USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 819 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 Single : A 3 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.052) USER MOD Single : A 7 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.054) USER MOD Single : A 13 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-1.6) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 1.21 (180deg=-1.08!) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 1.22 (180deg=0.498) USER MOD Single : A 21 SER OG : rot 180:sc= -0.191 USER MOD Single : A 22 THR OG1 : rot -72:sc= 0.00851 USER MOD Single : A 23 TYR OH : rot 87:sc= 0.00283 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -119:sc= -1.13 (180deg=-2.64) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0.00242 K(o=0.0024,f=-1.7) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0323 (180deg=-0.265) USER MOD Single : A 45 ASN : amide:sc= -0.054 K(o=-0.054,f=-2!) USER MOD Single : A 50 SER OG : rot -130:sc= 0.0384 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc=-0.00488 (180deg=-0.081) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.224 F(o=-1.3!,f=-0.22) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.49 (180deg=0.428) USER MOD Single : A 65 SER OG : rot -41:sc= 1.04 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc=-0.00541 (180deg=-0.0998) USER MOD Single : A 74 GLN : amide:sc= -1.47 K(o=-1.5,f=-4.2!) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 1.92 (180deg=1.29) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 77 LYS NZ :NH3+ -132:sc= 0.803 (180deg=-0.0216) USER MOD Single : A 86 SER OG : rot -81:sc= 0.75 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.07) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 130:sc= 0.955 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.639 K(o=0.64,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.073 -8.679 15.536 1.00 65.15 N ATOM 21 CA ASP A 2 -10.395 -9.812 14.655 1.00 4.42 C ATOM 22 C ASP A 2 -9.173 -10.333 13.877 1.00 2.50 C ATOM 23 O ASP A 2 -8.315 -9.559 13.438 1.00 62.22 O ATOM 24 CB ASP A 2 -11.520 -9.436 13.687 1.00 70.51 C ATOM 25 CG ASP A 2 -12.858 -9.326 14.395 1.00 32.23 C ATOM 26 OD1 ASP A 2 -13.449 -10.378 14.711 1.00 42.34 O ATOM 27 OD2 ASP A 2 -13.319 -8.194 14.653 1.00 64.34 O ATOM 0 HA ASP A 2 -10.728 -10.624 15.301 1.00 4.42 H new ATOM 0 HB2 ASP A 2 -11.284 -8.487 13.206 1.00 70.51 H new ATOM 0 HB3 ASP A 2 -11.586 -10.185 12.898 1.00 70.51 H new ATOM 32 N GLN A 3 -9.124 -11.657 13.707 1.00 22.01 N ATOM 33 CA GLN A 3 -8.006 -12.337 13.037 1.00 3.03 C ATOM 34 C GLN A 3 -7.683 -11.714 11.674 1.00 74.32 C ATOM 35 O GLN A 3 -6.515 -11.524 11.334 1.00 5.45 O ATOM 36 CB GLN A 3 -8.321 -13.830 12.864 1.00 33.12 C ATOM 37 CG GLN A 3 -8.609 -14.560 14.175 1.00 4.42 C ATOM 38 CD GLN A 3 -7.468 -14.451 15.176 1.00 15.14 C ATOM 39 OE1 GLN A 3 -6.555 -15.272 15.188 1.00 65.41 O ATOM 40 NE2 GLN A 3 -7.518 -13.449 16.034 1.00 11.54 N ATOM 0 H GLN A 3 -9.856 -12.290 14.029 1.00 22.01 H new ATOM 0 HA GLN A 3 -7.128 -12.217 13.672 1.00 3.03 H new ATOM 0 HB2 GLN A 3 -9.183 -13.935 12.205 1.00 33.12 H new ATOM 0 HB3 GLN A 3 -7.479 -14.313 12.368 1.00 33.12 H new ATOM 0 HG2 GLN A 3 -9.517 -14.152 14.620 1.00 4.42 H new ATOM 0 HG3 GLN A 3 -8.802 -15.612 13.965 1.00 4.42 H new ATOM 0 HE21 GLN A 3 -8.291 -12.784 15.997 1.00 11.54 H new ATOM 0 HE22 GLN A 3 -6.784 -13.340 16.734 1.00 11.54 H new ATOM 49 N PHE A 4 -8.722 -11.399 10.902 1.00 34.11 N ATOM 50 CA PHE A 4 -8.560 -10.742 9.599 1.00 30.31 C ATOM 51 C PHE A 4 -7.614 -9.533 9.691 1.00 53.13 C ATOM 52 O PHE A 4 -6.639 -9.434 8.944 1.00 11.03 O ATOM 53 CB PHE A 4 -9.929 -10.296 9.065 1.00 14.44 C ATOM 54 CG PHE A 4 -9.850 -9.470 7.804 1.00 52.14 C ATOM 55 CD1 PHE A 4 -9.486 -10.050 6.598 1.00 63.54 C ATOM 56 CD2 PHE A 4 -10.138 -8.112 7.827 1.00 73.41 C ATOM 57 CE1 PHE A 4 -9.410 -9.296 5.444 1.00 4.20 C ATOM 58 CE2 PHE A 4 -10.062 -7.353 6.675 1.00 32.34 C ATOM 59 CZ PHE A 4 -9.698 -7.947 5.481 1.00 31.41 C ATOM 0 H PHE A 4 -9.692 -11.588 11.155 1.00 34.11 H new ATOM 0 HA PHE A 4 -8.117 -11.463 8.912 1.00 30.31 H new ATOM 0 HB2 PHE A 4 -10.539 -11.179 8.873 1.00 14.44 H new ATOM 0 HB3 PHE A 4 -10.439 -9.718 9.836 1.00 14.44 H new ATOM 0 HD1 PHE A 4 -9.259 -11.105 6.561 1.00 63.54 H new ATOM 0 HD2 PHE A 4 -10.425 -7.643 8.757 1.00 73.41 H new ATOM 0 HE1 PHE A 4 -9.125 -9.762 4.512 1.00 4.20 H new ATOM 0 HE2 PHE A 4 -10.287 -6.297 6.707 1.00 32.34 H new ATOM 0 HZ PHE A 4 -9.639 -7.356 4.579 1.00 31.41 H new ATOM 69 N LEU A 5 -7.904 -8.633 10.627 1.00 2.52 N ATOM 70 CA LEU A 5 -7.086 -7.435 10.835 1.00 32.15 C ATOM 71 C LEU A 5 -5.651 -7.809 11.237 1.00 64.31 C ATOM 72 O LEU A 5 -4.683 -7.265 10.707 1.00 23.11 O ATOM 73 CB LEU A 5 -7.720 -6.544 11.914 1.00 50.01 C ATOM 74 CG LEU A 5 -9.159 -6.079 11.622 1.00 75.50 C ATOM 75 CD1 LEU A 5 -9.705 -5.235 12.772 1.00 15.31 C ATOM 76 CD2 LEU A 5 -9.216 -5.303 10.307 1.00 13.01 C ATOM 0 H LEU A 5 -8.702 -8.709 11.257 1.00 2.52 H new ATOM 0 HA LEU A 5 -7.044 -6.885 9.895 1.00 32.15 H new ATOM 0 HB2 LEU A 5 -7.716 -7.087 12.859 1.00 50.01 H new ATOM 0 HB3 LEU A 5 -7.092 -5.664 12.050 1.00 50.01 H new ATOM 0 HG LEU A 5 -9.788 -6.964 11.526 1.00 75.50 H new ATOM 0 HD11 LEU A 5 -10.722 -4.919 12.541 1.00 15.31 H new ATOM 0 HD12 LEU A 5 -9.708 -5.826 13.688 1.00 15.31 H new ATOM 0 HD13 LEU A 5 -9.075 -4.356 12.909 1.00 15.31 H new ATOM 0 HD21 LEU A 5 -10.241 -4.983 10.118 1.00 13.01 H new ATOM 0 HD22 LEU A 5 -8.569 -4.429 10.372 1.00 13.01 H new ATOM 0 HD23 LEU A 5 -8.880 -5.943 9.492 1.00 13.01 H new ATOM 88 N VAL A 6 -5.530 -8.755 12.167 1.00 65.13 N ATOM 89 CA VAL A 6 -4.222 -9.220 12.640 1.00 45.03 C ATOM 90 C VAL A 6 -3.363 -9.763 11.482 1.00 11.05 C ATOM 91 O VAL A 6 -2.163 -9.489 11.402 1.00 45.34 O ATOM 92 CB VAL A 6 -4.377 -10.326 13.718 1.00 43.23 C ATOM 93 CG1 VAL A 6 -3.011 -10.783 14.232 1.00 41.55 C ATOM 94 CG2 VAL A 6 -5.259 -9.842 14.869 1.00 52.13 C ATOM 0 H VAL A 6 -6.324 -9.217 12.611 1.00 65.13 H new ATOM 0 HA VAL A 6 -3.721 -8.357 13.078 1.00 45.03 H new ATOM 0 HB VAL A 6 -4.865 -11.183 13.255 1.00 43.23 H new ATOM 0 HG11 VAL A 6 -3.147 -11.558 14.986 1.00 41.55 H new ATOM 0 HG12 VAL A 6 -2.425 -11.181 13.404 1.00 41.55 H new ATOM 0 HG13 VAL A 6 -2.486 -9.936 14.673 1.00 41.55 H new ATOM 0 HG21 VAL A 6 -5.354 -10.633 15.613 1.00 52.13 H new ATOM 0 HG22 VAL A 6 -4.807 -8.964 15.329 1.00 52.13 H new ATOM 0 HG23 VAL A 6 -6.246 -9.583 14.487 1.00 52.13 H new ATOM 104 N GLN A 7 -3.992 -10.519 10.580 1.00 15.45 N ATOM 105 CA GLN A 7 -3.288 -11.127 9.446 1.00 15.21 C ATOM 106 C GLN A 7 -2.807 -10.069 8.437 1.00 10.04 C ATOM 107 O GLN A 7 -1.608 -9.956 8.175 1.00 73.34 O ATOM 108 CB GLN A 7 -4.189 -12.151 8.734 1.00 60.11 C ATOM 109 CG GLN A 7 -4.653 -13.307 9.616 1.00 10.30 C ATOM 110 CD GLN A 7 -3.505 -14.107 10.209 1.00 14.10 C ATOM 111 OE1 GLN A 7 -3.014 -15.056 9.604 1.00 11.52 O ATOM 112 NE2 GLN A 7 -3.085 -13.750 11.406 1.00 62.51 N ATOM 0 H GLN A 7 -4.990 -10.726 10.612 1.00 15.45 H new ATOM 0 HA GLN A 7 -2.411 -11.635 9.848 1.00 15.21 H new ATOM 0 HB2 GLN A 7 -5.066 -11.635 8.343 1.00 60.11 H new ATOM 0 HB3 GLN A 7 -3.650 -12.557 7.878 1.00 60.11 H new ATOM 0 HG2 GLN A 7 -5.269 -12.914 10.425 1.00 10.30 H new ATOM 0 HG3 GLN A 7 -5.285 -13.972 9.028 1.00 10.30 H new ATOM 0 HE21 GLN A 7 -3.515 -12.956 11.881 1.00 62.51 H new ATOM 0 HE22 GLN A 7 -2.330 -14.267 11.857 1.00 62.51 H new ATOM 121 N ILE A 8 -3.742 -9.287 7.884 1.00 15.13 N ATOM 122 CA ILE A 8 -3.401 -8.286 6.859 1.00 21.44 C ATOM 123 C ILE A 8 -2.347 -7.286 7.371 1.00 35.10 C ATOM 124 O ILE A 8 -1.412 -6.936 6.649 1.00 64.31 O ATOM 125 CB ILE A 8 -4.654 -7.516 6.347 1.00 33.35 C ATOM 126 CG1 ILE A 8 -5.366 -6.789 7.501 1.00 32.31 C ATOM 127 CG2 ILE A 8 -5.618 -8.469 5.637 1.00 23.44 C ATOM 128 CD1 ILE A 8 -6.568 -5.977 7.068 1.00 31.42 C ATOM 0 H ILE A 8 -4.733 -9.325 8.124 1.00 15.13 H new ATOM 0 HA ILE A 8 -2.980 -8.842 6.021 1.00 21.44 H new ATOM 0 HB ILE A 8 -4.319 -6.765 5.631 1.00 33.35 H new ATOM 0 HG12 ILE A 8 -5.684 -7.525 8.239 1.00 32.31 H new ATOM 0 HG13 ILE A 8 -4.653 -6.129 7.996 1.00 32.31 H new ATOM 0 HG21 ILE A 8 -6.487 -7.913 5.286 1.00 23.44 H new ATOM 0 HG22 ILE A 8 -5.114 -8.929 4.787 1.00 23.44 H new ATOM 0 HG23 ILE A 8 -5.940 -9.245 6.331 1.00 23.44 H new ATOM 0 HD11 ILE A 8 -7.014 -5.496 7.938 1.00 31.42 H new ATOM 0 HD12 ILE A 8 -6.255 -5.216 6.353 1.00 31.42 H new ATOM 0 HD13 ILE A 8 -7.302 -6.634 6.601 1.00 31.42 H new ATOM 140 N PHE A 9 -2.482 -6.851 8.626 1.00 1.11 N ATOM 141 CA PHE A 9 -1.511 -5.930 9.230 1.00 72.01 C ATOM 142 C PHE A 9 -0.116 -6.570 9.314 1.00 11.22 C ATOM 143 O PHE A 9 0.886 -5.947 8.959 1.00 12.42 O ATOM 144 CB PHE A 9 -1.973 -5.494 10.628 1.00 61.21 C ATOM 145 CG PHE A 9 -3.234 -4.657 10.643 1.00 11.45 C ATOM 146 CD1 PHE A 9 -3.819 -4.211 9.463 1.00 41.21 C ATOM 147 CD2 PHE A 9 -3.833 -4.316 11.848 1.00 60.53 C ATOM 148 CE1 PHE A 9 -4.969 -3.445 9.487 1.00 50.44 C ATOM 149 CE2 PHE A 9 -4.983 -3.549 11.877 1.00 64.51 C ATOM 150 CZ PHE A 9 -5.552 -3.114 10.695 1.00 71.41 C ATOM 0 H PHE A 9 -3.249 -7.119 9.242 1.00 1.11 H new ATOM 0 HA PHE A 9 -1.448 -5.051 8.589 1.00 72.01 H new ATOM 0 HB2 PHE A 9 -2.136 -6.384 11.236 1.00 61.21 H new ATOM 0 HB3 PHE A 9 -1.171 -4.927 11.101 1.00 61.21 H new ATOM 0 HD1 PHE A 9 -3.369 -4.467 8.515 1.00 41.21 H new ATOM 0 HD2 PHE A 9 -3.395 -4.654 12.775 1.00 60.53 H new ATOM 0 HE1 PHE A 9 -5.412 -3.105 8.562 1.00 50.44 H new ATOM 0 HE2 PHE A 9 -5.436 -3.290 12.822 1.00 64.51 H new ATOM 0 HZ PHE A 9 -6.451 -2.516 