.769 1.00 0.00 O ATOM 1173 CB ARG A 76 -6.453 -10.262 11.766 1.00 0.00 C ATOM 1174 CG ARG A 76 -7.146 -9.593 12.962 1.00 0.00 C ATOM 1175 CD ARG A 76 -7.849 -10.588 13.885 1.00 0.00 C ATOM 1176 NE ARG A 76 -9.095 -11.087 13.298 1.00 0.00 N ATOM 1177 CZ ARG A 76 -9.249 -12.262 12.683 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -8.234 -13.114 12.574 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.428 -12.585 12.159 1.00 0.00 N ATOM 0 H ARG A 76 -7.427 -8.858 9.997 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.186 -8.509 11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.201 -10.715 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.808 -11.067 12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.407 -9.035 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.875 -8.871 12.594 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.183 -11.426 14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.063 -10.109 14.840 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.916 -10.485 13.365 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.322 -12.874 12.963 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.367 -14.008 12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.212 -11.936 12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.548 -13.482 11.689 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.773 -10.571 9.094 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.758 -11.268 8.330 1.00 0.00 C ATOM 1195 C PHE A 77 -2.711 -10.280 7.813 1.00 0.00 C ATOM 1196 O PHE A 77 -1.517 -10.483 8.002 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.405 -12.064 7.194 1.00 0.00 C ATOM 1198 CG PHE A 77 -3.374 -12.644 6.258 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.693 -13.827 6.590 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -3.020 -11.929 5.102 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.678 -14.309 5.746 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -1.979 -12.389 4.281 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.317 -13.589 4.592 1.00 0.00 C ATOM 0 H PHE A 77 -5.701 -10.584 8.671 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.244 -11.979 8.977 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.009 -12.869 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.080 -11.416 6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.949 -14.364 7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.550 -11.024 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.174 -15.234 5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.687 -11.821 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.533 -13.958 3.947 1.00 0.00 H new ATOM 1213 N LEU A 78 -3.131 -9.192 7.169 1.00 0.00 N ATOM 1214 CA LEU A 78 -2.210 -8.161 6.705 1.00 0.00 C ATOM 1215 C LEU A 78 -1.489 -7.498 7.883 1.00 0.00 C ATOM 1216 O LEU A 78 -0.391 -6.980 7.700 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.956 -7.143 5.817 1.00 0.00 C ATOM 1218 CG LEU A 78 -2.559 -7.193 4.326 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -2.754 -8.576 3.693 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -3.413 -6.189 3.538 1.00 0.00 C ATOM 0 H LEU A 78 -4.111 -9.003 6.957 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.437 -8.623 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.028 -7.321 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.768 -6.139 6.198 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.497 -6.950 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.456 -8.542 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.141 -9.307 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.803 -8.864 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.135 -6.222 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.467 -6.446 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.245 -5.184 3.926 1.00 0.00 H new ATOM 1232 N ASP A 79 -2.067 -7.485 9.090 1.00 0.00 N ATOM 1233 CA ASP A 79 -1.451 -6.944 10.317 1.00 0.00 C ATOM 1234 C ASP A 79 -0.336 -7.846 10.873 1.00 0.00 C ATOM 1235 O ASP A 79 0.293 -7.528 11.885 1.00 0.00 O ATOM 1236 CB ASP A 79 -2.534 -6.633 11.348 1.00 0.00 C ATOM 1237 CG ASP A 79 -2.083 -5.712 12.484 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.853 -4.506 12.209 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -2.157 -6.101 13.669 1.00 0.00 O ATOM 0 H ASP A 79 -3.002 -7.860 9.249 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.950 -6.010 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.381 -6.173 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.890 -7.570 11.776 1.00 0.00 H new ATOM 1244 N ASP A 80 -0.073 -8.947 10.169 1.00 0.00 N ATOM 1245 CA ASP A 80 0.957 -9.952 10.411 1.00 0.00 C ATOM 1246 C ASP A 80 1.889 -10.089 9.195 1.00 0.00 C ATOM 1247 O ASP A 80 3.113 -10.075 9.342 1.00 0.00 O ATOM 1248 CB ASP A 80 0.246 -11.276 10.726 1.00 0.00 C ATOM 1249 CG ASP A 80 1.203 -12.457 10.814 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.542 -13.038 9.754 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.521 -12.871 11.950 1.00 0.00 O ATOM 0 H ASP A 80 -0.625 -9.176 9.343 1.00 0.00 H new ATOM 0 HA ASP A 80 1.586 -9.658 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.291 -11.179 11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.499 -11.475 9.955 1.00 0.00 H new ATOM 1256 N PHE A 81 1.329 -10.204 7.986 1.00 0.00 N ATOM 1257 CA PHE A 81 2.075 -10.410 6.745 1.00 0.00 C ATOM 1258 C PHE A 81 2.969 -9.213 6.398 1.00 0.00 C ATOM 1259 O PHE A 81 4.096 -9.399 5.931 1.00 0.00 O ATOM 1260 CB PHE A 81 1.091 -10.709 5.600 1.00 0.00 C ATOM 1261 CG PHE A 81 1.678 -10.595 4.201 1.00 0.00 C ATOM 1262 CD1 PHE A 81 2.826 -11.330 3.845 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.121 -9.687 3.278 1.00 0.00 C ATOM 1264 CE1 PHE A 81 3.417 -11.146 2.583 1.00 0.00 C ATOM 1265 CE2 PHE A 81 1.694 -9.529 2.005 1.00 0.00 C ATOM 1266 CZ PHE A 81 2.834 -10.268 1.652 1.00 0.00 C ATOM 0 H PHE A 81 0.320 -10.155 7.842 1.00 0.00 H new ATOM 0 HA PHE A 81 2.739 -11.262 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.699 -11.717 5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.246 -10.025 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.252 -12.036 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.250 -9.110 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.320 -11.680 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.257 -8.839 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.263 -10.162 0.666 1.00 0.00 H new ATOM 1276 N GLU A 82 2.506 -7.979 6.617 1.00 0.00 N ATOM 1277 CA GLU A 82 3.308 -6.787 6.325 1.00 0.00 C ATOM 1278 C GLU A 82 4.363 -6.545 7.418 1.00 0.00 C ATOM 1279 O GLU A 82 5.008 -5.501 7.424 1.00 0.00 O ATOM 1280 CB GLU A 82 2.422 -5.548 6.089 1.00 0.00 C ATOM 1281 CG GLU A 82 1.255 -5.740 5.097 1.00 0.00 C ATOM 1282 CD GLU A 82 1.622 -5.822 3.606 1.00 0.00 C ATOM 1283 OE1 GLU A 82 2.729 -6.287 3.229 1.00 0.00 O ATOM 1284 OE2 GLU A 82 0.756 -5.465 2.774 1.00 0.00 O ATOM 0 H GLU A 82 1.580 -7.779 6.995 1.00 0.00 H new ATOM 0 HA GLU A 82 3.845 -6.969 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.012 -5.229 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.053 -4.736 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.725 -6.653 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.556 -4.914 5.230 1.00 0.00 H new ATOM 1291 N ASP A 83 4.545 -7.486 8.355 1.00 0.00 N ATOM 1292 CA ASP A 83 5.516 -7.444 9.452 1.00 0.00 C ATOM 1293 C ASP A 83 5.334 -6.235 10.370 1.00 0.00 C ATOM 1294 O ASP A 83 6.213 -5.875 11.153 1.00 0.00 O ATOM 1295 CB ASP A 83 6.959 -7.558 8.934 1.00 0.00 C ATOM 1296 CG ASP A 83 7.675 -8.710 9.604 1.00 0.00 C ATOM 1297 OD1 ASP A 83 7.328 -9.868 9.271 1.00 0.00 O ATOM 1298 OD2 ASP A 83 8.497 -8.462 10.511 1.00 0.00 O ATOM 0 H ASP A 83 3.989 -8.341 8.367 1.00 0.00 H new ATOM 0 HA ASP A 83 5.316 -8.320 10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.953 -7.705 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.495 -6.628 9.126 1.00 0.00 H new ATOM 1303 N CYS A 84 4.191 -5.567 10.287 1.00 0.00 N ATOM 1304 CA CYS A 84 3.795 -4.545 11.233 1.00 0.00 C ATOM 1305 C CYS A 84 3.666 -5.172 