10.716 1.00 71.41 H new ATOM 160 N ALA A 10 -0.061 -7.823 9.770 1.00 43.15 N ATOM 161 CA ALA A 10 1.208 -8.550 9.895 1.00 14.42 C ATOM 162 C ALA A 10 1.942 -8.637 8.549 1.00 11.14 C ATOM 163 O ALA A 10 3.168 -8.499 8.485 1.00 23.40 O ATOM 164 CB ALA A 10 0.960 -9.947 10.456 1.00 51.51 C ATOM 0 H ALA A 10 -0.880 -8.357 10.060 1.00 43.15 H new ATOM 0 HA ALA A 10 1.845 -7.996 10.584 1.00 14.42 H new ATOM 0 HB1 ALA A 10 1.908 -10.477 10.544 1.00 51.51 H new ATOM 0 HB2 ALA A 10 0.496 -9.867 11.439 1.00 51.51 H new ATOM 0 HB3 ALA A 10 0.298 -10.496 9.786 1.00 51.51 H new ATOM 170 N VAL A 11 1.181 -8.864 7.476 1.00 24.13 N ATOM 171 CA VAL A 11 1.738 -8.920 6.121 1.00 12.21 C ATOM 172 C VAL A 11 2.322 -7.558 5.699 1.00 13.42 C ATOM 173 O VAL A 11 3.415 -7.485 5.133 1.00 74.41 O ATOM 174 CB VAL A 11 0.668 -9.365 5.086 1.00 34.51 C ATOM 175 CG1 VAL A 11 1.246 -9.390 3.671 1.00 2.35 C ATOM 176 CG2 VAL A 11 0.090 -10.733 5.461 1.00 72.24 C ATOM 0 H VAL A 11 0.173 -9.013 7.519 1.00 24.13 H new ATOM 0 HA VAL A 11 2.539 -9.659 6.139 1.00 12.21 H new ATOM 0 HB VAL A 11 -0.141 -8.634 5.103 1.00 34.51 H new ATOM 0 HG11 VAL A 11 0.475 -9.705 2.968 1.00 2.35 H new ATOM 0 HG12 VAL A 11 1.596 -8.393 3.403 1.00 2.35 H new ATOM 0 HG13 VAL A 11 2.081 -10.090 3.631 1.00 2.35 H new ATOM 0 HG21 VAL A 11 -0.657 -11.027 4.724 1.00 72.24 H new ATOM 0 HG22 VAL A 11 0.890 -11.473 5.481 1.00 72.24 H new ATOM 0 HG23 VAL A 11 -0.375 -10.674 6.445 1.00 72.24 H new ATOM 186 N ILE A 12 1.593 -6.481 5.992 1.00 43.43 N ATOM 187 CA ILE A 12 2.033 -5.126 5.635 1.00 1.40 C ATOM 188 C ILE A 12 3.321 -4.723 6.382 1.00 24.15 C ATOM 189 O ILE A 12 4.164 -4.005 5.842 1.00 24.44 O ATOM 190 CB ILE A 12 0.913 -4.087 5.901 1.00 53.12 C ATOM 191 CG1 ILE A 12 -0.342 -4.438 5.081 1.00 51.50 C ATOM 192 CG2 ILE A 12 1.390 -2.672 5.573 1.00 55.35 C ATOM 193 CD1 ILE A 12 -1.521 -3.523 5.336 1.00 51.13 C ATOM 0 H ILE A 12 0.695 -6.517 6.475 1.00 43.43 H new ATOM 0 HA ILE A 12 2.255 -5.136 4.568 1.00 1.40 H new ATOM 0 HB ILE A 12 0.660 -4.119 6.961 1.00 53.12 H new ATOM 0 HG12 ILE A 12 -0.092 -4.404 4.021 1.00 51.50 H new ATOM 0 HG13 ILE A 12 -0.636 -5.463 5.306 1.00 51.50 H new ATOM 0 HG21 ILE A 12 0.586 -1.963 5.768 1.00 55.35 H new ATOM 0 HG22 ILE A 12 2.251 -2.425 6.195 1.00 55.35 H new ATOM 0 HG23 ILE A 12 1.674 -2.618 4.522 1.00 55.35 H new ATOM 0 HD11 ILE A 12 -2.365 -3.836 4.721 1.00 51.13 H new ATOM 0 HD12 ILE A 12 -1.800 -3.574 6.388 1.00 51.13 H new ATOM 0 HD13 ILE A 12 -1.248 -2.499 5.083 1.00 51.13 H new ATOM 205 N HIS A 13 3.486 -5.194 7.617 1.00 40.52 N ATOM 206 CA HIS A 13 4.734 -4.956 8.361 1.00 2.11 C ATOM 207 C HIS A 13 5.937 -5.643 7.688 1.00 34.43 C ATOM 208 O HIS A 13 7.087 -5.260 7.911 1.00 35.13 O ATOM 209 CB HIS A 13 4.614 -5.447 9.813 1.00 34.32 C ATOM 210 CG HIS A 13 3.798 -4.555 10.698 1.00 63.01 C ATOM 211 ND1 HIS A 13 4.272 -3.333 11.113 1.00 0.41 N ATOM 212 CD2 HIS A 13 2.570 -4.755 11.230 1.00 23.52 C ATOM 213 CE1 HIS A 13 3.328 -2.820 11.879 1.00 43.15 C ATOM 214 NE2 HIS A 13 2.279 -3.646 11.980 1.00 21.34 N ATOM 0 H HIS A 13 2.785 -5.736 8.123 1.00 40.52 H new ATOM 0 HA HIS A 13 4.902 -3.879 8.359 1.00 2.11 H new ATOM 0 HB2 HIS A 13 4.171 -6.443 9.812 1.00 34.32 H new ATOM 0 HB3 HIS A 13 5.614 -5.543 10.236 1.00 34.32 H new ATOM 0 HD2 HIS A 13 1.941 -5.622 11.090 1.00 23.52 H new ATOM 0 HE1 HIS A 13 3.393 -1.857 12.363 1.00 43.15 H new ATOM 0 HE2 HIS A 13 1.426 -3.481 12.514 1.00 21.34 H new ATOM 222 N GLN A 14 5.667 -6.654 6.860 1.00 72.20 N ATOM 223 CA GLN A 14 6.734 -7.429 6.203 1.00 3.01 C ATOM 224 C GLN A 14 7.213 -6.780 4.891 1.00 23.03 C ATOM 225 O GLN A 14 8.176 -7.254 4.281 1.00 52.42 O ATOM 226 CB GLN A 14 6.252 -8.859 5.929 1.00 1.52 C ATOM 227 CG GLN A 14 5.863 -9.620 7.191 1.00 65.21 C ATOM 228 CD GLN A 14 5.346 -11.026 6.923 1.00 14.40 C ATOM 229 OE1 GLN A 14 4.702 -11.231 5.790 1.00 41.53 O flip ATOM 230 NE2 GLN A 14 5.516 -11.924 7.738 1.00 52.22 N flip ATOM 0 H GLN A 14 4.722 -6.959 6.626 1.00 72.20 H new ATOM 0 HA GLN A 14 7.584 -7.447 6.886 1.00 3.01 H new ATOM 0 HB2 GLN A 14 5.395 -8.823 5.257 1.00 1.52 H new ATOM 0 HB3 GLN A 14 7.040 -9.407 5.412 1.00 1.52 H new ATOM 0 HG2 GLN A 14 6.729 -9.680 7.850 1.00 65.21 H new ATOM 0 HG3 GLN A 14 5.097 -9.056 7.723 1.00 65.21 H new ATOM 0 HE21 GLN A 14 6.018 -11.737 8.606 1.00 52.22 H new ATOM 0 HE22 GLN A 14 5.156 -12.859 7.549 1.00 52.22 H new ATOM 239 N ILE A 15 6.542 -5.708 4.456 1.00 74.15 N ATOM 240 CA ILE A 15 6.935 -4.993 3.231 1.00 74.02 C ATOM 241 C ILE A 15 8.367 -4.428 3.357 1.00 40.23 C ATOM 242 O ILE A 15 8.680 -3.732 4.331 1.00 55.34 O ATOM 243 CB ILE A 15 5.973 -3.811 2.916 1.00 64.04 C ATOM 244 CG1 ILE A 15 4.504 -4.267 2.888 1.00 72.12 C ATOM 245 CG2 ILE A 15 6.348 -3.148 1.589 1.00 0.42 C ATOM 246 CD1 ILE A 15 4.142 -5.152 1.716 1.00 0.31 C ATOM 0 H ILE A 15 5.728 -5.316 4.929 1.00 74.15 H new ATOM 0 HA ILE A 15 6.887 -5.721 2.421 1.00 74.02 H new ATOM 0 HB ILE A 15 6.081 -3.080 3.718 1.00 64.04 H new ATOM 0 HG12 ILE A 15 4.286 -4.803 3.812 1.00 72.12 H new ATOM 0 HG13 ILE A 15 3.864 -3.385 2.872 1.00 72.12 H new ATOM 0 HG21 ILE A 15 5.663 -2.324 1.388 1.00 0.42 H new ATOM 0 HG22 ILE A 15 7.367 -2.766 1.648 1.00 0.42 H new ATOM 0 HG23 ILE A 15 6.281 -3.880 0.785 1.00 0.42 H new ATOM 0 HD11 ILE A 15 3.088 -5.425 1.778 1.00 0.31 H new ATOM 0 HD12 ILE A 15 4.324 -4.615 0.785 1.00 0.31 H new ATOM 0 HD13 ILE A 15 4.752 -6.055 1.740 1.00 0.31 H new ATOM 258 N PRO A 16 9.258 -4.721 2.385 1.00 15.32 N ATOM 259 CA PRO A 16 10.635 -4.195 2.392 1.00 41.54 C ATOM 260 C PRO A 16 10.695 -2.666 2.204 1.00 53.31 C ATOM 261 O PRO A 16 9.829 -2.066 1.556 1.00 2.42 O ATOM 262 CB PRO A 16 11.300 -4.916 1.209 1.00 71.52 C ATOM 263 CG PRO A 16 10.171 -5.298 0.312 1.00 53.00 C ATOM 264 CD PRO A 16 9.006 -5.592 1.219 1.00 2.11 C ATOM 0 HA PRO A 16 11.128 -4.372 3.348 1.00 41.54 H new ATOM 0 HB2 PRO A 16 12.009 -4.265 0.697 1.00 71.52 H new ATOM 0 HB3 PRO A 16 11.855 -5.793 1.542 1.00 71.52 H new ATOM 0 HG2 PRO A 16 9.933 -4.491 -0.381 1.00 53.00 H new ATOM 0 HG3 PRO A 16 10.428 -6.170 -0.290 1.00 53.00 H new ATOM 0 HD2 PRO A 16 8.055 -5.359 0.741 1.00 2.11 H new ATOM 0 HD3 PRO A 16 8.972 -6.644 1.502 1.00 2.11 H new ATOM 272 N LYS A 17 11.730 -2.043 2.766 1.00 54.23 N ATOM 273 CA LYS A 17 11.887 -0.585 2.712 1.00 64.11 C ATOM 274 C LYS A 17 12.211 -0.112 1.281 1.00 44.32 C ATOM 275 O LYS A 17 13.378 -0.042 0.890 1.00 21.13 O ATOM 276 CB LYS A 17 13.001 -0.146 3.680 1.00 54.14 C ATOM 277 CG LYS A 17 12.975 1.336 4.051 1.00 1.31 C ATOM 278 CD LYS A 17 11.772 1.678 4.927 1.00 65.24 C ATOM 279 CE LYS A 17 11.855 3.096 5.477 1.00 0.32 C ATOM 280 NZ LYS A 17 10.696 3.419 6.351 1.00 34.33 N ATOM 0 H LYS A 17 12.477 -2.525 3.267 1.00 54.23 H new ATOM 0 HA LYS A 17 10.944 -0.127 3.012 1.00 64.11 H new ATOM 0 HB2 LYS A 17 12.924 -0.737 4.593 1.00 54.14 H new ATOM 0 HB3 LYS A 17 13.967 -0.377 3.231 1.00 54.14 H new ATOM 0 HG2 LYS A 17 13.894 1.596 4.577 1.00 1.31 H new ATOM 0 HG3 LYS A 17 12.947 1.938 3.143 1.00 1.31 H new ATOM 0 HD2 LYS A 17 10.856 1.567 4.346 1.00 65.24 H new ATOM 0 HD3 LYS A 17 11.712 0.971 5.754 1.00 65.24 H new ATOM 0 HE2 LYS A 17 12.780 3.213 6.042 1.00 0.32 H new ATOM 0 HE3 LYS A 17 11.895 3.805 4.650 1.00 0.32 H new ATOM 0 HZ1 LYS A 17 10.188 4.241 5.965 1.00 34.33 H new ATOM 0 HZ2 LYS A 17 10.053 2.602 6.391 1.00 34.33 H new ATOM 0 HZ3 LYS A 17 11.035 3.640 7.309 1.00 34.33 H new ATOM 294 N GLY A 18 11.174 0.182 0.495 1.00 34.22 N ATOM 295 CA GLY A 18 11.380 0.670 -0.869 1.00 62.43 C ATOM 296 C GLY A 18 10.478 0.010 -1.915 1.00 74.43 C ATOM 297 O GLY A 18 10.545 0.352 -3.096 1.00 63.35 O ATOM 0 H GLY A 18 10.197 0.093 0.774 1.00 34.22 H new ATOM 0 HA2 GLY A 18 11.211 1.747 -0.887 1.00 62.43 H new ATOM 0 HA3 GLY A 18 12.421 0.506 -1.148 1.00 62.43 H new ATOM 301 N LYS A 19 9.644 -0.943 -1.495 1.00 51.52 N ATOM 302 CA LYS A 19 8.693 -1.601 -2.408 1.00 13.41 C ATOM 303 C LYS A 19 7.239 -1.406 -1.948 1.00 3.54 C ATOM 304 O LYS A 19 6.982 -1.027 -0.805 1.00 41.34 O ATOM 305 CB LYS A 19 9.005 -3.103 -2.534 1.00 10.40 C ATOM 306 CG LYS A 19 10.282 -3.423 -3.311 1.00 21.34 C ATOM 307 CD LYS A 19 10.250 -2.819 -4.717 1.00 52.03 C ATOM 308 CE LYS A 19 11.395 -3.320 -5.589 1.00 21.11 C ATOM 309 NZ LYS A 19 11.248 -4.761 -5.925 1.00 71.23 N ATOM 0 H LYS A 19 9.604 -1.279 -0.533 1.00 51.52 H new ATOM 0 HA LYS A 19 8.807 -1.131 -3.385 1.00 13.41 H new ATOM 0 HB2 LYS A 19 9.087 -3.529 -1.534 1.00 10.40 H new ATOM 0 HB3 LYS A 19 8.165 -3.596 -3.023 1.00 10.40 H new ATOM 0 HG2 LYS A 19 11.145 -3.038 -2.768 1.00 21.34 H new ATOM 0 HG3 LYS A 19 10.405 -4.504 -3.381 1.00 21.34 H new ATOM 0 HD2 LYS A 19 9.300 -3.063 -5.193 1.00 52.03 H new ATOM 0 HD3 LYS A 19 10.300 -1.733 -4.644 1.00 52.03 H new ATOM 0 HE2 LYS A 19 11.434 -2.735 -6.508 1.00 21.11 H new ATOM 0 HE3 LYS A 19 12.341 -3.163 -5.071 1.00 21.11 H new ATOM 0 HZ1 LYS A 19 11.605 -4.931 -6.887 1.00 71.23 H new ATOM 0 HZ2 LYS A 19 11.792 -5.333 -5.247 1.00 71.23 H new ATOM 0 HZ3 LYS A 19 10.244 -5.028 -5.876 1.00 71.23 H new ATOM 323 N VAL A 20 6.293 -1.669 -2.853 1.00 41.45 N ATOM 324 CA VAL A 20 4.859 -1.526 -2.557 1.00 31.42 C ATOM 325 C VAL A 20 4.065 -2.781 -2.964 1.00 73.33 C ATOM 326 O VAL A 20 4.617 -3.725 -3.535 1.00 62.23 O ATOM 327 CB VAL A 20 4.249 -0.293 -3.282 1.00 44.23 C ATOM 328 CG1 VAL A 20 4.864 1.008 -2.771 1.00 4.32 C ATOM 329 CG2 VAL A 20 4.420 -0.412 -4.798 1.00 41.32 C ATOM 0 H VAL A 20 6.492 -1.984 -3.802 1.00 41.45 H new ATOM 0 HA VAL A 20 4.782 -1.388 -1.479 1.00 31.42 H new ATOM 0 HB VAL A 20 3.182 -0.271 -3.059 