12.631 1.00 0.00 C ATOM 1306 O CYS A 84 3.407 -6.374 12.735 1.00 0.00 O ATOM 1307 CB CYS A 84 2.490 -3.893 10.757 1.00 0.00 C ATOM 1308 SG CYS A 84 1.383 -5.127 10.036 1.00 0.00 S ATOM 0 H CYS A 84 3.506 -5.726 9.548 1.00 0.00 H new ATOM 0 HA CYS A 84 4.548 -3.760 11.295 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.997 -3.401 11.595 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.711 -3.121 10.020 1.00 0.00 H new ATOM 0 HG CYS A 84 0.638 -4.565 9.131 1.00 0.00 H new ATOM 1314 N PRO A 85 3.827 -4.403 13.719 1.00 0.00 N ATOM 1315 CA PRO A 85 4.181 -2.985 13.762 1.00 0.00 C ATOM 1316 C PRO A 85 5.667 -2.710 13.463 1.00 0.00 C ATOM 1317 O PRO A 85 6.060 -1.544 13.451 1.00 0.00 O ATOM 1318 CB PRO A 85 3.803 -2.537 15.177 1.00 0.00 C ATOM 1319 CG PRO A 85 4.082 -3.787 16.005 1.00 0.00 C ATOM 1320 CD PRO A 85 3.653 -4.913 15.072 1.00 0.00 C ATOM 0 HA PRO A 85 3.653 -2.432 12.985 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.403 -1.689 15.508 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.758 -2.233 15.241 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.135 -3.866 16.276 1.00 0.00 H new ATOM 0 HG3 PRO A 85 3.512 -3.792 16.934 1.00 0.00 H new ATOM 0 HD2 PRO A 85 4.258 -5.805 15.233 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.616 -5.195 15.252 1.00 0.00 H new ATOM 1328 N SER A 86 6.504 -3.741 13.290 1.00 0.00 N ATOM 1329 CA SER A 86 7.927 -3.624 12.983 1.00 0.00 C ATOM 1330 C SER A 86 8.147 -2.870 11.669 1.00 0.00 C ATOM 1331 O SER A 86 8.571 -1.712 11.689 1.00 0.00 O ATOM 1332 CB SER A 86 8.558 -5.027 12.942 1.00 0.00 C ATOM 1333 OG SER A 86 9.187 -5.335 14.177 1.00 0.00 O ATOM 0 H SER A 86 6.194 -4.710 13.363 1.00 0.00 H new ATOM 0 HA SER A 86 8.415 -3.044 13.766 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.790 -5.769 12.725 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.288 -5.078 12.134 1.00 0.00 H new ATOM 0 HG SER A 86 9.580 -6.232 14.129 1.00 0.00 H new ATOM 1339 N MET A 87 7.899 -3.523 10.531 1.00 0.00 N ATOM 1340 CA MET A 87 8.217 -2.965 9.227 1.00 0.00 C ATOM 1341 C MET A 87 7.289 -1.782 8.967 1.00 0.00 C ATOM 1342 O MET A 87 7.721 -0.630 8.953 1.00 0.00 O ATOM 1343 CB MET A 87 8.097 -4.051 8.147 1.00 0.00 C ATOM 1344 CG MET A 87 9.325 -4.963 8.083 1.00 0.00 C ATOM 1345 SD MET A 87 9.313 -6.269 6.809 1.00 0.00 S ATOM 1346 CE MET A 87 8.753 -5.400 5.316 1.00 0.00 C ATOM 0 H MET A 87 7.474 -4.449 10.494 1.00 0.00 H new ATOM 0 HA MET A 87 9.246 -2.606 9.200 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.211 -4.655 8.343 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.951 -3.577 7.176 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.204 -4.339 7.922 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.446 -5.439 9.056 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.693 -6.104 4.486 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.770 -4.965 5.495 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.460 -4.608 5.069 1.00 0.00 H new ATOM 1356 N TYR A 88 6.004 -2.057 8.770 1.00 0.00 N ATOM 1357 CA TYR A 88 5.018 -1.009 8.528 1.00 0.00 C ATOM 1358 C TYR A 88 4.220 -0.756 9.807 1.00 0.00 C ATOM 1359 O TYR A 88 4.379 -1.449 10.812 1.00 0.00 O ATOM 1360 CB TYR A 88 4.131 -1.363 7.325 1.00 0.00 C ATOM 1361 CG TYR A 88 4.857 -1.439 5.989 1.00 0.00 C ATOM 1362 CD1 TYR A 88 5.080 -0.291 5.192 1.00 0.00 C ATOM 1363 CD2 TYR A 88 5.276 -2.695 5.523 1.00 0.00 C ATOM 1364 CE1 TYR A 88 5.704 -0.391 3.926 1.00 0.00 C ATOM 1365 CE2 TYR A 88 5.896 -2.814 4.273 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.102 -1.676 3.464 1.00 0.00 C ATOM 1367 OH TYR A 88 6.637 -1.872 2.231 1.00 0.00 O ATOM 0 H TYR A 88 5.619 -3.002 8.773 1.00 0.00 H new ATOM 0 HA TYR A 88 5.522 -0.078 8.267 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.652 -2.323 7.516 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.337 -0.621 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.769 0.677 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.120 -3.574 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.874 0.489 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.219 -3.784 3.925 1.00 0.00 H new ATOM 0 HH TYR A 88 7.102 -1.059 1.943 1.00 0.00 H new ATOM 1377 N GLN A 89 3.352 0.247 9.774 1.00 0.00 N ATOM 1378 CA GLN A 89 2.293 0.509 10.727 1.00 0.00 C ATOM 1379 C GLN A 89 1.079 0.914 9.881 1.00 0.00 C ATOM 1380 O GLN A 89 1.223 1.644 8.895 1.00 0.00 O ATOM 1381 CB GLN A 89 2.704 1.630 11.700 1.00 0.00 C ATOM 1382 CG GLN A 89 3.885 1.316 12.645 1.00 0.00 C ATOM 1383 CD GLN A 89 5.266 1.737 12.115 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.631 2.914 12.115 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.104 0.798 11.718 1.00 0.00 N ATOM 0 H GLN A 89 3.375 0.943 9.029 1.00 0.00 H new ATOM 0 HA GLN A 89 2.072 -0.360 11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.959 2.514 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.838 1.889 12.309 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.711 1.814 13.599 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.899 0.244 12.842 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.811 -0.179 11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.045 1.049 11.415 1.00 0.00 H new ATOM 1394 N ARG A 90 -0.112 0.403 10.194 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.347 0.795 9.515 1.00 0.00 C ATOM 1396 C ARG A 90 -1.748 2.177 10.013 1.00 0.00 C ATOM 1397 O ARG A 90 -1.702 2.435 11.216 1.00 0.00 O ATOM 1398 CB ARG A 90 -2.425 -0.274 9.766 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.869 0.146 9.409 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.684 0.686 10.599 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.738 -0.341 11.647 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.228 -0.311 12.885 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -5.949 0.700 13.355 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -4.990 -1.359 13.656 1.00 0.00 N ATOM 0 H ARG A 90 -0.248 -0.295 10.926 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.212 0.857 8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.171 -1.164 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.396 -0.555 10.819 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.831 0.910 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.391 -0.713 8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.226 1.596 10.987 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.692 0.949 10.277 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.328 -1.236 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.151 1.503 12.759 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.301 0.674 14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.451 -2.146 13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.346 -1.380 14.612 1.00 0.00 H new ATOM 1418 N THR A 91 -2.212 3.039 9.117 1.00 0.00 N ATOM 1419 CA THR A 91 -2.559 4.418 9.426 1.00 0.00 C ATOM 1420 C THR A 91 -3.810 4.793 8.638 1.00 0.00 C ATOM 1421 O THR A 91 -4.076 4.221 7.577 1.00 0.00 O ATOM 1422 CB THR A 91 -1.370 5.314 9.056 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.165 4.704 9.470 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.401 6.670 9.752 1.00 0.00 C ATOM 0 H THR A 91 -2.360 2.794 8.138 1.00 0.00 H new ATOM 0 HA THR A 91 -2.771 4.547 10.487 1.00 0.00 H new ATOM 0 HB THR A 91 -1.433 5.452 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.512 4.809 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.533 7.255 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.312 7.201 9.475 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.380 6.525 10.832 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.574 5.761 9.139 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.734 6.316 8.455 1.00 0.00 C ATOM 1434 C ALA A 92 -5.310 7.521 7.617 1.00 0.00 C ATOM 1435 O ALA A 92 -4.525 8.344 8.094 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.788 6.722 9.487 1.00 0.00 C ATOM 0 H ALA A 92 -4.399 6.188 10.049 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.163 5.566 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.656 7.137 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.090 5.847 10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.370 7.471 10.159 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.837 7.627 6.397 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.536 8.698 5.440 1.00 0.00 C ATOM 1444 C LEU A 93 -6.742 9.031 4.535 1.00 0.00 C ATOM 1445 O LEU A 93 -7.773 8.348 4.600 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.256 8.314 4.662 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.327 7.312 3.495 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -5.303 6.144 3.688 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -4.619 8.014 2.175 1.00 0.00 C ATOM 0 H LEU A 93 -6.507 6.949 6.034 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.343 9.629 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.828 9.236 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.545 7.916 5.386 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.333 6.866 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.276 5.499 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.015 5.571 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.313 6.532 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.662 7.277 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.575 8.533 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.829 8.735 1.964 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.614 10.065 3.696 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.647 10.568 2.771 1.00 0.00 C ATOM 1463 C GLN A 94 -7.404 10.060 1.333 1.00 0.00 C ATOM 1464 O GLN A 94 -6.375 10.364 0.715 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.655 12.108 2.841 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.852 12.836 2.218 1.00 0.00 C ATOM 1467 CD GLN A 94 -10.152 12.642 3.007 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -10.420 13.335 3.990 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -11.012 11.731 2.594 1.00 0.00 N ATOM 0 H GLN A 94 -5.749 10.602 3.637 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.625 10.190 3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.593 12.398 3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.749 12.472 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.629 13.901 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.996 12.479 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.794 11.155 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.895 11.602 3.088 1.00 0.00 H new ATOM 1478 N VAL A 95 -8.337 9.273 0.784 1.00 0.00 N ATOM 1479 CA VAL A 95 -8.205 8.573 -0.501 1.00 0.00 C ATOM 1480 C VAL A 95 -9.284 9.105 -1.439 1.00 0.00 C ATOM 1481 O VAL A 95 -10.456 9.107 -1.064 1.00 0.00 O ATOM 1482 CB VAL A 95 -8.334 7.046 -0.293 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -8.288 6.248 -1.603 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -7.206 6.506 0.592 1.00 0.00 C ATOM 0 H VAL A 95 -9.235 9.100 1.236 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.224 8.754 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.308 6.914 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.384 5.184 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.108 6.561 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.339 6.431 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.326 5.430 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.244 6.711 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.244 6.992 1.567 1.00 0.00 H new ATOM 1494 N GLN A 96 -8.936 9.615 -2.620 1.00 0.00 N ATOM 1495 CA GLN A 96 -9.928 10.051 -3.594 1.00 0.00 C ATOM 1496 C GLN A 96 -10.659 8.829 -4.119 1.00 0.00 C ATOM 1497 O GLN A 96 -10.038 7.801 -4.383 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.283 10.798 -4.765 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.336 11.532 -5.596 1.00 0.00 C ATOM 1500 CD GLN A 96 -9.792 12.635 -6.496 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.622 13.009 -6.455 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -10.632 13.166 -7.364 1.00 0.00 N ATOM 0 H GLN A 96 -7.970 9.735 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.618 10.737 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.551 11.512 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.743 10.093 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.861 10.804 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.073 11.966 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.602 12.851 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.312 13.891 -8.006 1.00 0.00 H new ATOM 1511 N VAL A 97 -11.957 8.966 -4.327 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.801 7.987 -4.971 1.00 0.00 C ATOM 1513 C VAL A 97 -12.681 8.224 -6.472 1.00 0.00 C ATOM 1514 O VAL A 97 -13.366 9.080 -7.040 1.00 0.00 O ATOM 1515 CB VAL A 97 -14.242 8.137 -4.450 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -15.149 7.057 -5.046 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.265 8.039 -2.920 1.00 0.00 C ATOM 0 H VAL A 97 -12.469 9.800 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.501 6.963 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.613 9.115 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.162 7.182 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -15.157 7.147 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.775 6.072 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.290 8.147 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -13.874 7.070 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.648 8.831 -2.495 1.00 0.00 H new ATOM 1527 N LEU A 98 -11.792 7.484 -7.134 1.00 0.00 N ATOM 1528 CA LEU A 98 -11.784 7.425 -8.593 1.00 0.00 C ATOM 1529 C LEU A 98 -13.052 6.728 -9.088 1.00 0.00 C ATOM 1530 O LEU A 98 -13.498 6.995 -10.201 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.555 6.653 -9.119 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.489 7.475 -9.847 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -10.088 8.218 -11.040 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -8.715 8.382 -8.885 1.00 0.00 C ATOM 0 H LEU A 98 -11.071 6.920 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.741 8.448 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.081 6.152 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.906 5.874 -9.796 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.748 6.788 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.308 8.794 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.512 7.499 -11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.871 8.892 -10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.968 8.949 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.406 9.071 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.220 7.772 -8.129 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.602 5.800 -8.304 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.812 5.052 -8.615 1.00 0.00 C ATOM 1548 C GLU A 99 -15.278 4.407 -7.317 1.00 0.00 C ATOM 1549 O GLU A 99 -14.443 4.111 -6.462 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.457 3.972 -9.649 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.617 3.534 -10.546 1.00 0.00 C ATOM 1552 CD GLU A 99 -15.078 2.834 -11.801 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -14.296 3.467 -12.545 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -15.313 1.612 -11.980 1.00 0.00 O ATOM 0 H GLU A 99 -13.199 5.542 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.597 5.688 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.650 4.344 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.073 3.098 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.276 2.860 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.214 4.400 -10.831 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.570 4.137 -7.195 1.00 0.00 N ATOM 1562 CA TRP A 100 -17.161 3.388 -6.100 1.00 0.00 C ATOM 1563 C TRP A 100 -18.083 2.349 -6.727 1.00 0.00 C ATOM 1564 O TRP A 100 -18.821 2.662 -7.669 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.913 4.332 -5.149 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.352 3.726 -3.843 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.629 3.525 -3.436 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.518 3.296 -2.722 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.627 2.955 -2.179 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.358 2.825 -1.675 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -16.135 3.311 -2.452 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -17.862 2.390 -0.436 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.623 2.902 -1.206 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.480 2.437 -0.196 1.00 0.00 C ATOM 0 H TRP A 100 -17.258 4.446 -7.882 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.401 2.892 -5.496 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -17.273 5.188 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.793 4.714 -5.666 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.512 3.773 -4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.470 2.665 -1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.452 3.644 -3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -18.536 2.023 0.