1.00 44.23 H new ATOM 0 HG11 VAL A 20 4.418 1.852 -3.296 1.00 4.32 H new ATOM 0 HG12 VAL A 20 4.675 1.105 -1.702 1.00 4.32 H new ATOM 0 HG13 VAL A 20 5.939 0.997 -2.949 1.00 4.32 H new ATOM 0 HG21 VAL A 20 3.985 0.462 -5.283 1.00 41.32 H new ATOM 0 HG22 VAL A 20 5.481 -0.472 -5.041 1.00 41.32 H new ATOM 0 HG23 VAL A 20 3.916 -1.311 -5.152 1.00 41.32 H new ATOM 339 N SER A 21 2.767 -2.783 -2.661 1.00 34.13 N ATOM 340 CA SER A 21 1.876 -3.891 -3.045 1.00 20.23 C ATOM 341 C SER A 21 0.428 -3.410 -3.213 1.00 31.13 C ATOM 342 O SER A 21 0.126 -2.226 -3.034 1.00 71.05 O ATOM 343 CB SER A 21 1.938 -5.029 -2.014 1.00 1.31 C ATOM 344 OG SER A 21 1.106 -6.120 -2.392 1.00 62.22 O ATOM 0 H SER A 21 2.304 -2.031 -2.150 1.00 34.13 H new ATOM 0 HA SER A 21 2.224 -4.271 -4.006 1.00 20.23 H new ATOM 0 HB2 SER A 21 2.967 -5.373 -1.912 1.00 1.31 H new ATOM 0 HB3 SER A 21 1.628 -4.655 -1.038 1.00 1.31 H new ATOM 0 HG SER A 21 1.168 -6.828 -1.717 1.00 62.22 H new ATOM 350 N THR A 22 -0.468 -4.331 -3.558 1.00 13.23 N ATOM 351 CA THR A 22 -1.871 -3.990 -3.829 1.00 54.44 C ATOM 352 C THR A 22 -2.822 -4.572 -2.775 1.00 64.33 C ATOM 353 O THR A 22 -2.528 -5.596 -2.153 1.00 73.41 O ATOM 354 CB THR A 22 -2.310 -4.503 -5.220 1.00 64.11 C ATOM 355 OG1 THR A 22 -2.257 -5.937 -5.254 1.00 4.53 O ATOM 356 CG2 THR A 22 -1.419 -3.934 -6.324 1.00 71.44 C ATOM 0 H THR A 22 -0.252 -5.323 -3.658 1.00 13.23 H new ATOM 0 HA THR A 22 -1.930 -2.902 -3.796 1.00 54.44 H new ATOM 0 HB THR A 22 -3.333 -4.169 -5.394 1.00 64.11 H new ATOM 0 HG1 THR A 22 -1.322 -6.229 -5.272 1.00 4.53 H new ATOM 0 HG21 THR A 22 -1.751 -4.312 -7.291 1.00 71.44 H new ATOM 0 HG22 THR A 22 -1.483 -2.846 -6.318 1.00 71.44 H new ATOM 0 HG23 THR A 22 -0.387 -4.238 -6.151 1.00 71.44 H new ATOM 364 N TYR A 23 -3.974 -3.915 -2.590 1.00 2.52 N ATOM 365 CA TYR A 23 -5.001 -4.374 -1.633 1.00 61.14 C ATOM 366 C TYR A 23 -5.363 -5.852 -1.861 1.00 11.31 C ATOM 367 O TYR A 23 -5.549 -6.614 -0.910 1.00 55.53 O ATOM 368 CB TYR A 23 -6.272 -3.516 -1.756 1.00 64.44 C ATOM 369 CG TYR A 23 -6.039 -2.026 -1.580 1.00 44.15 C ATOM 370 CD1 TYR A 23 -5.939 -1.460 -0.313 1.00 34.34 C ATOM 371 CD2 TYR A 23 -5.915 -1.187 -2.682 1.00 63.21 C ATOM 372 CE1 TYR A 23 -5.723 -0.103 -0.152 1.00 74.40 C ATOM 373 CE2 TYR A 23 -5.697 0.167 -2.529 1.00 70.01 C ATOM 374 CZ TYR A 23 -5.600 0.705 -1.265 1.00 12.11 C ATOM 375 OH TYR A 23 -5.379 2.056 -1.116 1.00 41.54 O ATOM 0 H TYR A 23 -4.223 -3.061 -3.090 1.00 2.52 H new ATOM 0 HA TYR A 23 -4.583 -4.269 -0.632 1.00 61.14 H new ATOM 0 HB2 TYR A 23 -6.720 -3.689 -2.735 1.00 64.44 H new ATOM 0 HB3 TYR A 23 -6.995 -3.849 -1.011 1.00 64.44 H new ATOM 0 HD1 TYR A 23 -6.032 -2.090 0.559 1.00 34.34 H new ATOM 0 HD2 TYR A 23 -5.991 -1.603 -3.676 1.00 63.21 H new ATOM 0 HE1 TYR A 23 -5.651 0.322 0.838 1.00 74.40 H new ATOM 0 HE2 TYR A 23 -5.603 0.802 -3.397 1.00 70.01 H new ATOM 0 HH TYR A 23 -4.417 2.223 -1.035 1.00 41.54 H new ATOM 385 N GLY A 24 -5.458 -6.240 -3.132 1.00 41.01 N ATOM 386 CA GLY A 24 -5.785 -7.617 -3.487 1.00 74.11 C ATOM 387 C GLY A 24 -4.755 -8.628 -2.986 1.00 75.15 C ATOM 388 O GLY A 24 -5.117 -9.655 -2.399 1.00 13.24 O ATOM 0 H GLY A 24 -5.313 -5.621 -3.930 1.00 41.01 H new ATOM 0 HA2 GLY A 24 -6.762 -7.869 -3.075 1.00 74.11 H new ATOM 0 HA3 GLY A 24 -5.865 -7.697 -4.571 1.00 74.11 H new ATOM 392 N GLU A 25 -3.472 -8.342 -3.215 1.00 62.21 N ATOM 393 CA GLU A 25 -2.389 -9.223 -2.759 1.00 35.14 C ATOM 394 C GLU A 25 -2.341 -9.303 -1.229 1.00 62.34 C ATOM 395 O GLU A 25 -2.230 -10.389 -0.664 1.00 55.00 O ATOM 396 CB GLU A 25 -1.034 -8.747 -3.303 1.00 42.24 C ATOM 397 CG GLU A 25 -0.915 -8.844 -4.818 1.00 44.11 C ATOM 398 CD GLU A 25 0.415 -8.317 -5.333 1.00 32.45 C ATOM 399 OE1 GLU A 25 0.609 -7.082 -5.310 1.00 44.34 O ATOM 400 OE2 GLU A 25 1.263 -9.133 -5.774 1.00 74.43 O ATOM 0 H GLU A 25 -3.155 -7.510 -3.712 1.00 62.21 H new ATOM 0 HA GLU A 25 -2.594 -10.221 -3.147 1.00 35.14 H new ATOM 0 HB2 GLU A 25 -0.874 -7.712 -3.000 1.00 42.24 H new ATOM 0 HB3 GLU A 25 -0.241 -9.339 -2.846 1.00 42.24 H new ATOM 0 HG2 GLU A 25 -1.032 -9.884 -5.122 1.00 44.11 H new ATOM 0 HG3 GLU A 25 -1.728 -8.283 -5.280 1.00 44.11 H new ATOM 407 N ILE A 26 -2.434 -8.149 -0.565 1.00 14.23 N ATOM 408 CA ILE A 26 -2.432 -8.096 0.904 1.00 22.22 C ATOM 409 C ILE A 26 -3.525 -9.005 1.496 1.00 34.14 C ATOM 410 O ILE A 26 -3.265 -9.798 2.404 1.00 71.25 O ATOM 411 CB ILE A 26 -2.631 -6.644 1.418 1.00 12.14 C ATOM 412 CG1 ILE A 26 -1.501 -5.728 0.910 1.00 72.52 C ATOM 413 CG2 ILE A 26 -2.702 -6.611 2.945 1.00 63.40 C ATOM 414 CD1 ILE A 26 -0.113 -6.135 1.371 1.00 21.13 C ATOM 0 H ILE A 26 -2.512 -7.238 -1.018 1.00 14.23 H new ATOM 0 HA ILE A 26 -1.457 -8.454 1.234 1.00 22.22 H new ATOM 0 HB ILE A 26 -3.578 -6.274 1.025 1.00 12.14 H new ATOM 0 HG12 ILE A 26 -1.520 -5.717 -0.180 1.00 72.52 H new ATOM 0 HG13 ILE A 26 -1.698 -4.709 1.243 1.00 72.52 H new ATOM 0 HG21 ILE A 26 -2.842 -5.583 3.281 1.00 63.40 H new ATOM 0 HG22 ILE A 26 -3.540 -7.220 3.284 1.00 63.40 H new ATOM 0 HG23 ILE A 26 -1.775 -7.006 3.361 1.00 63.40 H new ATOM 0 HD11 ILE A 26 0.623 -5.438 0.969 1.00 21.13 H new ATOM 0 HD12 ILE A 26 -0.072 -6.118 2.460 1.00 21.13 H new ATOM 0 HD13 ILE A 26 0.108 -7.141 1.015 1.00 21.13 H new ATOM 426 N ALA A 27 -4.739 -8.895 0.958 1.00 45.43 N ATOM 427 CA ALA A 27 -5.864 -9.729 1.397 1.00 41.31 C ATOM 428 C ALA A 27 -5.584 -11.229 1.179 1.00 50.24 C ATOM 429 O ALA A 27 -5.725 -12.038 2.099 1.00 32.40 O ATOM 430 CB ALA A 27 -7.137 -9.310 0.663 1.00 24.05 C ATOM 0 H ALA A 27 -4.972 -8.236 0.215 1.00 45.43 H new ATOM 0 HA ALA A 27 -5.998 -9.577 2.468 1.00 41.31 H new ATOM 0 HB1 ALA A 27 -7.969 -9.932 0.993 1.00 24.05 H new ATOM 0 HB2 ALA A 27 -7.356 -8.265 0.882 1.00 24.05 H new ATOM 0 HB3 ALA A 27 -6.995 -9.433 -0.411 1.00 24.05 H new ATOM 436 N LYS A 28 -5.168 -11.592 -0.035 1.00 44.23 N ATOM 437 CA LYS A 28 -4.916 -13.001 -0.373 1.00 34.11 C ATOM 438 C LYS A 28 -3.767 -13.595 0.461 1.00 75.52 C ATOM 439 O LYS A 28 -3.898 -14.679 1.026 1.00 14.44 O ATOM 440 CB LYS A 28 -4.600 -13.156 -1.866 1.00 3.14 C ATOM 441 CG LYS A 28 -4.441 -14.614 -2.302 1.00 31.15 C ATOM 442 CD LYS A 28 -3.991 -14.733 -3.757 1.00 43.51 C ATOM 443 CE LYS A 28 -2.607 -14.130 -3.974 1.00 61.22 C ATOM 444 NZ LYS A 28 -2.152 -14.274 -5.382 1.00 52.52 N ATOM 0 H LYS A 28 -4.998 -10.938 -0.799 1.00 44.23 H new ATOM 0 HA LYS A 28 -5.827 -13.551 -0.138 1.00 34.11 H new ATOM 0 HB2 LYS A 28 -5.397 -12.694 -2.449 1.00 3.14 H new ATOM 0 HB3 LYS A 28 -3.683 -12.613 -2.095 1.00 3.14 H new ATOM 0 HG2 LYS A 28 -3.714 -15.108 -1.657 1.00 31.15 H new ATOM 0 HG3 LYS A 28 -5.389 -15.136 -2.172 1.00 31.15 H new ATOM 0 HD2 LYS A 28 -3.980 -15.783 -4.049 1.00 43.51 H new ATOM 0 HD3 LYS A 28 -4.711 -14.230 -4.402 1.00 43.51 H new ATOM 0 HE2 LYS A 28 -2.625 -13.074 -3.705 1.00 61.22 H new ATOM 0 HE3 LYS A 28 -1.892 -14.616 -3.310 1.00 61.22 H new ATOM 0 HZ1 LYS A 28 -1.208 -13.851 -5.487 1.00 52.52 H new ATOM 0 HZ2 LYS A 28 -2.110 -15.283 -5.632 1.00 52.52 H new ATOM 0 HZ3 LYS A 28 -2.820 -13.789 -6.014 1.00 52.52 H new ATOM 458 N MET A 29 -2.645 -12.879 0.535 1.00 22.10 N ATOM 459 CA MET A 29 -1.469 -13.346 1.287 1.00 63.33 C ATOM 460 C MET A 29 -1.786 -13.523 2.781 1.00 51.52 C ATOM 461 O MET A 29 -1.168 -14.343 3.466 1.00 30.20 O ATOM 462 CB MET A 29 -0.295 -12.373 1.108 1.00 73.22 C ATOM 463 CG MET A 29 0.224 -12.299 -0.323 1.00 34.22 C ATOM 464 SD MET A 29 1.662 -11.220 -0.495 1.00 63.01 S ATOM 465 CE MET A 29 0.987 -9.632 -0.013 1.00 54.13 C ATOM 0 H MET A 29 -2.521 -11.972 0.085 1.00 22.10 H new ATOM 0 HA MET A 29 -1.189 -14.320 0.886 1.00 63.33 H new ATOM 0 HB2 MET A 29 -0.608 -11.378 1.424 1.00 73.22 H new ATOM 0 HB3 MET A 29 0.520 -12.675 1.766 1.00 73.22 H new ATOM 0 HG2 MET A 29 0.486 -13.302 -0.661 1.00 34.22 H new ATOM 0 HG3 MET A 29 -0.573 -11.941 -0.975 1.00 34.22 H new ATOM 0 HE1 MET A 29 1.069 -8.934 -0.846 1.00 54.13 H new ATOM 0 HE2 MET A 29 -0.062 -9.750 0.260 1.00 54.13 H new ATOM 0 HE3 MET A 29 1.542 -9.245 0.841 1.00 54.13 H new ATOM 475 N ALA A 30 -2.747 -12.747 3.277 1.00 44.13 N ATOM 476 CA ALA A 30 -3.204 -12.868 4.664 1.00 54.32 C ATOM 477 C ALA A 30 -4.113 -14.095 4.853 1.00 44.11 C ATOM 478 O ALA A 30 -4.360 -14.532 5.978 1.00 12.20 O ATOM 479 CB ALA A 30 -3.936 -11.599 5.084 1.00 42.24 C ATOM 0 H ALA A 30 -3.227 -12.025 2.739 1.00 44.13 H new ATOM 0 HA ALA A 30 -2.327 -13.004 5.297 1.00 54.32 H new ATOM 0 HB1 ALA A 30 -4.272 -11.698 6.116 1.00 42.24 H new ATOM 0 HB2 ALA A 30 -3.262 -10.746 5.002 1.00 42.24 H new ATOM 0 HB3 ALA A 30 -4.798 -11.444 4.435 1.00 42.24 H new ATOM 485 N GLY A 31 -4.603 -14.644 3.743 1.00 63.44 N ATOM 486 CA GLY A 31 -5.484 -15.806 3.790 1.00 64.12 C ATOM 487 C GLY A 31 -6.956 -15.453 3.596 1.00 63.11 C ATOM 488 O GLY A 31 -7.839 -16.272 3.864 1.00 62.41 O ATOM 0 H GLY A 31 -4.405 -14.303 2.803 1.00 63.44 H new ATOM 0 HA2 GLY A 31 -5.182 -16.514 3.018 1.00 64.12 H new ATOM 0 HA3 GLY A 31 -5.361 -16.309 4.749 1.00 64.12 H new ATOM 492 N TYR A 32 -7.223 -14.233 3.125 1.00 24.24 N ATOM 493 CA TYR A 32 -8.600 -13.763 2.906 1.00 30.14 C ATOM 494 C TYR A 32 -8.754 -13.072 1.534 1.00 51.31 C ATOM 495 O TYR A 32 -8.925 -11.853 1.459 1.00 43.55 O ATOM 496 CB TYR A 32 -9.012 -12.788 4.025 1.00 73.13 C ATOM 497 CG TYR A 32 -8.886 -13.357 5.429 1.00 70.51 C ATOM 498 CD1 TYR A 32 -7.675 -13.303 6.116 1.00 71.11 C ATOM 499 CD2 TYR A 32 -9.972 -13.944 6.070 1.00 22.24 C ATOM 500 CE1 TYR A 32 -7.554 -13.818 7.390 1.00 15.23 C ATOM 501 CE2 TYR A 32 -9.854 -14.459 7.348 1.00 24.40 C ATOM 502 CZ TYR A 32 -8.642 -14.395 