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.559 2.946 -1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -16.080 2.119 0.755 1.00 0.00 H new ATOM 1585 N GLU A 101 -18.038 1.125 -6.209 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.970 0.063 -6.562 1.00 0.00 C ATOM 1587 C GLU A 101 -19.760 -0.324 -5.320 1.00 0.00 C ATOM 1588 O GLU A 101 -19.182 -0.904 -4.407 1.00 0.00 O ATOM 1589 CB GLU A 101 -18.221 -1.157 -7.132 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.577 -0.841 -8.493 1.00 0.00 C ATOM 1591 CD GLU A 101 -17.640 -1.950 -9.557 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -18.517 -2.840 -9.526 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -16.889 -1.842 -10.564 1.00 0.00 O ATOM 0 H GLU A 101 -17.341 0.840 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.651 0.419 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.450 -1.473 -6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.914 -1.991 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -18.058 0.049 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.530 -0.589 -8.325 1.00 0.00 H new ATOM 1600 N GLY A 102 -21.057 -0.031 -5.268 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.961 -0.471 -4.214 1.00 0.00 C ATOM 1602 C GLY A 102 -22.497 0.691 -3.398 1.00 0.00 C ATOM 1603 O GLY A 102 -22.328 1.866 -3.734 1.00 0.00 O ATOM 0 H GLY A 102 -21.519 0.535 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.794 -1.017 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.439 -1.165 -3.556 1.00 0.00 H new ATOM 1607 N ASP A 103 -23.200 0.344 -2.323 1.00 0.00 N ATOM 1608 CA ASP A 103 -23.818 1.309 -1.428 1.00 0.00 C ATOM 1609 C ASP A 103 -22.752 2.048 -0.612 1.00 0.00 C ATOM 1610 O ASP A 103 -21.597 1.619 -0.546 1.00 0.00 O ATOM 1611 CB ASP A 103 -24.801 0.588 -0.501 1.00 0.00 C ATOM 1612 CG ASP A 103 -25.580 1.576 0.362 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -26.043 2.612 -0.183 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -25.630 1.399 1.598 1.00 0.00 O ATOM 0 H ASP A 103 -23.356 -0.626 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.360 2.047 -2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -25.496 -0.005 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -24.257 -0.106 0.139 1.00 0.00 H new ATOM 1619 N GLY A 104 -23.138 3.122 0.074 1.00 0.00 N ATOM 1620 CA GLY A 104 -22.296 3.761 1.064 1.00 0.00 C ATOM 1621 C GLY A 104 -21.235 4.623 0.401 1.00 0.00 C ATOM 1622 O GLY A 104 -20.055 4.360 0.578 1.00 0.00 O ATOM 0 H GLY A 104 -24.047 3.569 -0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -22.908 4.375 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -21.818 3.003 1.684 1.00 0.00 H new ATOM 1626 N ASP A 105 -21.674 5.720 -0.209 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.980 6.669 -1.078 1.00 0.00 C ATOM 1628 C ASP A 105 -20.612 7.924 -0.272 1.00 0.00 C ATOM 1629 O ASP A 105 -21.447 8.816 -0.088 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.893 7.060 -2.250 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.430 8.339 -2.963 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -20.223 8.516 -3.230 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -22.284 9.243 -3.142 1.00 0.00 O ATOM 0 H ASP A 105 -22.648 6.000 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 105 -20.073 6.207 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.926 6.241 -2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.909 7.202 -1.882 1.00 0.00 H new ATOM 1638 N PRO A 106 -19.441 7.937 0.388 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.990 9.052 1.215 1.00 0.00 C ATOM 1640 C PRO A 106 -18.921 10.383 0.451 1.00 0.00 C ATOM 1641 O PRO A 106 -19.269 11.415 1.029 1.00 0.00 O ATOM 1642 CB PRO A 106 -17.620 8.646 1.756 1.00 0.00 C ATOM 1643 CG PRO A 106 -17.112 7.681 0.700 1.00 0.00 C ATOM 1644 CD PRO A 106 -18.366 6.970 0.231 1.00 0.00 C ATOM 0 HA PRO A 106 -19.705 9.236 2.017 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -16.959 9.506 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.696 8.171 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.619 8.206 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.386 6.981 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.272 6.652 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.554 6.074 0.823 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.501 10.391 -0.819 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.212 11.614 -1.561 1.00 0.00 C ATOM 1654 C GLY A 107 -17.069 11.408 -2.549 1.00 0.00 C ATOM 1655 O GLY A 107 -16.739 10.273 -2.889 1.00 0.00 O ATOM 0 H GLY A 107 -18.352 9.540 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.105 11.936 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.954 12.412 -0.864 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.456 12.511 -2.992 1.00 0.00 N ATOM 1660 CA ASP A 108 -15.281 12.524 -3.877 1.00 0.00 C ATOM 1661 C ASP A 108 -14.062 11.891 -3.208 1.00 0.00 C ATOM 1662 O ASP A 108 -13.156 11.422 -3.883 1.00 0.00 O ATOM 1663 CB ASP A 108 -14.938 13.978 -4.238 1.00 0.00 C ATOM 1664 CG ASP A 108 -13.766 14.173 -5.213 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -13.463 13.304 -6.059 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -13.189 15.284 -5.193 1.00 0.00 O ATOM 0 H ASP A 108 -16.771 13.447 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.527 11.945 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.824 14.443 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.712 14.516 -3.317 1.00 0.00 H new ATOM 1671 N SER A 109 -14.012 11.835 -1.877 1.00 0.00 N ATOM 1672 CA SER A 109 -12.938 11.173 -1.159 1.00 0.00 C ATOM 1673 C SER A 109 -13.521 10.416 0.032 1.00 0.00 C ATOM 1674 O SER A 109 -14.654 10.672 0.450 1.00 0.00 O ATOM 1675 CB SER A 109 -11.869 12.207 -0.784 1.00 0.00 C ATOM 1676 OG SER A 109 -10.682 11.606 -0.322 1.00 0.00 O ATOM 0 H SER A 109 -14.720 12.250 -1.271 1.00 0.00 H new ATOM 0 HA SER A 109 -12.440 10.429 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.646 12.826 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.262 12.869 -0.013 1.00 0.00 H new ATOM 0 HG SER A 109 -10.739 10.635 -0.441 1.00 0.00 H new ATOM 1682 N VAL A 110 -12.726 9.507 0.588 1.00 0.00 N ATOM 1683 CA VAL A 110 -13.097 8.592 1.645 1.00 0.00 C ATOM 1684 C VAL A 110 -11.920 8.452 2.619 1.00 0.00 C ATOM 1685 O VAL A 110 -10.759 8.634 2.233 1.00 0.00 O ATOM 1686 CB VAL A 110 -13.545 7.270 0.987 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -12.461 6.570 0.157 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -14.109 6.301 2.028 1.00 0.00 C ATOM 0 H VAL A 110 -11.757 9.388 0.293 1.00 0.00 H new ATOM 0 HA VAL A 110 -13.935 8.952 2.242 1.00 0.00 H new ATOM 0 HB VAL A 110 -14.326 7.560 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.865 5.651 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.137 7.229 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.610 6.332 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -14.417 5.378 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -13.343 6.079 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -14.970 6.755 2.519 1.00 0.00 H new ATOM 1698 N GLN A 111 -12.209 8.133 3.883 1.00 0.00 N ATOM 1699 CA GLN A 111 -11.210 7.732 4.863 1.00 0.00 C ATOM 1700 C GLN A 111 -10.957 6.238 4.654 1.00 0.00 C ATOM 1701 O GLN A 111 -11.882 5.434 4.781 1.00 0.00 O ATOM 1702 CB GLN A 111 -11.711 8.072 6.282 1.00 0.00 C ATOM 1703 CG GLN A 111 -10.657 7.923 7.397 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.658 6.563 8.107 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -11.337 6.359 9.111 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.832 5.623 7.677 1.00 0.00 N ATOM 0 H GLN A 111 -13.159 8.148 4.255 1.00 0.00 H new ATOM 0 HA GLN A 111 -10.268 8.267 4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.079 9.098 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.559 7.428 6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.669 8.092 6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.821 8.704 8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.265 5.784 6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.762 4.737 8.178 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.718 5.856 4.340 1.00 0.00 N ATOM 1716 CA CYS A 112 -9.289 4.456 4.277 1.00 0.00 C ATOM 1717 C CYS A 112 -8.122 4.244 5.238 1.00 0.00 C ATOM 1718 O CYS A 112 -7.639 5.199 5.856 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.884 4.071 2.846 1.00 0.00 C ATOM 1720 SG CYS A 112 -10.327 4.067 1.750 1.00 0.00 S ATOM 0 H CYS A 112 -8.974 6.518 4.119 1.00 0.00 H new ATOM 0 HA CYS A 112 -10.121 3.816 4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -8.139 4.774 2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -8.419 3.085 2.847 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.957 3.741 0.547 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.663 2.998 5.356 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.416 2.649 6.022 1.00 0.00 C ATOM 1728 C PHE A 113 -5.396 2.274 4.939 1.00 0.00 C ATOM 1729 O PHE A 113 -5.773 1.702 3.911 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.675 1.525 7.046 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.768 1.840 8.054 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.695 2.997 8.854 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.889 0.997 8.159 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.772 3.350 9.687 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.969 1.353 8.986 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.924 2.547 9.725 1.00 0.00 C ATOM 0 H PHE A 113 -8.160 2.190 4.983 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.007 3.484 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.943 0.615 6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.749 1.318 7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.810 3.615 8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.920 0.072 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.713 4.239 10.298 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.833 0.709 9.053 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.773 2.847 10.321 1.00 0.00 H new ATOM 1746 N VAL A 114 -4.128 2.622 5.151 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.973 2.304 4.312 1.00 0.00 C ATOM 1748 C VAL A 114 -1.854 1.909 5.267 1.00 0.00 C ATOM 1749 O VAL A 114 -1.765 2.440 6.376 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.579 3.528 3.447 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -1.188 3.462 2.805 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.533 3.686 2.269 1.00 0.00 C ATOM 0 H VAL A 114 -3.862 3.171 5.969 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.189 1.494 3.616 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.609 4.351 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.013 4.366 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.431 3.380 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.130 2.592 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.238 4.551 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.496 2.791 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.548 3.829 2.640 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.992 0.984 4.853 1.00 0.00 N ATOM 1763 CA TYR A 115 0.265 0.761 5.546 1.00 0.00 C ATOM 1764 C TYR A 115 1.246 1.860 5.192 1.00 0.00 C ATOM 1765 O TYR A 115 1.505 2.126 4.017 1.00 0.00 O ATOM 1766 CB TYR A 115 0.834 -0.601 5.186 1.00 0.00 C ATOM 1767 CG TYR A 115 0.120 -1.683 5.945 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.401 -1.865 7.313 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.875 -2.443 5.308 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.284 -2.844 8.041 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.570 -3.417 6.036 1.00 0.00 C ATOM 1772 CZ TYR A 115 -1.239 -3.640 7.387 1.00 0.00 C ATOM 1773 OH TYR A 115 -1.860 -4.614 8.079 1.00 0.00 O ATOM 0 H TYR A 115 -1.144 0.381 4.044 1.00 0.00 H new ATOM 0 HA TYR A 115 0.087 0.781 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.734 -0.773 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.899 -0.629 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.144 -1.250 7.799 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.102 -2.278 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.081 -2.986 9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.353 -3.992 5.565 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.829 -4.541 7.949 1.00 0.00 H new ATOM 1783 N THR A 116 1.812 2.483 6.214 1.00 0.00 N ATOM 1784 CA THR A 116 2.887 3.452 6.132 1.00 0.00 C ATOM 1785 C THR A 116 3.940 3.030 7.164 1.00 0.00 C ATOM 1786 O THR A 116 3.960 1.881 7.596 1.00 0.00 O ATOM 1787 CB THR A 116 2.319 4.874 6.298 1.00 0.00 C ATOM 1788 OG1 THR A 116 1.630 5.033 7.518 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.308 5.216 5.199 1.00 0.00 C ATOM 0 H THR A 116 1.515 2.315 7.175 1.00 0.00 H new ATOM 0 HA THR A 116 3.379 3.476 5.160 1.00 0.00 H new ATOM 0 HB THR A 116 3.189 5.529 6.253 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.344 5.966 7.613 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.932 6.227 5.353 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.794 5.154 4.225 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.478 4.510 5.236 1.00 0.00 H new ATOM 1797 N THR A 117 4.876 3.898 7.519 1.00 0.00 N ATOM 1798 CA THR A 117 5.764 3.682 8.656 1.00 0.00 C ATOM 1799 C THR A 117 6.093 5.065 9.207 1.00 0.00 C ATOM 1800 O THR A 117 6.062 6.042 8.449 1.00 0.00 O ATOM 1801 CB THR A 117 7.001 2.850 8.234 1.00 0.00 C ATOM 1802 OG1 THR A 117 7.997 2.873 9.239 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.612 3.308 6.896 1.00 0.00 C ATOM 0 H THR A 117 5.043 4.775 7.026 1.00 0.00 H new ATOM 0 HA THR A 117 5.301 3.090 9.445 1.00 0.00 H new ATOM 0 HB THR A 117 6.639 1.831 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.766 2.339 8.949 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.474 2.685 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.868 3.215 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.927 4.348 6.977 1.00 0.00 H new ATOM 1811 N ALA A 118 6.421 5.144 10.497 1.00 0.00 N ATOM 1812 CA ALA A 118 6.865 6.346 11.188 1.00 0.00 C ATOM 1813 C ALA A 118 8.299 6.207 11.708 1.00 0.00 C ATOM 1814 O ALA A 118 9.039 7.190 11.742 1.00 0.00 O ATOM 1815 CB ALA A 118 5.923 6.623 12.355 1.00 0.00 C ATOM 0 H ALA A 118 6.381 4.332 11.113 1.00 0.00 H new ATOM 0 HA ALA A 118 6.850 7.173 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.248 7.522 12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.910 6.768 11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.937 5.777 13.042 1.00 0.00 H new ATOM 1821 N THR A 119 8.721 4.999 12.084 1.00 0.00 N ATOM 1822 CA THR A 119 9.931 4.765 12.883 1.00 0.00 C ATOM 1823 C THR A 119 11.172 4.527 11.990 1.00 0.00 C ATOM 1824 O THR A 119 12.171 3.948 12.428 1.00 0.00 O ATOM 1825 CB THR A 119 9.587 3.691 13.948 1.00 0.00 C ATOM 1826 OG1 THR A 119 10.599 3.465 14.915 1.00 0.00 O ATOM 1827 CG2 THR A 119 9.175 2.337 13.373 1.00 0.00 C ATOM 0 H THR A 119 8.226 4.141 11.840 1.00 0.00 H new ATOM 0 HA THR A 119 10.244 5.647 13.441 1.00 0.00 H new ATOM 0 HB THR A 119 8.728 4.147 14.440 1.00 0.00 H new ATOM 0 HG1 