8.003 1.00 43.42 C ATOM 503 OH TYR A 32 -8.518 -14.910 9.275 1.00 11.35 O ATOM 0 H TYR A 32 -6.505 -13.549 2.886 1.00 24.24 H new ATOM 0 HA TYR A 32 -9.252 -14.636 2.921 1.00 30.14 H new ATOM 0 HB2 TYR A 32 -8.398 -11.890 3.953 1.00 73.13 H new ATOM 0 HB3 TYR A 32 -10.045 -12.481 3.861 1.00 73.13 H new ATOM 0 HD1 TYR A 32 -6.816 -12.850 5.643 1.00 71.11 H new ATOM 0 HD2 TYR A 32 -10.923 -13.998 5.561 1.00 22.24 H new ATOM 0 HE1 TYR A 32 -6.606 -13.768 7.906 1.00 15.23 H new ATOM 0 HE2 TYR A 32 -10.708 -14.910 7.832 1.00 24.40 H new ATOM 0 HH TYR A 32 -9.378 -15.280 9.563 1.00 11.35 H new ATOM 513 N PRO A 33 -8.693 -13.836 0.425 1.00 34.15 N ATOM 514 CA PRO A 33 -8.834 -13.270 -0.931 1.00 62.12 C ATOM 515 C PRO A 33 -10.238 -12.688 -1.190 1.00 51.15 C ATOM 516 O PRO A 33 -11.253 -13.276 -0.801 1.00 45.34 O ATOM 517 CB PRO A 33 -8.555 -14.469 -1.853 1.00 60.42 C ATOM 518 CG PRO A 33 -8.852 -15.671 -1.018 1.00 21.55 C ATOM 519 CD PRO A 33 -8.482 -15.297 0.394 1.00 24.14 C ATOM 0 HA PRO A 33 -8.157 -12.431 -1.092 1.00 62.12 H new ATOM 0 HB2 PRO A 33 -9.185 -14.439 -2.742 1.00 60.42 H new ATOM 0 HB3 PRO A 33 -7.520 -14.472 -2.196 1.00 60.42 H new ATOM 0 HG2 PRO A 33 -9.905 -15.943 -1.086 1.00 21.55 H new ATOM 0 HG3 PRO A 33 -8.277 -16.533 -1.357 1.00 21.55 H new ATOM 0 HD2 PRO A 33 -9.109 -15.810 1.123 1.00 24.14 H new ATOM 0 HD3 PRO A 33 -7.449 -15.559 0.622 1.00 24.14 H new ATOM 527 N GLY A 34 -10.285 -11.525 -1.842 1.00 4.23 N ATOM 528 CA GLY A 34 -11.558 -10.872 -2.142 1.00 42.14 C ATOM 529 C GLY A 34 -11.911 -9.755 -1.157 1.00 54.51 C ATOM 530 O GLY A 34 -12.659 -8.833 -1.490 1.00 31.13 O ATOM 0 H GLY A 34 -9.462 -11.020 -2.170 1.00 4.23 H new ATOM 0 HA2 GLY A 34 -11.518 -10.459 -3.150 1.00 42.14 H new ATOM 0 HA3 GLY A 34 -12.352 -11.618 -2.134 1.00 42.14 H new ATOM 534 N TYR A 35 -11.358 -9.822 0.054 1.00 32.24 N ATOM 535 CA TYR A 35 -11.645 -8.831 1.107 1.00 62.42 C ATOM 536 C TYR A 35 -10.793 -7.554 0.952 1.00 73.45 C ATOM 537 O TYR A 35 -10.598 -6.804 1.911 1.00 40.11 O ATOM 538 CB TYR A 35 -11.411 -9.456 2.491 1.00 22.25 C ATOM 539 CG TYR A 35 -12.361 -10.597 2.815 1.00 55.41 C ATOM 540 CD1 TYR A 35 -12.157 -11.871 2.293 1.00 11.11 C ATOM 541 CD2 TYR A 35 -13.463 -10.399 3.643 1.00 53.10 C ATOM 542 CE1 TYR A 35 -13.017 -12.910 2.586 1.00 35.12 C ATOM 543 CE2 TYR A 35 -14.327 -11.436 3.939 1.00 44.30 C ATOM 544 CZ TYR A 35 -14.101 -12.687 3.409 1.00 33.32 C ATOM 545 OH TYR A 35 -14.966 -13.723 3.699 1.00 44.34 O ATOM 0 H TYR A 35 -10.705 -10.553 0.337 1.00 32.24 H new ATOM 0 HA TYR A 35 -12.690 -8.539 1.007 1.00 62.42 H new ATOM 0 HB2 TYR A 35 -10.386 -9.822 2.546 1.00 22.25 H new ATOM 0 HB3 TYR A 35 -11.514 -8.682 3.251 1.00 22.25 H new ATOM 0 HD1 TYR A 35 -11.310 -12.050 1.647 1.00 11.11 H new ATOM 0 HD2 TYR A 35 -13.645 -9.420 4.060 1.00 53.10 H new ATOM 0 HE1 TYR A 35 -12.842 -13.892 2.173 1.00 35.12 H new ATOM 0 HE2 TYR A 35 -15.177 -11.266 4.584 1.00 44.30 H new ATOM 0 HH TYR A 35 -15.676 -13.400 4.293 1.00 44.34 H new ATOM 555 N ALA A 36 -10.325 -7.290 -0.269 1.00 71.13 N ATOM 556 CA ALA A 36 -9.487 -6.116 -0.553 1.00 62.30 C ATOM 557 C ALA A 36 -10.145 -4.801 -0.088 1.00 33.45 C ATOM 558 O ALA A 36 -9.471 -3.901 0.417 1.00 1.11 O ATOM 559 CB ALA A 36 -9.170 -6.054 -2.045 1.00 72.54 C ATOM 0 H ALA A 36 -10.512 -7.875 -1.084 1.00 71.13 H new ATOM 0 HA ALA A 36 -8.562 -6.227 0.013 1.00 62.30 H new ATOM 0 HB1 ALA A 36 -8.549 -5.182 -2.249 1.00 72.54 H new ATOM 0 HB2 ALA A 36 -8.636 -6.957 -2.341 1.00 72.54 H new ATOM 0 HB3 ALA A 36 -10.098 -5.979 -2.611 1.00 72.54 H new ATOM 565 N ARG A 37 -11.466 -4.700 -0.253 1.00 34.30 N ATOM 566 CA ARG A 37 -12.208 -3.497 0.150 1.00 14.34 C ATOM 567 C ARG A 37 -12.218 -3.333 1.684 1.00 61.34 C ATOM 568 O ARG A 37 -12.132 -2.213 2.201 1.00 32.40 O ATOM 569 CB ARG A 37 -13.644 -3.551 -0.403 1.00 51.14 C ATOM 570 CG ARG A 37 -14.495 -4.685 0.164 1.00 4.13 C ATOM 571 CD ARG A 37 -15.814 -4.847 -0.591 1.00 24.45 C ATOM 572 NE ARG A 37 -16.577 -3.604 -0.661 1.00 2.12 N ATOM 573 CZ ARG A 37 -17.800 -3.520 -1.108 1.00 23.43 C ATOM 574 NH1 ARG A 37 -18.432 -4.577 -1.505 1.00 13.21 N ATOM 575 NH2 ARG A 37 -18.387 -2.371 -1.156 1.00 41.31 N ATOM 0 H ARG A 37 -12.045 -5.433 -0.662 1.00 34.30 H new ATOM 0 HA ARG A 37 -11.703 -2.627 -0.270 1.00 14.34 H new ATOM 0 HB2 ARG A 37 -14.138 -2.602 -0.192 1.00 51.14 H new ATOM 0 HB3 ARG A 37 -13.599 -3.653 -1.487 1.00 51.14 H new ATOM 0 HG2 ARG A 37 -13.933 -5.618 0.116 1.00 4.13 H new ATOM 0 HG3 ARG A 37 -14.702 -4.491 1.217 1.00 4.13 H new ATOM 0 HD2 ARG A 37 -15.609 -5.201 -1.601 1.00 24.45 H new ATOM 0 HD3 ARG A 37 -16.417 -5.612 -0.102 1.00 24.45 H new ATOM 0 HE ARG A 37 -16.126 -2.747 -0.340 1.00 2.12 H new ATOM 0 HH11 ARG A 37 -17.974 -5.488 -1.470 1.00 13.21 H new ATOM 0 HH12 ARG A 37 -19.388 -4.499 -1.853 1.00 13.21 H new ATOM 0 HH21 ARG A 37 -17.895 -1.533 -0.845 1.00 41.31 H new ATOM 0 HH22 ARG A 37 -19.343 -2.301 -1.505 1.00 41.31 H new ATOM 589 N HIS A 38 -12.314 -4.456 2.400 1.00 41.23 N ATOM 590 CA HIS A 38 -12.230 -4.463 3.861 1.00 70.12 C ATOM 591 C HIS A 38 -10.841 -4.006 4.329 1.00 10.34 C ATOM 592 O HIS A 38 -10.717 -3.233 5.283 1.00 22.22 O ATOM 593 CB HIS A 38 -12.535 -5.869 4.386 1.00 31.25 C ATOM 594 CG HIS A 38 -13.895 -6.356 3.995 1.00 44.24 C ATOM 595 ND1 HIS A 38 -14.107 -7.050 2.826 1.00 61.22 N ATOM 596 CD2 HIS A 38 -15.073 -6.213 4.640 1.00 5.23 C ATOM 597 CE1 HIS A 38 -15.402 -7.311 2.790 1.00 22.11 C ATOM 598 NE2 HIS A 38 -16.028 -6.823 3.869 1.00 1.12 N ATOM 0 H HIS A 38 -12.451 -5.378 1.987 1.00 41.23 H new ATOM 0 HA HIS A 38 -12.966 -3.764 4.259 1.00 70.12 H new ATOM 0 HB2 HIS A 38 -11.784 -6.563 4.008 1.00 31.25 H new ATOM 0 HB3 HIS A 38 -12.453 -5.871 5.473 1.00 31.25 H new ATOM 0 HD2 HIS A 38 -15.232 -5.713 5.584 1.00 5.23 H new ATOM 0 HE1 HIS A 38 -15.893 -7.849 1.993 1.00 22.11 H new ATOM 0 HE2 HIS A 38 -17.024 -6.892 4.077 1.00 1.12 H new ATOM 606 N VAL A 39 -9.802 -4.485 3.643 1.00 4.35 N ATOM 607 CA VAL A 39 -8.430 -4.032 3.897 1.00 65.04 C ATOM 608 C VAL A 39 -8.321 -2.511 3.700 1.00 63.14 C ATOM 609 O VAL A 39 -7.669 -1.815 4.481 1.00 33.55 O ATOM 610 CB VAL A 39 -7.414 -4.745 2.966 1.00 60.43 C ATOM 611 CG1 VAL A 39 -5.984 -4.291 3.264 1.00 41.22 C ATOM 612 CG2 VAL A 39 -7.538 -6.263 3.090 1.00 40.00 C ATOM 0 H VAL A 39 -9.883 -5.187 2.907 1.00 4.35 H new ATOM 0 HA VAL A 39 -8.190 -4.285 4.930 1.00 65.04 H new ATOM 0 HB VAL A 39 -7.647 -4.467 1.938 1.00 60.43 H new ATOM 0 HG11 VAL A 39 -5.292 -4.806 2.597 1.00 41.22 H new ATOM 0 HG12 VAL A 39 -5.904 -3.215 3.109 1.00 41.22 H new ATOM 0 HG13 VAL A 39 -5.735 -4.528 4.298 1.00 41.22 H new ATOM 0 HG21 VAL A 39 -6.816 -6.742 2.428 1.00 40.00 H new ATOM 0 HG22 VAL A 39 -7.340 -6.561 4.120 1.00 40.00 H new ATOM 0 HG23 VAL A 39 -8.546 -6.570 2.810 1.00 40.00 H new ATOM 622 N GLY A 40 -8.980 -2.005 2.652 1.00 2.12 N ATOM 623 CA GLY A 40 -9.019 -0.568 2.394 1.00 15.34 C ATOM 624 C GLY A 40 -9.512 0.240 3.595 1.00 65.13 C ATOM 625 O GLY A 40 -8.919 1.257 3.951 1.00 10.33 O ATOM 0 H GLY A 40 -9.491 -2.570 1.973 1.00 2.12 H new ATOM 0 HA2 GLY A 40 -8.021 -0.227 2.118 1.00 15.34 H new ATOM 0 HA3 GLY A 40 -9.670 -0.375 1.541 1.00 15.34 H new ATOM 629 N LYS A 41 -10.599 -0.215 4.223 1.00 75.23 N ATOM 630 CA LYS A 41 -11.116 0.431 5.439 1.00 44.45 C ATOM 631 C LYS A 41 -10.109 0.345 6.592 1.00 40.01 C ATOM 632 O LYS A 41 -9.818 1.345 7.248 1.00 35.43 O ATOM 633 CB LYS A 41 -12.453 -0.196 5.870 1.00 50.21 C ATOM 634 CG LYS A 41 -13.635 0.201 4.990 1.00 71.11 C ATOM 635 CD LYS A 41 -13.828 1.718 4.948 1.00 61.10 C ATOM 636 CE LYS A 41 -15.146 2.107 4.283 1.00 31.04 C ATOM 637 NZ LYS A 41 -16.318 1.681 5.091 1.00 21.52 N ATOM 0 H LYS A 41 -11.138 -1.024 3.914 1.00 75.23 H new ATOM 0 HA LYS A 41 -11.278 1.482 5.200 1.00 44.45 H new ATOM 0 HB2 LYS A 41 -12.354 -1.281 5.860 1.00 50.21 H new ATOM 0 HB3 LYS A 41 -12.665 0.095 6.899 1.00 50.21 H new ATOM 0 HG2 LYS A 41 -13.477 -0.173 3.979 1.00 71.11 H new ATOM 0 HG3 LYS A 41 -14.543 -0.271 5.366 1.00 71.11 H new ATOM 0 HD2 LYS A 41 -13.802 2.115 5.963 1.00 61.10 H new ATOM 0 HD3 LYS A 41 -13.000 2.174 4.406 1.00 61.10 H new ATOM 0 HE2 LYS A 41 -15.176 3.187 4.140 1.00 31.04 H new ATOM 0 HE3 LYS A 41 -15.202 1.653 3.294 1.00 31.04 H new ATOM 0 HZ1 LYS A 41 -17.167 2.185 4.763 1.00 21.52 H new ATOM 0 HZ2 LYS A 41 -16.460 0.656 4.983 1.00 21.52 H new ATOM 0 HZ3 LYS A 41 -16.148 1.903 6.093 1.00 21.52 H new ATOM 651 N ALA A 42 -9.569 -0.852 6.819 1.00 43.43 N ATOM 652 CA ALA A 42 -8.603 -1.077 7.900 1.00 3.51 C ATOM 653 C ALA A 42 -7.417 -0.103 7.812 1.00 30.02 C ATOM 654 O ALA A 42 -6.877 0.330 8.830 1.00 73.50 O ATOM 655 CB ALA A 42 -8.109 -2.521 7.870 1.00 11.31 C ATOM 0 H ALA A 42 -9.783 -1.684 6.269 1.00 43.43 H new ATOM 0 HA ALA A 42 -9.111 -0.892 8.847 1.00 3.51 H new ATOM 0 HB1 ALA A 42 -7.392 -2.677 8.676 1.00 11.31 H new ATOM 0 HB2 ALA A 42 -8.954 -3.197 7.999 1.00 11.31 H new ATOM 0 HB3 ALA A 42 -7.627 -2.721 6.913 1.00 11.31 H new ATOM 661 N LEU A 43 -7.025 0.242 6.585 1.00 64.12 N ATOM 662 CA LEU A 43 -5.936 1.198 6.352 1.00 23.20 C ATOM 663 C LEU A 43 -6.439 2.651 6.384 1.00 30.22 C ATOM 664 O LEU A 43 -5.761 3.540 6.896 1.00 20.52 O ATOM 665 CB LEU A 43 -5.262 0.901 5.008 1.00 42.25 C ATOM 666 CG LEU A 43 -4.686 -0.519 4.881 1.00 32.44 C ATOM 667 CD1 LEU A 43 -4.057 -0.729 3.507 1.00 14.31 C ATOM 668 CD2 LEU A 43 -3.672 -0.792 5.991 1.00 60.45 C ATOM 0 H LEU A 43 -7.446 -0.127 5.732 1.00 64.12 H new ATOM 0 HA LEU A 43 -5.210 1.083 7.157 1.00 23.20 H new ATOM 0 HB2 LEU A 43 -5.988 1.057 4.210 1.00 42.25 H new