THR A 119 11.479 3.532 14.489 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.953 1.648 14.188 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.289 2.461 12.750 1.00 0.00 H new ATOM 0 HG23 THR A 119 9.989 1.935 12.770 1.00 0.00 H new ATOM 1835 N TYR A 120 11.096 4.976 10.732 1.00 0.00 N ATOM 1836 CA TYR A 120 12.063 4.788 9.656 1.00 0.00 C ATOM 1837 C TYR A 120 13.345 5.613 9.845 1.00 0.00 C ATOM 1838 O TYR A 120 13.324 6.698 10.446 1.00 0.00 O ATOM 1839 CB TYR A 120 11.376 5.165 8.336 1.00 0.00 C ATOM 1840 CG TYR A 120 10.685 6.522 8.328 1.00 0.00 C ATOM 1841 CD1 TYR A 120 11.409 7.684 8.013 1.00 0.00 C ATOM 1842 CD2 TYR A 120 9.304 6.619 8.578 1.00 0.00 C ATOM 1843 CE1 TYR A 120 10.768 8.935 7.962 1.00 0.00 C ATOM 1844 CE2 TYR A 120 8.650 7.865 8.497 1.00 0.00 C ATOM 1845 CZ TYR A 120 9.377 9.030 8.182 1.00 0.00 C ATOM 1846 OH TYR A 120 8.740 10.232 8.076 1.00 0.00 O ATOM 0 H TYR A 120 10.293 5.522 10.421 1.00 0.00 H new ATOM 0 HA TYR A 120 12.379 3.745 9.655 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.121 5.150 7.540 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.639 4.399 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 120 12.467 7.616 7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.741 5.733 8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 120 11.342 9.826 7.754 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.587 7.927 8.677 1.00 0.00 H new ATOM 0 HH TYR A 120 7.785 10.113 8.259 1.00 0.00 H new ATOM 1856 N ALA A 121 14.441 5.121 9.258 1.00 0.00 N ATOM 1857 CA ALA A 121 15.785 5.697 9.297 1.00 0.00 C ATOM 1858 C ALA A 121 15.852 7.067 8.591 1.00 0.00 C ATOM 1859 O ALA A 121 14.977 7.378 7.775 1.00 0.00 O ATOM 1860 CB ALA A 121 16.734 4.699 8.622 1.00 0.00 C ATOM 0 H ALA A 121 14.410 4.260 8.712 1.00 0.00 H new ATOM 0 HA ALA A 121 16.073 5.872 10.334 1.00 0.00 H new ATOM 0 HB1 ALA A 121 17.749 5.097 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 121 16.710 3.752 9.161 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.419 4.537 7.591 1.00 0.00 H new ATOM 1866 N PRO A 122 16.867 7.914 8.858 1.00 0.00 N ATOM 1867 CA PRO A 122 16.997 9.203 8.190 1.00 0.00 C ATOM 1868 C PRO A 122 17.344 9.063 6.715 1.00 0.00 C ATOM 1869 O PRO A 122 16.794 9.810 5.912 1.00 0.00 O ATOM 1870 CB PRO A 122 18.068 9.986 8.942 1.00 0.00 C ATOM 1871 CG PRO A 122 18.863 8.930 9.699 1.00 0.00 C ATOM 1872 CD PRO A 122 17.886 7.769 9.887 1.00 0.00 C ATOM 0 HA PRO A 122 16.042 9.728 8.210 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.705 10.544 8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 122 17.623 10.710 9.624 1.00 0.00 H new ATOM 0 HG2 PRO A 122 19.744 8.619 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 122 19.215 9.311 10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.399 6.812 9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 122 17.440 7.795 10.881 1.00 0.00 H new ATOM 1880 N GLU A 123 18.207 8.113 6.344 1.00 0.00 N ATOM 1881 CA GLU A 123 18.590 7.882 4.952 1.00 0.00 C ATOM 1882 C GLU A 123 17.427 7.869 3.980 1.00 0.00 C ATOM 1883 O GLU A 123 17.529 8.457 2.907 1.00 0.00 O ATOM 1884 CB GLU A 123 19.504 6.664 4.755 1.00 0.00 C ATOM 1885 CG GLU A 123 19.450 5.552 5.819 1.00 0.00 C ATOM 1886 CD GLU A 123 20.577 5.798 6.819 1.00 0.00 C ATOM 1887 OE1 GLU A 123 20.447 6.743 7.627 1.00 0.00 O ATOM 1888 OE2 GLU A 123 21.685 5.241 6.621 1.00 0.00 O ATOM 0 H GLU A 123 18.660 7.481 7.004 1.00 0.00 H new ATOM 0 HA GLU A 123 19.183 8.762 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.265 6.217 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.532 7.022 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.485 5.556 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.562 4.573 5.353 1.00 0.00 H new ATOM 1895 N TRP A 124 16.324 7.241 4.362 1.00 0.00 N ATOM 1896 CA TRP A 124 15.173 7.006 3.541 1.00 0.00 C ATOM 1897 C TRP A 124 14.484 8.304 3.120 1.00 0.00 C ATOM 1898 O TRP A 124 13.764 8.320 2.126 1.00 0.00 O ATOM 1899 CB TRP A 124 14.256 6.074 4.316 1.00 0.00 C ATOM 1900 CG TRP A 124 14.832 4.736 4.683 1.00 0.00 C ATOM 1901 CD1 TRP A 124 16.095 4.273 4.496 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.093 3.622 5.244 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.190 2.975 4.956 1.00 0.00 N ATOM 1904 CE2 TRP A 124 14.981 2.524 5.428 1.00 0.00 C ATOM 1905 CE3 TRP A 124 12.732 3.426 5.541 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 14.544 1.288 5.913 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.293 2.212 6.097 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.195 1.145 6.267 1.00 0.00 C ATOM 0 H TRP A 124 16.215 6.867 5.305 1.00 0.00 H new ATOM 0 HA TRP A 124 15.465 6.540 2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 124 13.949 6.578 5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.355 5.909 3.725 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.904 4.836 4.054 1.00 0.00 H new ATOM 0 HE1 TRP A 124 17.047 2.422 4.947 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.020 4.213 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.231 0.461 6.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.261 2.098 6.394 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.845 0.208 6.674 1.00 0.00 H new ATOM 1919 N LEU A 125 14.750 9.416 3.810 1.00 0.00 N ATOM 1920 CA LEU A 125 14.277 10.739 3.427 1.00 0.00 C ATOM 1921 C LEU A 125 14.935 11.222 2.125 1.00 0.00 C ATOM 1922 O LEU A 125 14.414 12.169 1.535 1.00 0.00 O ATOM 1923 CB LEU A 125 14.588 11.751 4.547 1.00 0.00 C ATOM 1924 CG LEU A 125 13.911 11.464 5.906 1.00 0.00 C ATOM 1925 CD1 LEU A 125 14.645 12.223 7.012 1.00 0.00 C ATOM 1926 CD2 LEU A 125 12.423 11.848 5.896 1.00 0.00 C ATOM 0 H LEU A 125 15.309 9.417 4.663 1.00 0.00 H new ATOM 0 HA LEU A 125 13.201 10.669 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.667 11.781 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.285 12.743 4.212 1.00 0.00 H new ATOM 0 HG LEU A 125 13.969 10.392 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.168 12.021 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.685 11.897 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.607 13.293 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 125 11.985 11.630 6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.323 12.912 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.904 11.274 5.128 1.00 0.00 H new ATOM 1938 N PHE A 126 16.051 10.632 1.681 1.00 0.00 N ATOM 1939 CA PHE A 126 16.882 11.167 0.592 1.00 0.00 C ATOM 1940 C PHE A 126 16.662 10.429 -0.729 1.00 0.00 C ATOM 1941 O PHE A 126 17.245 10.768 -1.760 1.00 0.00 O ATOM 1942 CB PHE A 126 18.365 11.065 0.980 1.00 0.00 C ATOM 1943 CG PHE A 126 18.738 11.732 2.299 1.00 0.00 C ATOM 1944 CD1 PHE A 126 18.373 13.062 2.587 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.400 10.979 3.283 1.00 0.00 C ATOM 1946 CE1 PHE A 126 18.628 13.603 3.863 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.607 11.492 4.572 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.217 12.810 4.866 1.00 0.00 C ATOM 0 H PHE A 126 16.408 9.760 2.071 1.00 0.00 H new ATOM 0 HA PHE A 126 16.590 12.207 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.638 10.011 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.964 11.509 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 126 17.897 13.667 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.756 9.988 3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 126 18.370 14.631 4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.063 10.878 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.368 13.212 5.857 1.00 0.00 H new ATOM 1958 N LEU A 127 15.878 9.360 -0.685 1.00 0.00 N ATOM 1959 CA LEU A 127 15.614 8.461 -1.789 1.00 0.00 C ATOM 1960 C LEU A 127 14.721 9.189 -2.793 1.00 0.00 C ATOM 1961 O LEU A 127 13.988 10.107 -2.401 1.00 0.00 O ATOM 1962 CB LEU A 127 14.883 7.249 -1.199 1.00 0.00 C ATOM 1963 CG LEU A 127 15.733 6.241 -0.401 1.00 0.00 C ATOM 1964 CD1 LEU A 127 16.555 5.342 -1.317 1.00 0.00 C ATOM 1965 CD2 LEU A 127 16.739 6.822 0.543 1.00 0.00 C ATOM 0 H LEU A 127 15.387 9.087 0.166 1.00 0.00 H new ATOM 0 HA LEU A 127 16.525 8.143 