ATOM 0 HB3 LEU A 43 -4.458 1.620 4.853 1.00 42.25 H new ATOM 0 HG LEU A 43 -5.506 -1.229 4.988 1.00 32.44 H new ATOM 0 HD11 LEU A 43 -3.656 -1.741 3.441 1.00 14.31 H new ATOM 0 HD12 LEU A 43 -4.813 -0.587 2.735 1.00 14.31 H new ATOM 0 HD13 LEU A 43 -3.251 -0.010 3.362 1.00 14.31 H new ATOM 0 HD21 LEU A 43 -3.277 -1.802 5.882 1.00 60.45 H new ATOM 0 HD22 LEU A 43 -2.855 -0.073 5.922 1.00 60.45 H new ATOM 0 HD23 LEU A 43 -4.160 -0.696 6.961 1.00 60.45 H new ATOM 680 N GLY A 44 -7.633 2.882 5.838 1.00 10.35 N ATOM 681 CA GLY A 44 -8.219 4.223 5.835 1.00 35.13 C ATOM 682 C GLY A 44 -8.498 4.762 7.239 1.00 74.21 C ATOM 683 O GLY A 44 -8.634 5.971 7.438 1.00 33.15 O ATOM 0 H GLY A 44 -8.209 2.166 5.396 1.00 10.35 H new ATOM 0 HA2 GLY A 44 -7.545 4.906 5.318 1.00 35.13 H new ATOM 0 HA3 GLY A 44 -9.150 4.204 5.268 1.00 35.13 H new ATOM 687 N ASN A 45 -8.593 3.861 8.212 1.00 34.25 N ATOM 688 CA ASN A 45 -8.801 4.244 9.612 1.00 54.24 C ATOM 689 C ASN A 45 -7.481 4.622 10.314 1.00 24.21 C ATOM 690 O ASN A 45 -7.475 4.938 11.508 1.00 1.44 O ATOM 691 CB ASN A 45 -9.487 3.096 10.365 1.00 52.23 C ATOM 692 CG ASN A 45 -10.931 2.905 9.939 1.00 21.14 C ATOM 693 OD1 ASN A 45 -11.314 3.216 8.818 1.00 25.10 O ATOM 694 ND2 ASN A 45 -11.745 2.379 10.831 1.00 14.14 N ATOM 0 H ASN A 45 -8.529 2.854 8.059 1.00 34.25 H new ATOM 0 HA ASN A 45 -9.438 5.128 9.622 1.00 54.24 H new ATOM 0 HB2 ASN A 45 -8.935 2.172 10.193 1.00 52.23 H new ATOM 0 HB3 ASN A 45 -9.450 3.295 11.436 1.00 52.23 H new ATOM 0 HD21 ASN A 45 -12.725 2.220 10.596 1.00 14.14 H new ATOM 0 HD22 ASN A 45 -11.396 2.131 11.756 1.00 14.14 H new ATOM 701 N LEU A 46 -6.370 4.593 9.581 1.00 55.04 N ATOM 702 CA LEU A 46 -5.051 4.904 10.151 1.00 34.22 C ATOM 703 C LEU A 46 -4.637 6.364 9.880 1.00 13.33 C ATOM 704 O LEU A 46 -4.857 6.891 8.790 1.00 1.15 O ATOM 705 CB LEU A 46 -3.998 3.946 9.581 1.00 21.33 C ATOM 706 CG LEU A 46 -4.270 2.454 9.834 1.00 62.22 C ATOM 707 CD1 LEU A 46 -3.178 1.594 9.207 1.00 61.30 C ATOM 708 CD2 LEU A 46 -4.396 2.167 11.331 1.00 12.24 C ATOM 0 H LEU A 46 -6.352 4.357 8.589 1.00 55.04 H new ATOM 0 HA LEU A 46 -5.118 4.776 11.231 1.00 34.22 H new ATOM 0 HB2 LEU A 46 -3.925 4.109 8.506 1.00 21.33 H new ATOM 0 HB3 LEU A 46 -3.028 4.200 10.009 1.00 21.33 H new ATOM 0 HG LEU A 46 -5.219 2.198 9.362 1.00 62.22 H new ATOM 0 HD11 LEU A 46 -3.389 0.542 9.397 1.00 61.30 H new ATOM 0 HD12 LEU A 46 -3.149 1.769 8.132 1.00 61.30 H new ATOM 0 HD13 LEU A 46 -2.214 1.855 9.643 1.00 61.30 H new ATOM 0 HD21 LEU A 46 -4.588 1.105 11.483 1.00 12.24 H new ATOM 0 HD22 LEU A 46 -3.469 2.444 11.834 1.00 12.24 H new ATOM 0 HD23 LEU A 46 -5.220 2.748 11.745 1.00 12.24 H new ATOM 720 N PRO A 47 -4.035 7.038 10.882 1.00 74.25 N ATOM 721 CA PRO A 47 -3.579 8.431 10.744 1.00 35.13 C ATOM 722 C PRO A 47 -2.191 8.561 10.085 1.00 3.12 C ATOM 723 O PRO A 47 -1.549 7.567 9.748 1.00 4.04 O ATOM 724 CB PRO A 47 -3.533 8.900 12.200 1.00 75.24 C ATOM 725 CG PRO A 47 -3.146 7.678 12.967 1.00 30.15 C ATOM 726 CD PRO A 47 -3.765 6.507 12.237 1.00 51.23 C ATOM 0 HA PRO A 47 -4.231 9.015 10.095 1.00 35.13 H new ATOM 0 HB2 PRO A 47 -2.808 9.702 12.337 1.00 75.24 H new ATOM 0 HB3 PRO A 47 -4.500 9.285 12.525 1.00 75.24 H new ATOM 0 HG2 PRO A 47 -2.062 7.577 13.016 1.00 30.15 H new ATOM 0 HG3 PRO A 47 -3.508 7.732 13.994 1.00 30.15 H new ATOM 0 HD2 PRO A 47 -3.088 5.653 12.204 1.00 51.23 H new ATOM 0 HD3 PRO A 47 -4.680 6.170 12.724 1.00 51.23 H new ATOM 734 N GLU A 48 -1.732 9.806 9.925 1.00 41.22 N ATOM 735 CA GLU A 48 -0.425 10.094 9.307 1.00 0.02 C ATOM 736 C GLU A 48 0.756 9.596 10.163 1.00 51.34 C ATOM 737 O GLU A 48 1.885 9.491 9.676 1.00 3.24 O ATOM 738 CB GLU A 48 -0.277 11.604 9.077 1.00 51.10 C ATOM 739 CG GLU A 48 -1.379 12.211 8.219 1.00 24.04 C ATOM 740 CD GLU A 48 -1.218 13.713 8.034 1.00 14.35 C ATOM 741 OE1 GLU A 48 -1.549 14.470 8.969 1.00 1.32 O ATOM 742 OE2 GLU A 48 -0.759 14.146 6.954 1.00 64.44 O ATOM 0 H GLU A 48 -2.246 10.638 10.215 1.00 41.22 H new ATOM 0 HA GLU A 48 -0.397 9.558 8.358 1.00 0.02 H new ATOM 0 HB2 GLU A 48 -0.263 12.109 10.043 1.00 51.10 H new ATOM 0 HB3 GLU A 48 0.686 11.796 8.603 1.00 51.10 H new ATOM 0 HG2 GLU A 48 -1.382 11.727 7.242 1.00 24.04 H new ATOM 0 HG3 GLU A 48 -2.346 12.007 8.679 1.00 24.04 H new ATOM 749 N GLY A 49 0.496 9.318 11.440 1.00 12.23 N ATOM 750 CA GLY A 49 1.547 8.845 12.340 1.00 14.54 C ATOM 751 C GLY A 49 1.309 7.428 12.855 1.00 65.41 C ATOM 752 O GLY A 49 1.538 7.140 14.031 1.00 41.52 O ATOM 0 H GLY A 49 -0.424 9.411 11.871 1.00 12.23 H new ATOM 0 HA2 GLY A 49 2.504 8.879 11.819 1.00 14.54 H new ATOM 0 HA3 GLY A 49 1.622 9.525 13.189 1.00 14.54 H new ATOM 756 N SER A 50 0.845 6.539 11.981 1.00 0.02 N ATOM 757 CA SER A 50 0.639 5.131 12.348 1.00 54.13 C ATOM 758 C SER A 50 1.942 4.330 12.219 1.00 61.33 C ATOM 759 O SER A 50 2.793 4.643 11.383 1.00 72.15 O ATOM 760 CB SER A 50 -0.443 4.490 11.468 1.00 71.00 C ATOM 761 OG SER A 50 -0.610 3.113 11.775 1.00 31.31 O ATOM 0 H SER A 50 0.604 6.762 11.015 1.00 0.02 H new ATOM 0 HA SER A 50 0.313 5.110 13.388 1.00 54.13 H new ATOM 0 HB2 SER A 50 -1.388 5.014 11.611 1.00 71.00 H new ATOM 0 HB3 SER A 50 -0.173 4.600 10.418 1.00 71.00 H new ATOM 0 HG SER A 50 -0.582 2.588 10.948 1.00 31.31 H new ATOM 767 N LYS A 51 2.103 3.304 13.056 1.00 52.32 N ATOM 768 CA LYS A 51 3.279 2.432 12.978 1.00 55.41 C ATOM 769 C LYS A 51 3.142 1.446 11.810 1.00 25.31 C ATOM 770 O LYS A 51 4.134 0.941 11.283 1.00 70.41 O ATOM 771 CB LYS A 51 3.472 1.669 14.299 1.00 51.34 C ATOM 772 CG LYS A 51 4.741 0.820 14.340 1.00 2.52 C ATOM 773 CD LYS A 51 5.999 1.663 14.128 1.00 15.31 C ATOM 774 CE LYS A 51 7.257 0.803 14.055 1.00 5.20 C ATOM 775 NZ LYS A 51 7.479 0.024 15.302 1.00 61.22 N ATOM 0 H LYS A 51 1.440 3.056 13.791 1.00 52.32 H new ATOM 0 HA LYS A 51 4.156 3.055 12.805 1.00 55.41 H new ATOM 0 HB2 LYS A 51 3.498 2.385 15.121 1.00 51.34 H new ATOM 0 HB3 LYS A 51 2.609 1.024 14.465 1.00 51.34 H new ATOM 0 HG2 LYS A 51 4.805 0.309 15.300 1.00 2.52 H new ATOM 0 HG3 LYS A 51 4.687 0.049 13.571 1.00 2.52 H new ATOM 0 HD2 LYS A 51 5.899 2.238 13.208 1.00 15.31 H new ATOM 0 HD3 LYS A 51 6.097 2.380 14.943 1.00 15.31 H new ATOM 0 HE2 LYS A 51 7.178 0.119 13.210 1.00 5.20 H new ATOM 0 HE3 LYS A 51 8.121 1.441 13.869 1.00 5.20 H new ATOM 0 HZ1 LYS A 51 8.395 -0.465 15.247 1.00 61.22 H new ATOM 0 HZ2 LYS A 51 7.479 0.668 16.118 1.00 61.22 H new ATOM 0 HZ3 LYS A 51 6.718 -0.676 15.414 1.00 61.22 H new ATOM 789 N LEU A 52 1.900 1.185 11.415 1.00 23.23 N ATOM 790 CA LEU A 52 1.611 0.327 10.265 1.00 4.54 C ATOM 791 C LEU A 52 1.628 1.149 8.967 1.00 32.12 C ATOM 792 O LEU A 52 0.790 2.033 8.773 1.00 72.00 O ATOM 793 CB LEU A 52 0.239 -0.341 10.433 1.00 72.33 C ATOM 794 CG LEU A 52 -0.166 -1.290 9.295 1.00 2.44 C ATOM 795 CD1 LEU A 52 0.765 -2.497 9.236 1.00 61.23 C ATOM 796 CD2 LEU A 52 -1.613 -1.731 9.454 1.00 55.41 C ATOM 0 H LEU A 52 1.070 1.557 11.877 1.00 23.23 H new ATOM 0 HA LEU A 52 2.380 -0.443 10.208 1.00 4.54 H new ATOM 0 HB2 LEU A 52 0.236 -0.899 11.369 1.00 72.33 H new ATOM 0 HB3 LEU A 52 -0.519 0.438 10.523 1.00 72.33 H new ATOM 0 HG LEU A 52 -0.076 -0.749 8.353 1.00 2.44 H new ATOM 0 HD11 LEU A 52 0.458 -3.154 8.422 1.00 61.23 H new ATOM 0 HD12 LEU A 52 1.787 -2.160 9.064 1.00 61.23 H new ATOM 0 HD13 LEU A 52 0.716 -3.041 10.179 1.00 61.23 H new ATOM 0 HD21 LEU A 52 -1.880 -2.403 8.638 1.00 55.41 H new ATOM 0 HD22 LEU A 52 -1.733 -2.250 10.405 1.00 55.41 H new ATOM 0 HD23 LEU A 52 -2.264 -0.857 9.433 1.00 55.41 H new ATOM 808 N PRO A 53 2.581 0.887 8.053 1.00 5.00 N ATOM 809 CA PRO A 53 2.674 1.653 6.811 1.00 11.12 C ATOM 810 C PRO A 53 1.542 1.317 5.823 1.00 23.40 C ATOM 811 O PRO A 53 1.644 0.389 5.021 1.00 53.03 O ATOM 812 CB PRO A 53 4.044 1.242 6.253 1.00 53.44 C ATOM 813 CG PRO A 53 4.286 -0.126 6.804 1.00 74.51 C ATOM 814 CD PRO A 53 3.625 -0.152 8.159 1.00 5.02 C ATOM 0 HA PRO A 53 2.575 2.726 6.976 1.00 11.12 H new ATOM 0 HB2 PRO A 53 4.041 1.235 5.163 1.00 53.44 H new ATOM 0 HB3 PRO A 53 4.823 1.938 6.565 1.00 53.44 H new ATOM 0 HG2 PRO A 53 3.865 -0.890 6.150 1.00 74.51 H new ATOM 0 HG3 PRO A 53 5.354 -0.330 6.887 1.00 74.51 H new ATOM 0 HD2 PRO A 53 3.197 -1.130 8.378 1.00 5.02 H new ATOM 0 HD3 PRO A 53 4.334 0.071 8.956 1.00 5.02 H new ATOM 822 N TRP A 54 0.472 2.107 5.876 1.00 31.51 N ATOM 823 CA TRP A 54 -0.671 1.941 4.969 1.00 42.40 C ATOM 824 C TRP A 54 -0.369 2.539 3.590 1.00 4.34 C ATOM 825 O TRP A 54 -0.861 2.060 2.568 1.00 31.15 O ATOM 826 CB TRP A 54 -1.924 2.596 5.574 1.00 73.52 C ATOM 827 CG TRP A 54 -1.724 4.019 6.018 1.00 51.15 C ATOM 828 CD1 TRP A 54 -1.321 4.441 7.255 1.00 13.21 C ATOM 829 CD2 TRP A 54 -1.918 5.206 5.234 1.00 24.30 C ATOM 830 NE1 TRP A 54 -1.254 5.811 7.288 1.00 35.23 N ATOM 831 CE2 TRP A 54 -1.612 6.304 6.062 1.00 22.04 C ATOM 832 CE3 TRP A 54 -2.313 5.448 3.913 1.00 62.44 C ATOM 833 CZ2 TRP A 54 -1.691 7.620 5.614 1.00 75.00 C ATOM 834 CZ3 TRP A 54 -2.396 6.756 3.470 1.00 70.32 C ATOM 835 CH2 TRP A 54 -2.084 7.828 4.319 1.00 41.02 C ATOM 0 H TRP A 54 0.369 2.874 6.540 1.00 31.51 H new ATOM 0 HA TRP A 54 -0.855 0.874 4.841 1.00 42.40 H new ATOM 0 HB2 TRP A 54 -2.727 2.567 4.837 1.00 73.52 H new ATOM 0 HB3 TRP A 54 -2.253 2.004 6.428 1.00 73.52 H new ATOM 0 HD1 TRP A 54 -1.089 3.790 8.085 1.00 13.21 H new ATOM 0 HE1 TRP A 54 -0.982 6.372 8.095 1.00 35.23 H new ATOM 0 HE3 TRP A 54 -2.549 4.628 3.251 1.00 62.44 H new ATOM 0 HZ2 TRP A 54 -1.451 8.448 6.265 1.00 75.00 H new ATOM 0 HZ3 TRP A 54 -2.706 6.955 2.455 1.00 70.32 H new ATOM 0 HH2 TRP A 54 -2.155 8.838 3.944 1.00 41.02 H new ATOM 