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.091 7.616 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 127 14.400 6.713 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 127 14.966 5.715 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 127 17.140 4.646 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 127 15.887 4.782 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 127 17.227 5.953 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 127 17.274 6.016 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 127 17.447 7.437 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 127 16.229 7.437 1.285 1.00 0.00 H new ATOM 1977 N PRO A 128 14.718 8.778 -4.070 1.00 0.00 N ATOM 1978 CA PRO A 128 13.802 9.336 -5.045 1.00 0.00 C ATOM 1979 C PRO A 128 12.372 9.047 -4.603 1.00 0.00 C ATOM 1980 O PRO A 128 12.070 7.974 -4.075 1.00 0.00 O ATOM 1981 CB PRO A 128 14.150 8.684 -6.381 1.00 0.00 C ATOM 1982 CG PRO A 128 14.795 7.364 -5.971 1.00 0.00 C ATOM 1983 CD PRO A 128 15.495 7.701 -4.656 1.00 0.00 C ATOM 0 HA PRO A 128 13.887 10.419 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.263 8.525 -6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.833 9.302 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.051 6.578 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 128 15.501 7.012 -6.723 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.527 6.835 -3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.526 8.009 -4.828 1.00 0.00 H new ATOM 1991 N TYR A 129 11.507 10.034 -4.797 1.00 0.00 N ATOM 1992 CA TYR A 129 10.080 9.892 -4.593 1.00 0.00 C ATOM 1993 C TYR A 129 9.501 9.234 -5.833 1.00 0.00 C ATOM 1994 O TYR A 129 10.087 9.281 -6.920 1.00 0.00 O ATOM 1995 CB TYR A 129 9.443 11.264 -4.330 1.00 0.00 C ATOM 1996 CG TYR A 129 10.069 12.090 -3.219 1.00 0.00 C ATOM 1997 CD1 TYR A 129 10.853 11.479 -2.217 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.845 13.481 -3.172 1.00 0.00 C ATOM 1999 CE1 TYR A 129 11.473 12.256 -1.221 1.00 0.00 C ATOM 2000 CE2 TYR A 129 10.441 14.257 -2.164 1.00 0.00 C ATOM 2001 CZ TYR A 129 11.287 13.658 -1.206 1.00 0.00 C ATOM 2002 OH TYR A 129 11.833 14.437 -0.235 1.00 0.00 O ATOM 0 H TYR A 129 11.785 10.966 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 129 9.870 9.273 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.483 11.843 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.390 11.114 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 129 10.978 10.406 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.214 13.951 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 129 12.089 11.783 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 129 10.251 15.319 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 129 11.595 15.374 -0.395 1.00 0.00 H new ATOM 2012 N HIS A 130 8.336 8.620 -5.675 1.00 0.00 N ATOM 2013 CA HIS A 130 7.629 7.975 -6.778 1.00 0.00 C ATOM 2014 C HIS A 130 6.131 8.273 -6.708 1.00 0.00 C ATOM 2015 O HIS A 130 5.603 8.526 -5.624 1.00 0.00 O ATOM 2016 CB HIS A 130 7.882 6.465 -6.725 1.00 0.00 C ATOM 2017 CG HIS A 130 9.318 6.032 -6.898 1.00 0.00 C ATOM 2018 ND1 HIS A 130 9.862 5.476 -8.036 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.295 6.063 -5.936 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.140 5.164 -7.757 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.443 5.492 -6.492 1.00 0.00 N ATOM 0 H HIS A 130 7.853 8.554 -4.779 1.00 0.00 H new ATOM 0 HA HIS A 130 8.003 8.370 -7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.522 6.089 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.283 5.988 -7.500 1.00 0.00 H new ATOM 0 HD1 HIS A 130 9.384 5.329 -8.925 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.196 6.456 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 130 11.828 4.711 -8.456 1.00 0.00 H new ATOM 2029 N GLU A 131 5.450 8.195 -7.857 1.00 0.00 N ATOM 2030 CA GLU A 131 4.026 8.531 -7.994 1.00 0.00 C ATOM 2031 C GLU A 131 3.118 7.290 -8.028 1.00 0.00 C ATOM 2032 O GLU A 131 1.889 7.364 -8.067 1.00 0.00 O ATOM 2033 CB GLU A 131 3.816 9.350 -9.274 1.00 0.00 C ATOM 2034 CG GLU A 131 3.182 10.721 -9.022 1.00 0.00 C ATOM 2035 CD GLU A 131 2.939 11.387 -10.381 1.00 0.00 C ATOM 2036 OE1 GLU A 131 3.944 11.636 -11.098 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.772 11.591 -10.790 1.00 0.00 O ATOM 0 H GLU A 131 5.878 7.892 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 131 3.747 9.110 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.777 9.488 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 131 3.182 8.785 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.244 10.613 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 131 3.838 11.337 -8.407 1.00 0.00 H new ATOM 2044 N SER A 132 3.719 6.110 -8.119 1.00 0.00 N ATOM 2045 CA SER A 132 3.090 4.813 -8.085 1.00 0.00 C ATOM 2046 C SER A 132 4.202 3.830 -7.750 1.00 0.00 C ATOM 2047 O SER A 132 5.373 4.075 -8.082 1.00 0.00 O ATOM 2048 CB SER A 132 2.438 4.485 -9.440 1.00 0.00 C ATOM 2049 OG SER A 132 2.158 5.610 -10.269 1.00 0.00 O ATOM 0 H SER A 132 4.731 6.039 -8.226 1.00 0.00 H new ATOM 0 HA SER A 132 2.288 4.769 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.094 3.807 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.507 3.949 -9.256 1.00 0.00 H new ATOM 0 HG SER A 132 1.748 5.306 -11.106 1.00 0.00 H new ATOM 2055 N TYR A 133 3.841 2.736 -7.091 1.00 0.00 N ATOM 2056 CA TYR A 133 4.699 1.583 -6.930 1.00 0.00 C ATOM 2057 C TYR A 133 4.176 0.489 -7.841 1.00 0.00 C ATOM 2058 O TYR A 133 2.974 0.380 -8.086 1.00 0.00 O ATOM 2059 CB TYR A 133 4.728 1.123 -5.473 1.00 0.00 C ATOM 2060 CG TYR A 133 5.484 -0.184 -5.305 1.00 0.00 C ATOM 2061 CD1 TYR A 133 6.893 -0.166 -5.337 1.00 0.00 C ATOM 2062 CD2 TYR A 133 4.798 -1.413 -5.263 1.00 0.00 C ATOM 2063 CE1 TYR A 133 7.617 -1.371 -5.362 1.00 0.00 C ATOM 2064 CE2 TYR A 133 5.516 -2.624 -5.280 1.00 0.00 C ATOM 2065 CZ TYR A 133 6.930 -2.604 -5.348 1.00 0.00 C ATOM 2066 OH TYR A 133 7.645 -3.760 -5.397 1.00 0.00 O ATOM 0 H TYR A 133 2.928 2.630 -6.649 1.00 0.00 H new ATOM 0 HA TYR A 133 5.725 1.834 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 133 5.194 1.893 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.707 1.001 -5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.419 0.777 -5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.719 -1.427 -5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 133 8.696 -1.353 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 133 4.989 -3.566 -5.241 1.00 0.00 H new ATOM 0 HH TYR A 133 7.032 -4.525 -5.379 1.00 0.00 H new ATOM 2076 N ASP A 134 5.091 -0.328 -8.331 1.00 0.00 N ATOM 2077 CA ASP A 134 4.839 -1.438 -9.219 1.00 0.00 C ATOM 2078 C ASP A 134 6.028 -2.378 -9.067 1.00 0.00 C ATOM 2079 O ASP A 134 7.037 -1.995 -8.472 1.00 0.00 O ATOM 2080 CB ASP A 134 4.740 -0.902 -10.653 1.00 0.00 C ATOM 2081 CG ASP A 134 3.460 -1.379 -11.313 1.00 0.00 C ATOM 2082 OD1 ASP A 134 3.339 -2.609 -11.519 1.00 0.00 O ATOM 2083 OD2 ASP A 134 2.600 -0.531 -11.649 1.00 0.00 O ATOM 0 H ASP A 134 6.080 -0.226 -8.105 1.00 0.00 H new ATOM 0 HA ASP A 134 3.910 -1.961 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 134 4.766 0.188 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.601 -1.236 -11.232 1.00 0.00 H new ATOM 2088 N SER A 135 5.954 -3.573 -9.646 1.00 0.00 N ATOM 2089 CA SER A 135 7.151 -4.362 -9.942 1.00 0.00 C ATOM 2090 C SER A 135 7.449 -4.305 -11.451 1.00 0.00 C ATOM 2091 O SER A 135 8.432 -4.895 -11.892 1.00 0.00 O ATOM 2092 CB SER A 135 7.012 -5.795 -9.394 1.00 0.00 C ATOM 2093 OG SER A 135 7.970 -6.122 -8.401 1.00 0.00 O ATOM 0 H SER A 135 5.078 -4.018 -9.921 1.00 0.00 H new ATOM 0 HA SER A 135 8.014 -3.934 -9.432 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.013 -5.919 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 135 7.103 -6.501 -10.220 1.00 0.00 H new ATOM 0 HG SER A 135 7.824 -7.042 -8.096 1.00 0.00 H new ATOM 2099 N GLU A 136 6.627 -3.592 -12.232 1.00 0.00 N ATOM 2100 CA GLU A 136 6.642 -3.541 -13.688 1.00 0.00 C ATOM 2101 C GLU A 136 6.550 -2.059 -14.084 1.00 0.00 C ATOM 2102 O GLU A 136 5.520 -1.567 -14.557 1.00 0.00 O ATOM 2103 CB GLU A 136 5.475 -4.393 -14.213 1.00 0.00 C ATOM 2104 CG GLU A 136 5.664 -5.895 -13.943 1.00 0.00 C ATOM 2105 CD GLU A 136 4.343 -6.650 -14.040 1.00 0.00 C ATOM 2106 OE1 GLU A 136 3.577 -6.457 -15.013 1.00 0.00 O ATOM 2107 OE2 GLU A 136 4.016 -7.396 -13.092 1.00 0.00 O ATOM 0 H GLU A 136 5.894 -3.004 -11.835 1.00 0.00 H new ATOM 0 HA GLU A 136 7.551 -3.952 -14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 136 4.548 -4.059 -13.746 1.00 0.00 H new ATOM 0 HB3 GLU A 136 5.368 -4.232 -15.286 1.00 0.00 H new ATOM 0 HG2 GLU A 136 6.374 -6.308 -14.659 1.00 0.00 H new ATOM 0 HG3 GLU A 136 6.093 -6.036 -12.951 1.00 0.00 H new ATOM 2114 N GLY A 137 7.616 -1.316 -13.791 1.00 0.00 N ATOM 2115 CA GLY A 137 7.695 0.136 -13.900 1.00 0.00 C ATOM 2116 C GLY A 137 8.929 0.601 -14.649 1.00 0.00 C ATOM 2117 O GLY A 137 9.759 -0.212 -15.071 1.00 0.00 O ATOM 0 H GLY A 137 8.486 -1.730 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 137 6.805 0.507 -14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 137 7.696 0.572 -12.901 1.00 0.00 H new ATOM 2121 N PRO A 138 9.166 1.919 -14.626 1.00 0.00 N ATOM 2122 CA PRO A 138 10.512 2.428 -14.458 1.00 0.00 C ATOM 2123 C PRO A 138 11.117 1.901 -13.147 1.00 0.00 C ATOM 2124 O PRO A 138 10.462 1.246 -12.330 1.00 0.00 O ATOM 2125 CB PRO A 138 10.368 3.953 -14.496 1.00 0.00 C ATOM 2126 CG PRO A 138 8.984 4.189 -13.895 1.00 0.00 C ATOM 2127 CD PRO A 138 8.192 2.976 -14.380 1.00 0.00 C ATOM 0 HA PRO A 138 11.200 2.099 -15.237 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.148 4.446 -13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.436 4.338 -15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.019 4.240 -12.807 1.00 0.00 H new ATOM 0 HG3 PRO A 138 8.546 5.124 -14.244 1.00 0.00 H new ATOM 0 HD2 PRO A 138 7.462 2.665 -13.633 1.00 0.00 H new ATOM 0 HD3 PRO A 138 7.638 3.212 -15.288 1.00 0.00 H new ATOM 2135 N HIS A 139 12.378 2.242 -12.944 1.00 0.00 N ATOM 2136 CA HIS A 139 13.255 1.889 -11.837 1.00 0.00 C ATOM 2137 C HIS A 139 13.200 0.397 -11.509 1.00 0.00 C ATOM 2138 O HIS A 139 12.395 -0.039 -10.684 1.00 0.00 O ATOM 2139 CB HIS A 139 12.990 2.774 -10.611 1.00 0.00 C ATOM 2140 CG HIS A 139 12.911 4.260 -10.864 1.00 0.00 C ATOM 2141 ND1 HIS A 139 13.934 5.164 -10.687 1.00 0.00 N ATOM 2142 CD2 HIS A 139 11.777 4.973 -11.147 1.00 0.00 C ATOM 2143 CE1 HIS A 139 13.425 6.395 -10.844 1.00 0.00 C ATOM 2144 NE2 HIS A 139 12.114 6.331 -11.123 1.00 0.00 N ATOM 0 H HIS A 139 12.864 2.833 -13.619 1.00 0.00 H new ATOM 0 HA HIS A 139 14.278 2.087 -12.156 1.00 0.00 H new ATOM 0 HB2 HIS A 139 12.053 2.454 -10.154 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.779 2.593 -9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 139 10.800 4.562 -11.352 1.00 0.00 H new ATOM 0 HE1 HIS A 139 13.992 7.310 -10.758 1.00 0.00 H new ATOM 0 HE2 HIS A 139 11.486 7.118 -11.286 1.00 0.00 H new ATOM 2152 N GLY A 140 14.071 -0.384 -12.146 1.00 0.00 N ATOM 2153 CA GLY A 140 14.303 -1.790 -11.830 1.00 0.00 C ATOM 2154 C GLY A 140 15.011 -1.977 -10.484 1.00 0.00 C ATOM 2155 O GLY A 140 16.119 -2.502 -10.429 1.00 0.00 O ATOM 0 H GLY A 140 14.649 -0.047 -12.916 1.00 0.00 H new ATOM 0 HA2 GLY A 140 13.349 -2.318 -11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 140 14.903 -2.243 -12.619 1.00 0.00 H new ATOM 2159 N LEU A 141 14.367 -1.537 -9.403 1.00 0.00 N ATOM 2160 CA LEU A 141 14.712 -1.775 -8.007 1.00 0.00 C ATOM 2161 C LEU A 141 13.410 -2.084 -7.276 1.00 0.00 C ATOM 2162 O LEU A 141 12.927 -1.285 -6.484 1.00 0.00 O ATOM 2163 CB LEU A 141 15.501 -0.607 -7.363 1.00 0.00 C ATOM 2164 CG LEU A 141 15.198 0.850 -7.777 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.765 1.320 -7.525 1.00 0.00 C ATOM 2166 CD2 LEU A 141 16.098 1.795 -6.974 1.00 0.00 C ATOM 0 H LEU A 141 13.529 -0.963 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 141 15.398 -2.618 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 141 15.357 -0.674 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.559 -0.785 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 141 15.371 0.871 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 141 13.659 2.355 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 141 13.072 0.691 -8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 141 13.541 1.250 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 141 15.890 2.826 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 141 15.902 1.667 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 141 17.143 1.565 -7.180 1.00 0.00 H new ATOM 2178 N ARG A 142 12.776 -3.221 -7.573 1.00 0.00 N ATOM 2179 CA ARG A 142 11.445 -3.527 -7.039 1.00 0.00 C ATOM 2180 C ARG A 142 11.497 -4.756 -6.139 1.00 0.00 C ATOM 2181 O ARG A 142 12.491 -5.486 -6.156 1.00 0.00 O ATOM 2182 CB ARG A 142 10.419 -3.633 -8.179 1.00 0.00 C ATOM 2183 CG ARG A 142 10.400 -2.415 -9.126 1.00 0.00 C ATOM 2184 CD ARG A 142 10.109 -1.104 -8.385 1.00 0.00 C ATOM 2185 NE ARG A 142 9.876 0.002 -9.323 1.00 0.00 N ATOM 2186 CZ ARG A 142 8.948 0.955 -9.209 1.00 0.00 C ATOM 2187 NH1 ARG A 142 8.198 1.040 -8.115 1.00 0.00 N ATOM 2188 NH2 ARG A 142 8.791 1.827 -10.192 1.00 0.00 N ATOM 0 H ARG A 142 13.162 -3.945 -8.180 1.00 0.00 H new ATOM 0 HA ARG A 142 11.107 -2.707 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.631 -4.529 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.426 -3.760 -7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.362 -2.337 -9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.645 -2.569 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 142 9.235 -1.232 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.947 -0.859 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 142 10.483 0.046 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 142 8.329 0.374 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 142 7.491 1.771 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.376 1.767 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 142 8.085 2.559 -10.116 1.00 0.00 H new ATOM 2202 N TYR A 143 10.464 -4.928 -5.313 1.00 0.00 N ATOM 2203 CA TYR A 143 10.540 -5.763 -4.122 1.00 0.00 C ATOM 2204 C TYR A 143 10.853 -7.213 -4.469 1.00 0.00 C ATOM 2205 O TYR A 143 10.321 -7.757 -5.441 1.00 0.00 O ATOM 2206 CB TYR A 143 9.246 -5.650 -3.304 1.00 0.00 C ATOM 2207 CG TYR A 143 9.283 -6.474 -2.035 1.00 0.00 C ATOM 2208 CD1 TYR A 143 10.322 -6.286 -1.103 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.333 -7.489 -1.829 1.00 0.00 C ATOM 2210 CE1 TYR A 143 10.453 -7.149 -0.004 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.446 -8.347 -0.727 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.520 -8.194 0.182 1.00 0.00 C ATOM 2213 OH TYR A 143 9.686 -9.066 1.215 1.00 0.00 O ATOM 0 H TYR A 143 9.553 -4.491 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 143 11.364 -5.399 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 143 9.073 -4.605 -3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.404 -5.972 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 143 11.021 -5.474 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.513 -7.608 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 143 11.264 -7.015 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.713 -9.125 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 143 8.961 -9.725 1.207 1.00 0.00 H new ATOM 2223 N ASN A 144 11.694 -7.852 -3.653 1.00 0.00 N ATOM 2224 CA ASN A 144 12.194 -9.196 -3.883 1.00 0.00 C ATOM 2225 C ASN A 144 11.964 -10.037 -2.629 1.00 0.00 C ATOM 2226 O ASN A 144 12.861 -10.170 -1.793 1.00 0.00 O ATOM 2227 CB ASN A 144 13.667 -9.168 -4.314 1.00 0.00 C ATOM 2228 CG ASN A 144 14.213 -10.586 -4.458 1.00 0.00 C ATOM 2229 OD1 ASN A 144 13.505 -11.504 -4.862 1.00 0.00 O ATOM 2230 ND2 ASN A 144 15.465 -10.809 -4.112 1.00 0.00 N ATOM 0 H ASN A 144 12.051 -7.433 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 144 11.647 -9.658 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 144 13.764 -8.637 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 144 14.256 -8.619 -3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 144 15.853 -11.750 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 144 16.046 -10.041 -3.777 1.00 0.00 H new