846 N PHE A 55 0.464 3.573 3.581 1.00 34.42 N ATOM 847 CA PHE A 55 0.842 4.279 2.351 1.00 63.22 C ATOM 848 C PHE A 55 1.527 3.363 1.315 1.00 73.44 C ATOM 849 O PHE A 55 1.605 3.704 0.135 1.00 25.54 O ATOM 850 CB PHE A 55 1.746 5.479 2.693 1.00 34.03 C ATOM 851 CG PHE A 55 2.860 5.164 3.667 1.00 31.33 C ATOM 852 CD1 PHE A 55 4.060 4.621 3.230 1.00 22.02 C ATOM 853 CD2 PHE A 55 2.703 5.421 5.024 1.00 61.30 C ATOM 854 CE1 PHE A 55 5.075 4.339 4.122 1.00 73.05 C ATOM 855 CE2 PHE A 55 3.717 5.140 5.919 1.00 44.14 C ATOM 856 CZ PHE A 55 4.905 4.598 5.468 1.00 11.51 C ATOM 0 H PHE A 55 0.899 3.950 4.423 1.00 34.42 H new ATOM 0 HA PHE A 55 -0.079 4.632 1.888 1.00 63.22 H new ATOM 0 HB2 PHE A 55 2.183 5.863 1.771 1.00 34.03 H new ATOM 0 HB3 PHE A 55 1.130 6.276 3.110 1.00 34.03 H new ATOM 0 HD1 PHE A 55 4.202 4.417 2.179 1.00 22.02 H new ATOM 0 HD2 PHE A 55 1.777 5.845 5.383 1.00 61.30 H new ATOM 0 HE1 PHE A 55 6.003 3.915 3.767 1.00 73.05 H new ATOM 0 HE2 PHE A 55 3.581 5.344 6.971 1.00 44.14 H new ATOM 0 HZ PHE A 55 5.699 4.377 6.166 1.00 11.51 H new ATOM 866 N ARG A 56 2.009 2.200 1.754 1.00 62.54 N ATOM 867 CA ARG A 56 2.697 1.252 0.863 1.00 2.31 C ATOM 868 C ARG A 56 1.715 0.440 -0.002 1.00 51.42 C ATOM 869 O ARG A 56 2.132 -0.315 -0.882 1.00 22.53 O ATOM 870 CB ARG A 56 3.556 0.285 1.685 1.00 61.44 C ATOM 871 CG ARG A 56 4.742 0.936 2.392 1.00 43.44 C ATOM 872 CD ARG A 56 5.491 -0.084 3.242 1.00 43.00 C ATOM 873 NE ARG A 56 6.723 0.444 3.825 1.00 72.22 N ATOM 874 CZ ARG A 56 7.577 -0.287 4.491 1.00 71.11 C ATOM 875 NH1 ARG A 56 7.327 -1.533 4.737 1.00 20.32 N ATOM 876 NH2 ARG A 56 8.671 0.234 4.927 1.00 13.02 N ATOM 0 H ARG A 56 1.938 1.887 2.722 1.00 62.54 H new ATOM 0 HA ARG A 56 3.324 1.844 0.195 1.00 2.31 H new ATOM 0 HB2 ARG A 56 2.925 -0.197 2.431 1.00 61.44 H new ATOM 0 HB3 ARG A 56 3.928 -0.500 1.027 1.00 61.44 H new ATOM 0 HG2 ARG A 56 5.418 1.368 1.655 1.00 43.44 H new ATOM 0 HG3 ARG A 56 4.392 1.754 3.022 1.00 43.44 H new ATOM 0 HD2 ARG A 56 4.837 -0.430 4.043 1.00 43.00 H new ATOM 0 HD3 ARG A 56 5.730 -0.953 2.628 1.00 43.00 H new ATOM 0 HE ARG A 56 6.927 1.436 3.706 1.00 72.22 H new ATOM 0 HH11 ARG A 56 6.457 -1.953 4.410 1.00 20.32 H new ATOM 0 HH12 ARG A 56 8.000 -2.095 5.258 1.00 20.32 H new ATOM 0 HH21 ARG A 56 8.872 1.219 4.753 1.00 13.02 H new ATOM 0 HH22 ARG A 56 9.337 -0.338 5.447 1.00 13.02 H new ATOM 890 N VAL A 57 0.417 0.579 0.255 1.00 60.25 N ATOM 891 CA VAL A 57 -0.595 -0.218 -0.453 1.00 73.23 C ATOM 892 C VAL A 57 -1.431 0.637 -1.422 1.00 31.42 C ATOM 893 O VAL A 57 -2.136 1.559 -1.010 1.00 1.11 O ATOM 894 CB VAL A 57 -1.539 -0.932 0.547 1.00 51.02 C ATOM 895 CG1 VAL A 57 -2.483 -1.887 -0.181 1.00 74.14 C ATOM 896 CG2 VAL A 57 -0.736 -1.672 1.618 1.00 52.33 C ATOM 0 H VAL A 57 0.038 1.230 0.943 1.00 60.25 H new ATOM 0 HA VAL A 57 -0.052 -0.963 -1.035 1.00 73.23 H new ATOM 0 HB VAL A 57 -2.144 -0.172 1.041 1.00 51.02 H new ATOM 0 HG11 VAL A 57 -3.135 -2.376 0.543 1.00 74.14 H new ATOM 0 HG12 VAL A 57 -3.088 -1.327 -0.895 1.00 74.14 H new ATOM 0 HG13 VAL A 57 -1.901 -2.640 -0.711 1.00 74.14 H new ATOM 0 HG21 VAL A 57 -1.419 -2.166 2.309 1.00 52.33 H new ATOM 0 HG22 VAL A 57 -0.098 -2.418 1.144 1.00 52.33 H new ATOM 0 HG23 VAL A 57 -0.118 -0.961 2.166 1.00 52.33 H new ATOM 906 N ILE A 58 -1.350 0.314 -2.714 1.00 13.03 N ATOM 907 CA ILE A 58 -2.124 1.017 -3.751 1.00 72.44 C ATOM 908 C ILE A 58 -3.009 0.039 -4.547 1.00 60.42 C ATOM 909 O ILE A 58 -3.023 -1.161 -4.274 1.00 62.12 O ATOM 910 CB ILE A 58 -1.194 1.780 -4.733 1.00 72.24 C ATOM 911 CG1 ILE A 58 -0.210 0.810 -5.414 1.00 2.45 C ATOM 912 CG2 ILE A 58 -0.446 2.900 -4.007 1.00 15.30 C ATOM 913 CD1 ILE A 58 0.711 1.474 -6.418 1.00 33.14 C ATOM 0 H ILE A 58 -0.755 -0.433 -3.073 1.00 13.03 H new ATOM 0 HA ILE A 58 -2.761 1.736 -3.236 1.00 72.44 H new ATOM 0 HB ILE A 58 -1.811 2.234 -5.509 1.00 72.24 H new ATOM 0 HG12 ILE A 58 0.394 0.323 -4.648 1.00 2.45 H new ATOM 0 HG13 ILE A 58 -0.777 0.027 -5.918 1.00 2.45 H new ATOM 0 HG21 ILE A 58 0.200 3.423 -4.712 1.00 15.30 H new ATOM 0 HG22 ILE A 58 -1.164 3.602 -3.584 1.00 15.30 H new ATOM 0 HG23 ILE A 58 0.160 2.474 -3.207 1.00 15.30 H new ATOM 0 HD11 ILE A 58 1.373 0.726 -6.854 1.00 33.14 H new ATOM 0 HD12 ILE A 58 0.117 1.937 -7.206 1.00 33.14 H new ATOM 0 HD13 ILE A 58 1.306 2.237 -5.917 1.00 33.14 H new ATOM 925 N ASN A 59 -3.760 0.551 -5.524 1.00 4.41 N ATOM 926 CA ASN A 59 -4.602 -0.312 -6.365 1.00 54.40 C ATOM 927 C ASN A 59 -3.806 -0.914 -7.536 1.00 34.54 C ATOM 928 O ASN A 59 -2.767 -0.379 -7.928 1.00 33.43 O ATOM 929 CB ASN A 59 -5.845 0.446 -6.869 1.00 11.22 C ATOM 930 CG ASN A 59 -5.557 1.818 -7.472 1.00 35.51 C ATOM 931 OD1 ASN A 59 -4.402 2.000 -8.087 1.00 10.34 O flip ATOM 932 ND2 ASN A 59 -6.383 2.720 -7.389 1.00 14.21 N flip ATOM 0 H ASN A 59 -3.805 1.544 -5.753 1.00 4.41 H new ATOM 0 HA ASN A 59 -4.943 -1.140 -5.744 1.00 54.40 H new ATOM 0 HB2 ASN A 59 -6.348 -0.166 -7.618 1.00 11.22 H new ATOM 0 HB3 ASN A 59 -6.540 0.568 -6.038 1.00 11.22 H new ATOM 0 HD21 ASN A 59 -7.269 2.558 -6.910 1.00 14.21 H new ATOM 0 HD22 ASN A 59 -6.185 3.633 -7.799 1.00 14.21 H new ATOM 939 N SER A 60 -4.313 -2.010 -8.107 1.00 50.13 N ATOM 940 CA SER A 60 -3.604 -2.751 -9.171 1.00 22.35 C ATOM 941 C SER A 60 -3.282 -1.872 -10.391 1.00 62.43 C ATOM 942 O SER A 60 -2.421 -2.214 -11.204 1.00 23.42 O ATOM 943 CB SER A 60 -4.439 -3.953 -9.627 1.00 25.11 C ATOM 944 OG SER A 60 -5.597 -3.534 -10.336 1.00 64.34 O ATOM 0 H SER A 60 -5.216 -2.411 -7.853 1.00 50.13 H new ATOM 0 HA SER A 60 -2.660 -3.086 -8.741 1.00 22.35 H new ATOM 0 HB2 SER A 60 -3.834 -4.599 -10.263 1.00 25.11 H new ATOM 0 HB3 SER A 60 -4.734 -4.544 -8.760 1.00 25.11 H new ATOM 0 HG SER A 60 -6.111 -4.320 -10.617 1.00 64.34 H new ATOM 950 N GLN A 61 -3.976 -0.744 -10.514 1.00 62.50 N ATOM 951 CA GLN A 61 -3.766 0.190 -11.630 1.00 31.53 C ATOM 952 C GLN A 61 -2.421 0.939 -11.514 1.00 50.30 C ATOM 953 O GLN A 61 -2.013 1.640 -12.439 1.00 4.55 O ATOM 954 CB GLN A 61 -4.930 1.192 -11.686 1.00 13.21 C ATOM 955 CG GLN A 61 -6.304 0.525 -11.750 1.00 15.20 C ATOM 956 CD GLN A 61 -7.453 1.519 -11.784 1.00 2.30 C ATOM 957 OE1 GLN A 61 -7.326 2.626 -12.301 1.00 13.31 O ATOM 958 NE2 GLN A 61 -8.588 1.131 -11.237 1.00 45.12 N ATOM 0 H GLN A 61 -4.694 -0.448 -9.853 1.00 62.50 H new ATOM 0 HA GLN A 61 -3.732 -0.390 -12.552 1.00 31.53 H new ATOM 0 HB2 GLN A 61 -4.888 1.836 -10.808 1.00 13.21 H new ATOM 0 HB3 GLN A 61 -4.805 1.834 -12.558 1.00 13.21 H new ATOM 0 HG2 GLN A 61 -6.353 -0.107 -12.637 1.00 15.20 H new ATOM 0 HG3 GLN A 61 -6.424 -0.129 -10.886 1.00 15.20 H new ATOM 0 HE21 GLN A 61 -8.661 0.205 -10.816 1.00 45.12 H new ATOM 0 HE22 GLN A 61 -9.393 1.757 -11.235 1.00 45.12 H new ATOM 967 N GLY A 62 -1.739 0.783 -10.374 1.00 42.10 N ATOM 968 CA GLY A 62 -0.436 1.417 -10.172 1.00 63.02 C ATOM 969 C GLY A 62 -0.524 2.900 -9.821 1.00 14.51 C ATOM 970 O GLY A 62 0.262 3.711 -10.318 1.00 24.43 O ATOM 0 H GLY A 62 -2.066 0.227 -9.584 1.00 42.10 H new ATOM 0 HA2 GLY A 62 0.093 0.895 -9.375 1.00 63.02 H new ATOM 0 HA3 GLY A 62 0.159 1.302 -11.078 1.00 63.02 H new ATOM 974 N LYS A 63 -1.470 3.261 -8.956 1.00 65.34 N ATOM 975 CA LYS A 63 -1.665 4.665 -8.568 1.00 3.13 C ATOM 976 C LYS A 63 -2.248 4.798 -7.150 1.00 1.14 C ATOM 977 O LYS A 63 -2.917 3.892 -6.648 1.00 23.32 O ATOM 978 CB LYS A 63 -2.583 5.368 -9.584 1.00 54.11 C ATOM 979 CG LYS A 63 -2.913 6.817 -9.227 1.00 34.00 C ATOM 980 CD LYS A 63 -3.852 7.462 -10.240 1.00 74.20 C ATOM 981 CE LYS A 63 -4.313 8.839 -9.778 1.00 30.32 C ATOM 982 NZ LYS A 63 -5.076 8.770 -8.502 1.00 11.04 N ATOM 0 H LYS A 63 -2.113 2.607 -8.510 1.00 65.34 H new ATOM 0 HA LYS A 63 -0.686 5.144 -8.565 1.00 3.13 H new ATOM 0 HB2 LYS A 63 -2.107 5.346 -10.564 1.00 54.11 H new ATOM 0 HB3 LYS A 63 -3.512 4.805 -9.668 1.00 54.11 H new ATOM 0 HG2 LYS A 63 -3.370 6.850 -8.238 1.00 34.00 H new ATOM 0 HG3 LYS A 63 -1.990 7.394 -9.171 1.00 34.00 H new ATOM 0 HD2 LYS A 63 -3.346 7.550 -11.201 1.00 74.20 H new ATOM 0 HD3 LYS A 63 -4.719 6.820 -10.394 1.00 74.20 H new ATOM 0 HE2 LYS A 63 -3.446 9.487 -9.648 1.00 30.32 H new ATOM 0 HE3 LYS A 63 -4.936 9.291 -10.550 1.00 30.32 H new ATOM 0 HZ1 LYS A 63 -5.515 9.693 -8.309 1.00 11.04 H new ATOM 0 HZ2 LYS A 63 -5.817 8.044 -8.579 1.00 11.04 H new ATOM 0 HZ3 LYS A 63 -4.431 8.524 -7.724 1.00 11.04 H new ATOM 996 N ILE A 64 -1.978 5.937 -6.511 1.00 23.35 N ATOM 997 CA ILE A 64 -2.559 6.270 -5.207 1.00 75.22 C ATOM 998 C ILE A 64 -4.074 6.541 -5.338 1.00 1.20 C ATOM 999 O ILE A 64 -4.500 7.350 -6.168 1.00 5.53 O ATOM 1000 CB ILE A 64 -1.851 7.511 -4.596 1.00 24.40 C ATOM 1001 CG1 ILE A 64 -0.343 7.244 -4.433 1.00 75.21 C ATOM 1002 CG2 ILE A 64 -2.480 7.897 -3.258 1.00 1.14 C ATOM 1003 CD1 ILE A 64 0.445 8.434 -3.914 1.00 62.41 C ATOM 0 H ILE A 64 -1.353 6.653 -6.880 1.00 23.35 H new ATOM 0 HA ILE A 64 -2.412 5.418 -4.544 1.00 75.22 H new ATOM 0 HB ILE A 64 -1.981 8.349 -5.281 1.00 24.40 H new ATOM 0 HG12 ILE A 64 -0.205 6.405 -3.751 1.00 75.21 H new ATOM 0 HG13 ILE A 64 0.068 6.942 -5.396 1.00 75.21 H new ATOM 0 HG21 ILE A 64 -1.966 8.768 -2.852 1.00 1.14 H new ATOM 0 HG22 ILE A 64 -3.534 8.134 -3.406 1.00 1.14 H new ATOM 0 HG23 ILE A 64 -2.390 7.065 -2.560 1.00 1.14 H new ATOM 0 HD11 ILE A 64 1.497 8.164 -3.828 1.00 62.41 H new ATOM 0 HD12 ILE A 64 0.341 9.269 -4.606 1.00 62.41 H new ATOM 0 HD13 ILE A 64 0.063 8.724 -2.935 1.00 62.41 H new ATOM 1015 N SER A 65 -4.879 5.864 -4.510 1.00 31.22 N ATOM 1016 CA SER A 65 -6.355 5.918 -4.618 1.00 2.15 C ATOM 1017 C SER A 65 -6.974 7.051 -3.771 1.00 4.25 C ATOM 1018 O SER A 65 -8.193 7.120 -3.602 1.00 74.34 O ATOM 1019 CB SER A 65 -6.960 4.569 -4.191 1.00 43.35 C ATOM 1020 OG SER A 65 -8.374 4.564 -4.327 1.00 32.40 O ATOM 0 H SER A 65 -4.539 5.269 -3.754 1.00 31.22 H new ATOM 0 HA SER A 65 -6.590 6.126 -5.662 1.00 2.15 H new ATOM 0 HB2 SER A 65 -6.533 3.770 -4.797 1.00 43.35 H new ATOM 0 HB3 SER A 65 -6.693 4.361 -3.155 1.00 43.35 H new ATOM 0 HG SER A 65 -8.735 5.422 -4.022 1.00 32.40 H new ATOM 1026 N LEU A 66 -6.138 7.941 -3.253 1.00 70.11 N ATOM 1027 CA LEU A 66 -6.607 9.059 -2.420 1.00 31.43 C ATOM 1028 C LEU A 66 -6.762 10.356 -3.236 1.00 30.04 C ATOM 1029 O LEU A 66 -6.211 10.487 -4.333 1.00 54.50 O ATOM 1030 CB LEU A 66 -5.629 9.287 -1.259 1.00 3.33 C ATOM 1031 CG LEU A 66 -5.452 8.093 -0.305 1.00 65.23 C ATOM 1032 CD1 LEU A 66 -4.419 8.411 0.774 1.00 44.15 C ATOM 1033 CD2 LEU A 66 -6.790 7.703 0.325 1.00 54.21 C ATOM 0 H LEU A 66 -5.128 7.917 -3.391 1.00 70.11 H new ATOM 0 HA LEU A 66 -7.590 8.794 -2.030 1.00 31.43 H new ATOM 0 HB2 LEU A 66 -4.655 9.548 -1.672 1.00 3.33 H new ATOM 0 HB3 LEU A 66 -5.971 10.145 -0.681 1.00 3.33 H new ATOM 0 HG LEU A 66 -5.087 7.245 -0.885 1.00 65.23 H new ATOM 0 HD11 LEU A 66 -4.310 7.553 1.437 1.00 44.15 H new ATOM 0 HD12 LEU A 66 -3.460 8.632 0.306 1.00 44.15 H new ATOM 0 HD13 LEU A 66 -4.749 9.275 1.350 1.00 44.15 H new ATOM 0 HD21 LEU A 66 -6.643 6.857 0.996 1.00 54.21 H new ATOM 0 HD22 LEU A 66 -7.187 8.548 0.888 1.00 54.21 H new ATOM 0 HD23 LEU A 66 -7.494 7.426 -0.459 1.00 54.21 H new ATOM 1045 N LYS A 67 -7.523 11.308 -2.695 1.00 11.51 N ATOM 1046 CA LYS A 67 -7.704 12.620 -3.334 1.00 32.51 C ATOM 1047 C LYS A 67 -6.443 13.490 -3.186 1.00 55.33 C ATOM 1048 O LYS A 67 -5.681 13.308 -2.247 1.00 0.14 O ATOM 1049 CB LYS A 67 -8.921 13.338 -2.733 1.00 43.22 C ATOM 1050 CG LYS A 67 -10.245 12.633 -3.014 1.00 75.05 C ATOM 1051 CD LYS A 67 -10.552 12.580 -4.510 1.00 33.02 C ATOM 1052 CE LYS A 67 -11.862 11.856 -4.798 1.00 72.24 C ATOM 1053 NZ LYS A 67 -11.806 10.418 -4.430 1.00 4.42 N ATOM 0 H LYS A 67 -8.026 11.199 -1.815 1.00 11.51 H new ATOM 0 HA LYS A 67 -7.877 12.458 -4.398 1.00 32.51 H new ATOM 0 HB2 LYS A 67 -8.786 13.424 -1.655 1.00 43.22 H new ATOM 0 HB3 LYS A 67 -8.967 14.352 -3.130 1.00 43.22 H new ATOM 0 HG2 LYS A 67 -10.210 11.620 -2.614 1.00 75.05 H new ATOM 0 HG3 LYS A 67 -11.051 13.152 -2.496 1.00 75.05 H new ATOM 0 HD2 LYS A 67 -10.604 13.594 -4.906 1.00 33.02 H new ATOM 0 HD3 LYS A 67 -9.737 12.076 -5.030 1.00 33.02 H new ATOM 0 HE2 LYS A 67 -12.669 12.338 -4.247 1.00 72.24 H new ATOM 0 HE3 LYS A 67 -12.100 11.948 -5.858 1.00 72.24 H new ATOM 0 HZ1 LYS A 67 -12.658 9.936 -4.782 1.00 4.42 H new ATOM 0 HZ2 LYS A 67 -10.962 9.983 -4.855 1.00 4.42 H new ATOM 0 HZ3 LYS A 67 -11.759 10.326 -3.395 1.00 4.42 H new ATOM 1067 N GLY A 68 -6.266 14.453 -4.101 1.00 11.14 N ATOM 1068 CA GLY A 68 -5.027 15.247 -4.197 1.00 13.22 C ATOM 1069 C GLY A 68 -4.306 15.521 -2.869 1.00 54.12 C ATOM 1070 O GLY A 68 -3.125 15.195 -2.722 1.00 41.23 O ATOM 0 H GLY A 68 -6.972 14.705 -4.793 1.00 11.14 H new ATOM 0 HA2 GLY A 68 -4.337 14.730 -4.864 1.00 13.22 H new ATOM 0 HA3 GLY A 68 -5.265 16.203 -4.664 1.00 13.22 H new ATOM 1074 N ARG A 69 -5.010 16.117 -1.911 1.00 61.13 N ATOM 1075 CA ARG A 69 -4.436 16.426 -0.590 1.00 75.40 C ATOM 1076 C ARG A 69 -3.905 15.158 0.113 1.00 74.12 C ATOM 1077 O ARG A 69 -2.738 15.089 0.523 1.00 22.11 O ATOM 1078 CB ARG A 69 -5.505 17.095 0.288 1.00 52.42 C ATOM 1079 CG ARG A 69 -5.026 17.475 1.690 1.00 65.11 C ATOM 1080 CD ARG A 69 -6.200 17.747 2.625 1.00 72.24 C ATOM 1081 NE ARG A 69 -7.080 16.585 2.715 1.00 41.23 N ATOM 1082 CZ ARG A 69 -8.195 16.538 3.385 1.00 1.53 C ATOM 1083 NH1 ARG A 69 -8.623 17.563 4.050 1.00 23.35 N ATOM 1084 NH2 ARG A 69 -8.887 15.446 3.377 1.00 52.31 N ATOM 0 H ARG A 69 -5.984 16.400 -2.019 1.00 61.13 H new ATOM 0 HA ARG A 69 -3.594 17.102 -0.738 1.00 75.40 H new ATOM 0 HB2 ARG A 69 -5.862 17.993 -0.216 1.00 52.42 H new ATOM 0 HB3 ARG A 69 -6.357 16.421 0.379 1.00 52.42 H new ATOM 0 HG2 ARG A 69 -4.413 16.671 2.097 1.00 65.11 H new ATOM 0 HG3 ARG A 69 -4.392 18.360 1.632 1.00 65.11 H new ATOM 0 HD2 ARG A 69 -5.827 18.003 3.617 1.00 72.24 H new ATOM 0 HD3 ARG A 69 -6.764 18.607 2.265 1.00 72.24 H new ATOM 0 HE ARG A 69 -6.798 15.743 2.213 1.00 41.23 H new ATOM 0 HH11 ARG A 69 -8.084 18.429 4.056 1.00 23.35 H new ATOM 0 HH12 ARG A 69 -9.500 17.505 4.568 1.00 23.35 H new ATOM 0 HH21 ARG A 69 -8.557 14.637 2.851 1.00 52.31 H new ATOM 0 HH22 ARG A 69 -9.763 15.393 3.897 1.00 52.31 H new ATOM 1098 N ASP A 70 -4.776 14.161 0.255 1.00 10.24 N ATOM 1099 CA ASP A 70 -4.415 12.887 0.887 1.00 13.12 C ATOM 1100 C ASP A 70 -3.441 12.082 0.001 1.00 1.23 C ATOM 1101 O ASP A 70 -2.705 11.218 0.485 1.00 2.42 O ATOM 1102 CB ASP A 70 -5.686 12.069 1.163 1.00 54.11 C ATOM 1103 CG ASP A 70 -6.656 12.784 2.095 1.00 73.40 C ATOM 1104 OD1 ASP A 70 -7.034 13.935 1.799 1.00 12.34 O ATOM 1105 OD2 ASP A 70 -7.041 12.203 3.133 1.00 3.55 O ATOM 0 H ASP A 70 -5.745 14.209 -0.061 1.00 10.24 H new ATOM 0 HA ASP A 70 -3.910 13.099 1.829 1.00 13.12 H new ATOM 0 HB2 ASP A 70 -6.187 11.855 0.219 1.00 54.11 H new ATOM 0 HB3 ASP A 70 -5.408 11.110 1.601 1.00 54.11 H new ATOM 1110 N LEU A 71 -3.435 12.395 -1.293 1.00 12.42 N ATOM 1111 CA LEU A 71 -2.560 11.736 -2.264 1.00 11.31 C ATOM 1112 C LEU A 71 -1.108 12.178 -2.045 1.00 44.44 C ATOM 1113 O LEU A 71 -0.207 11.346 -1.947 1.00 62.01 O ATOM 1114 CB LEU A 71 -3.038 12.058 -3.698 1.00 22.32 C ATOM 1115 CG LEU A 71 -2.333 11.309 -4.854 1.00 70.24 C ATOM 1116 CD1 LEU A 71 -3.197 11.330 -6.116 1.00 51.12 C ATOM 1117 CD2 LEU A 71 -0.961 11.910 -5.158 1.00 25.22 C ATOM 0 H LEU A 71 -4.036 13.112 -1.699 1.00 12.42 H new ATOM 0 HA LEU A 71 -2.605 10.656 -2.125 1.00 11.31 H new ATOM 0 HB2 LEU A 71 -4.105 11.845 -3.756 1.00 22.32 H new ATOM 0 HB3 LEU A 71 -2.918 13.129 -3.864 1.00 22.32 H new ATOM 0 HG LEU A 71 -2.191 10.277 -4.533 1.00 70.24 H new ATOM 0 HD11 LEU A 71 -2.684 10.798 -6.917 1.00 51.12 H new ATOM 0 HD12 LEU A 71 -4.151 10.845 -5.912 1.00 51.12 H new ATOM 0 HD13 LEU A 71 -3.372 12.362 -6.420 1.00 51.12 H new ATOM 0 HD21 LEU A 71 -0.495 11.359 -5.975 1.00 25.22 H new ATOM 0 HD22 LEU A 71 -1.077 12.955 -5.445 1.00 25.22 H new ATOM 0 HD23 LEU A 71 -0.331 11.845 -4.271 1.00 25.22 H new ATOM 1129 N ASP A 72 -0.888 13.493 -1.965 1.00 50.11 N ATOM 1130 CA ASP A 72 0.444 14.028 -1.666 1.00 11.30 C ATOM 1131 C ASP A 72 0.927 13.560 -0.284 1.00 31.31 C ATOM 1132 O ASP A 72 2.121 13.381 -0.065 1.00 4.25 O ATOM 1133 CB ASP A 72 0.453 15.558 -1.740 1.00 4.35 C ATOM 1134 CG ASP A 72 0.227 16.075 -3.151 1.00 54.35 C ATOM 1135 OD1 ASP A 72 0.995 15.693 -4.062 1.00 33.41 O ATOM 1136 OD2 ASP A 72 -0.700 16.889 -3.353 1.00 45.34 O ATOM 0 H ASP A 72 -1.608 14.202 -2.102 1.00 50.11 H new ATOM 0 HA ASP A 72 1.130 13.644 -2.421 1.00 11.30 H new ATOM 0 HB2 ASP A 72 -0.321 15.955 -1.083 1.00 4.35 H new ATOM 0 HB3 ASP A 72 1.408 15.931 -1.369 1.00 4.35 H new ATOM 1141 N ARG A 73 -0.013 13.362 0.640 1.00 33.23 N ATOM 1142 CA ARG A 73 0.298 12.766 1.946 1.00 14.41 C ATOM 1143 C ARG A 73 0.973 11.395 1.779 1.00 0.23 C ATOM 1144 O ARG A 73 2.079 11.161 2.281 1.00 72.34 O ATOM 1145 CB ARG A 73 -0.988 12.612 2.771 1.00 10.21 C ATOM 1146 CG ARG A 73 -0.802 11.837 4.073 1.00 70.12 C ATOM 1147 CD ARG A 73 -2.127 11.624 4.793 1.00 54.11 C ATOM 1148 NE ARG A 73 -2.753 12.890 5.176 1.00 3.42 N ATOM 1149 CZ ARG A 73 -4.034 13.129 5.101 1.00 12.23 C ATOM 1150 NH1 ARG A 73 -4.846 12.225 4.660 1.00 5.14 N ATOM 1151 NH2 ARG A 73 -4.505 14.275 5.474 1.00 70.24 N ATOM 0 H ARG A 73 -0.996 13.604 0.512 1.00 33.23 H new ATOM 0 HA ARG A 73 0.988 13.429 2.467 1.00 14.41 H new ATOM 0 HB2 ARG A 73 -1.380 13.603 3.003 1.00 10.21 H new ATOM 0 HB3 ARG A 73 -1.739 12.107 2.164 1.00 10.21 H new ATOM 0 HG2 ARG A 73 -0.344 10.871 3.860 1.00 70.12 H new ATOM 0 HG3 ARG A 73 -0.116 12.378 4.725 1.00 70.12 H new ATOM 0 HD2 ARG A 73 -2.805 11.065 4.147 1.00 54.11 H new ATOM 0 HD3 ARG A 73 -1.962 11.017 5.683 1.00 54.11 H new ATOM 0 HE ARG A 73 -2.149 13.634 5.524 1.00 3.42 H new ATOM 0 HH11 ARG A 73 -4.487 11.316 4.367 1.00 5.14 H new ATOM 0 HH12 ARG A 73 -5.846 12.420 4.605 1.00 5.14 H new ATOM 0 HH21 ARG A 73 -3.875 14.995 5.828 1.00 70.24 H new ATOM 0 HH22 ARG A 73 -5.507 14.459 5.414 1.00 70.24 H new ATOM 1165 N GLN A 74 0.295 10.492 1.072 1.00 63.13 N ATOM 1166 CA GLN A 74 0.831 9.154 0.804 1.00 62.53 C ATOM 1167 C GLN A 74 2.124 9.243 -0.025 1.00 41.32 C ATOM 1168 O GLN A 74 3.083 8.506 0.207 1.00 42.41 O ATOM 1169 CB GLN A 74 -0.221 8.308 0.069 1.00 71.30 C ATOM 1170 CG GLN A 74 0.154 6.836 -0.063 1.00 73.54 C ATOM 1171 CD GLN A 74 -0.956 5.983 -0.658 1.00 62.14 C ATOM 1172 OE1 GLN A 74 -2.133 6.294 -0.530 1.00 32.22 O ATOM 1173 NE2 GLN A 74 -0.590 4.882 -1.284 1.00 32.22 N ATOM 0 H GLN A 74 -0.628 10.661 0.673 1.00 63.13 H new ATOM 0 HA GLN A 74 1.070 8.676 1.754 1.00 62.53 H new ATOM 0 HB2 GLN A 74 -1.170 8.385 0.599 1.00 71.30 H new ATOM 0 HB3 GLN A 74 -0.377 8.724 -0.926 1.00 71.30 H new ATOM 0 HG2 GLN A 74 1.043 6.749 -0.687 1.00 73.54 H new ATOM 0 HG3 GLN A 74 0.415 6.445 0.920 1.00 73.54 H new ATOM 0 HE21 GLN A 74 0.400 4.651 -1.374 1.00 32.22 H new ATOM 0 HE22 GLN A 74 -1.296 4.261 -1.679 1.00 32.22 H new ATOM 1182 N LYS A 75 2.131 10.175 -0.978 1.00 30.45 N ATOM 1183 CA LYS A 75 3.297 10.440 -1.827 1.00 11.14 C ATOM 1184 C LYS A 75 4.555 10.738 -0.989 1.00 1.11 C ATOM 1185 O LYS A 75 5.564 10.045 -1.112 1.00 53.24 O ATOM 1186 CB LYS A 75 2.981 11.623 -2.757 1.00 51.14 C ATOM 1187 CG LYS A 75 4.145 12.078 -3.634 1.00 35.24 C ATOM 1188 CD LYS A 75 3.770 13.299 -4.473 1.00 52.44 C ATOM 1189 CE LYS A 75 2.673 12.987 -5.488 1.00 65.21 C ATOM 1190 NZ LYS A 75 2.213 14.210 -6.200 1.00 34.10 N ATOM 0 H LYS A 75 1.328 10.769 -1.185 1.00 30.45 H new ATOM 0 HA LYS A 75 3.507 9.548 -2.418 1.00 11.14 H new ATOM 0 HB2 LYS A 75 2.146 11.348 -3.401 1.00 51.14 H new ATOM 0 HB3 LYS A 75 2.651 12.466 -2.150 1.00 51.14 H new ATOM 0 HG2 LYS A 75 5.004 12.316 -3.006 1.00 35.24 H new ATOM 0 HG3 LYS A 75 4.447 11.263 -4.291 1.00 35.24 H new ATOM 0 HD2 LYS A 75 3.436 14.101 -3.815 1.00 52.44 H new ATOM 0 HD3 LYS A 75 4.654 13.663 -4.996 1.00 52.44 H new ATOM 0 HE2 LYS A 75 3.044 12.263 -6.213 1.00 65.21 H new ATOM 0 HE3 LYS A 75 1.828 12.524 -4.979 1.00 65.21 H new ATOM 0 HZ1 LYS A 75 1.800 13.943 -7.117 1.00 34.10 H new ATOM 0 HZ2 LYS A 75 1.496 14.697 -5.626 1.00 34.10 H new ATOM 0 HZ3 LYS A 75 3.021 14.846 -6.356 1.00 34.10 H new ATOM 1204 N GLN A 76 4.477 11.761 -0.130 1.00 33.22 N ATOM 1205 CA GLN A 76 5.614 12.160 0.717 1.00 72.30 C ATOM 1206 C GLN A 76 6.138 10.983 1.555 1.00 13.14 C ATOM 1207 O GLN A 76 7.350 10.783 1.674 1.00 11.13 O ATOM 1208 CB GLN A 76 5.218 13.315 1.649 1.00 5.43 C ATOM 1209 CG GLN A 76 4.796 14.592 0.926 1.00 13.35 C ATOM 1210 CD GLN A 76 4.410 15.702 1.891 1.00 45.54 C ATOM 1211 OE1 GLN A 76 3.950 15.446 2.995 1.00 61.11 O ATOM 1212 NE2 GLN A 76 4.588 16.940 1.482 1.00 42.41 N ATOM 0 H GLN A 76 3.640 12.329 -0.001 1.00 33.22 H new ATOM 0 HA GLN A 76 6.411 12.489 0.050 1.00 72.30 H new ATOM 0 HB2 GLN A 76 4.398 12.986 2.288 1.00 5.43 H new ATOM 0 HB3 GLN A 76 6.060 13.543 2.303 1.00 5.43 H new ATOM 0 HG2 GLN A 76 5.613 14.934 0.291 1.00 13.35 H new ATOM 0 HG3 GLN A 76 3.953 14.374 0.271 1.00 13.35 H new ATOM 0 HE21 GLN A 76 4.974 17.120 0.555 1.00 42.41 H new ATOM 0 HE22 GLN A 76 4.340 17.719 2.092 1.00 42.41 H new ATOM 1221 N LYS A 77 5.218 10.214 2.137 1.00 12.43 N ATOM 1222 CA LYS A 77 5.579 9.027 2.922 1.00 41.44 C ATOM 1223 C LYS A 77 6.392 8.028 2.080 1.00 74.12 C ATOM 1224 O LYS A 77 7.448 7.557 2.500 1.00 32.52 O ATOM 1225 CB LYS A 77 4.314 8.345 3.461 1.00 73.22 C ATOM 1226 CG LYS A 77 3.525 9.181 4.470 1.00 61.23 C ATOM 1227 CD LYS A 77 4.283 9.365 5.786 1.00 62.35 C ATOM 1228 CE LYS A 77 3.457 10.136 6.814 1.00 14.55 C ATOM 1229 NZ LYS A 77 4.174 10.284 8.110 1.00 50.34 N ATOM 0 H LYS A 77 4.215 10.390 2.081 1.00 12.43 H new ATOM 0 HA LYS A 77 6.198 9.353 3.758 1.00 41.44 H new ATOM 0 HB2 LYS A 77 3.662 8.101 2.622 1.00 73.22 H new ATOM 0 HB3 LYS A 77 4.596 7.403 3.930 1.00 73.22 H new ATOM 0 HG2 LYS A 77 3.307 10.158 4.038 1.00 61.23 H new ATOM 0 HG3 LYS A 77 2.567 8.700 4.668 1.00 61.23 H new ATOM 0 HD2 LYS A 77 4.549 8.389 6.192 1.00 62.35 H new ATOM 0 HD3 LYS A 77 5.216 9.896 5.597 1.00 62.35 H new ATOM 0 HE2 LYS A 77 3.216 11.123 6.419 1.00 14.55 H new ATOM 0 HE3 LYS A 77 2.512 9.620 6.980 1.00 14.55 H new ATOM 0 HZ1 LYS A 77 3.538 10.024 8.890 1.00 50.34 H new ATOM 0 HZ2 LYS A 77 5.006 9.660 8.120 1.00 50.34 H new ATOM 0 HZ3 LYS A 77 4.480 11.271 8.227 1.00 50.34 H new ATOM 1243 N LEU A 78 5.892 7.724 0.884 1.00 22.41 N ATOM 1244 CA LEU A 78 6.567 6.799 -0.036 1.00 62.43 C ATOM 1245 C LEU A 78 7.948 7.323 -0.454 1.00 20.50 C ATOM 1246 O LEU A 78 8.914 6.560 -0.549 1.00 23.23 O ATOM 1247 CB LEU A 78 5.690 6.563 -1.270 1.00 75.40 C ATOM 1248 CG LEU A 78 4.360 5.853 -0.980 1.00 44.01 C ATOM 1249 CD1 LEU A 78 3.456 5.866 -2.210 1.00 30.44 C ATOM 1250 CD2 LEU A 78 4.615 4.424 -0.509 1.00 44.45 C ATOM 0 H LEU A 78 5.017 8.105 0.524 1.00 22.41 H new ATOM 0 HA LEU A 78 6.720 5.854 0.486 1.00 62.43 H new ATOM 0 HB2 LEU A 78 5.479 7.524 -1.739 1.00 75.40 H new ATOM 0 HB3 LEU A 78 6.253 5.972 -1.992 1.00 75.40 H new ATOM 0 HG LEU A 78 3.848 6.393 -0.184 1.00 44.01 H new ATOM 0 HD11 LEU A 78 2.520 5.357 -1.979 1.00 30.44 H new ATOM 0 HD12 LEU A 78 3.247 6.897 -2.497 1.00 30.44 H new ATOM 0 HD13 LEU A 78 3.954 5.354 -3.033 1.00 30.44 H new ATOM 0 HD21 LEU A 78 3.663 3.932 -0.307 1.00 44.45 H new ATOM 0 HD22 LEU A 78 5.150 3.875 -1.284 1.00 44.45 H new ATOM 0 HD23 LEU A 78 5.214 4.442 0.401 1.00 44.45 H new ATOM 1262 N GLU A 79 8.040 8.627 -0.701 1.00 3.43 N ATOM 1263 CA GLU A 79 9.323 9.257 -1.013 1.00 63.35 C ATOM 1264 C GLU A 79 10.334 9.030 0.123 1.00 34.51 C ATOM 1265 O GLU A 79 11.514 8.766 -0.120 1.00 23.25 O ATOM 1266 CB GLU A 79 9.136 10.760 -1.258 1.00 71.43 C ATOM 1267 CG GLU A 79 8.216 11.086 -2.429 1.00 55.32 C ATOM 1268 CD GLU A 79 8.123 12.578 -2.704 1.00 34.43 C ATOM 1269 OE1 GLU A 79 7.409 13.283 -1.961 1.00 43.02 O ATOM 1270 OE2 GLU A 79 8.780 13.058 -3.653 1.00 70.44 O ATOM 0 H GLU A 79 7.246 9.267 -0.692 1.00 3.43 H new ATOM 0 HA GLU A 79 9.714 8.797 -1.921 1.00 63.35 H new ATOM 0 HB2 GLU A 79 8.734 11.218 -0.354 1.00 71.43 H new ATOM 0 HB3 GLU A 79 10.111 11.213 -1.438 1.00 71.43 H new ATOM 0 HG2 GLU A 79 8.578 10.578 -3.323 1.00 55.32 H new ATOM 0 HG3 GLU A 79 7.219 10.696 -2.222 1.00 55.32 H new ATOM 1277 N ALA A 80 9.850 9.110 1.365 1.00 74.53 N ATOM 1278 CA ALA A 80 10.687 8.858 2.545 1.00 3.23 C ATOM 1279 C ALA A 80 11.168 7.397 2.587 1.00 74.15 C ATOM 1280 O ALA A 80 12.242 7.095 3.115 1.00 0.03 O ATOM 1281 CB ALA A 80 9.920 9.202 3.818 1.00 65.41 C ATOM 0 H ALA A 80 8.882 9.347 1.582 1.00 74.53 H new ATOM 0 HA ALA A 80 11.567 9.498 2.478 1.00 3.23 H new ATOM 0 HB1 ALA A 80 10.551 9.011 4.686 1.00 65.41 H new ATOM 0 HB2 ALA A 80 9.638 10.255 3.799 1.00 65.41 H new ATOM 0 HB3 ALA A 80 9.022 8.587 3.880 1.00 65.41 H new ATOM 1287 N GLU A 81 10.362 6.496 2.027 1.00 35.25 N ATOM 1288 CA GLU A 81 10.726 5.076 1.926 1.00 40.21 C ATOM 1289 C GLU A 81 11.791 4.849 0.837 1.00 30.42 C ATOM 1290 O GLU A 81 12.375 3.767 0.742 1.00 22.43 O ATOM 1291 CB GLU A 81 9.482 4.228 1.609 1.00 54.33 C ATOM 1292 CG GLU A 81 8.320 4.431 2.575 1.00 63.41 C ATOM 1293 CD GLU A 81 8.658 4.031 4.002 1.00 21.41 C ATOM 1294 OE1 GLU A 81 8.492 2.842 4.348 1.00 51.23 O ATOM 1295 OE2 GLU A 81 9.104 4.893 4.784 1.00 2.22 O ATOM 0 H GLU A 81 9.448 6.722 1.634 1.00 35.25 H new ATOM 0 HA GLU A 81 11.141 4.771 2.887 1.00 40.21 H new ATOM 0 HB2 GLU A 81 9.145 4.463 0.599 1.00 54.33 H new ATOM 0 HB3 GLU A 81 9.764 3.175 1.614 1.00 54.33 H new ATOM 0 HG2 GLU A 81 8.020 5.479 2.559 1.00 63.41 H new ATOM 0 HG3 GLU A 81 7.464 3.849 2.233 1.00 63.41 H new ATOM 1302 N GLY A 82 12.036 5.878 0.023 1.00 13.44 N ATOM 1303 CA GLY A 82 12.977 5.766 -1.089 1.00 62.52 C ATOM 1304 C GLY A 82 12.290 5.405 -2.405 1.00 1.20 C ATOM 1305 O GLY A 82 12.920 4.888 -3.332 1.00 15.22 O ATOM 0 H GLY A 82 11.597 6.794 0.114 1.00 13.44 H new ATOM 0 HA2 GLY A 82 13.508 6.711 -1.208 1.00 62.52 H new ATOM 0 HA3 GLY A 82 13.724 5.008 -0.853 1.00 62.52 H new ATOM 1309 N ILE A 83 10.988 5.688 -2.484 1.00 13.02 N ATOM 1310 CA ILE A 83 10.173 5.347 -3.657 1.00 74.33 C ATOM 1311 C ILE A 83 9.940 6.566 -4.570 1.00 1.04 C ATOM 1312 O ILE A 83 9.600 7.656 -4.106 1.00 22.24 O ATOM 1313 CB ILE A 83 8.805 4.761 -3.214 1.00 3.54 C ATOM 1314 CG1 ILE A 83 9.026 3.499 -2.359 1.00 14.13 C ATOM 1315 CG2 ILE A 83 7.917 4.454 -4.424 1.00 45.14 C ATOM 1316 CD1 ILE A 83 7.752 2.891 -1.809 1.00 65.54 C ATOM 0 H ILE A 83 10.469 6.158 -1.742 1.00 13.02 H new ATOM 0 HA ILE A 83 10.725 4.599 -4.226 1.00 74.33 H new ATOM 0 HB ILE A 83 8.288 5.507 -2.610 1.00 3.54 H new ATOM 0 HG12 ILE A 83 9.542 2.751 -2.962 1.00 14.13 H new ATOM 0 HG13 ILE A 83 9.685 3.748 -1.527 1.00 14.13 H new ATOM 0 HG21 ILE A 83 6.966 4.045 -4.083 1.00 45.14 H new ATOM 0 HG22 ILE A 83 7.737 5.371 -4.985 1.00 45.14 H new ATOM 0 HG23 ILE A 83 8.415 3.727 -5.066 1.00 45.14 H new ATOM 0 HD11 ILE A 83 7.996 2.007 -1.219 1.00 65.54 H new ATOM 0 HD12 ILE A 83 7.244 3.620 -1.178 1.00 65.54 H new ATOM 0 HD13 ILE A 83 7.098 2.608 -2.634 1.00 65.54 H new ATOM 1328 N GLU A 84 10.137 6.368 -5.872 1.00 25.35 N ATOM 1329 CA GLU A 84 9.893 7.411 -6.872 1.00 2.32 C ATOM 1330 C GLU A 84 8.406 7.463 -7.261 1.00 62.22 C ATOM 1331 O GLU A 84 7.911 6.597 -7.988 1.00 25.41 O ATOM 1332 CB GLU A 84 10.743 7.141 -8.123 1.00 41.50 C ATOM 1333 CG GLU A 84 10.631 8.214 -9.204 1.00 20.11 C ATOM 1334 CD GLU A 84 11.235 7.783 -10.536 1.00 70.34 C ATOM 1335 OE1 GLU A 84 12.251 7.057 -10.535 1.00 10.23 O ATOM 1336 OE2 GLU A 84 10.693 8.175 -11.590 1.00 11.12 O ATOM 0 H GLU A 84 10.468 5.486 -6.264 1.00 25.35 H new ATOM 0 HA GLU A 84 10.171 8.372 -6.439 1.00 2.32 H new ATOM 0 HB2 GLU A 84 11.788 7.050 -7.825 1.00 41.50 H new ATOM 0 HB3 GLU A 84 10.448 6.182 -8.548 1.00 41.50 H new ATOM 0 HG2 GLU A 84 9.581 8.465 -9.352 1.00 20.11 H new ATOM 0 HG3 GLU A 84 11.130 9.121 -8.861 1.00 20.11 H new ATOM 1343 N VAL A 85 7.694 8.473 -6.773 1.00 31.30 N ATOM 1344 CA VAL A 85 6.270 8.625 -7.078 1.00 1.20 C ATOM 1345 C VAL A 85 6.052 9.603 -8.245 1.00 33.50 C ATOM 1346 O VAL A 85 6.403 10.780 -8.161 1.00 23.43 O ATOM 1347 CB VAL A 85 5.475 9.119 -5.841 1.00 14.53 C ATOM 1348 CG1 VAL A 85 3.974 9.142 -6.133 1.00 71.44 C ATOM 1349 CG2 VAL A 85 5.777 8.249 -4.619 1.00 54.24 C ATOM 0 H VAL A 85 8.075 9.198 -6.166 1.00 31.30 H new ATOM 0 HA VAL A 85 5.901 7.640 -7.364 1.00 1.20 H new ATOM 0 HB VAL A 85 5.792 10.138 -5.619 1.00 14.53 H new ATOM 0 HG11 VAL A 85 3.437 9.492 -5.251 1.00 71.44 H new ATOM 0 HG12 VAL A 85 3.776 9.814 -6.968 1.00 71.44 H new ATOM 0 HG13 VAL A 85 3.637 8.137 -6.388 1.00 71.44 H new ATOM 0 HG21 VAL A 85 5.209 8.614 -3.763 1.00 54.24 H new ATOM 0 HG22 VAL A 85 5.495 7.217 -4.828 1.00 54.24 H new ATOM 0 HG23 VAL A 85 6.842 8.296 -4.393 1.00 54.24 H new ATOM 1359 N SER A 86 5.469 9.107 -9.337 1.00 35.33 N ATOM 1360 CA SER A 86 5.174 9.950 -10.509 1.00 42.41 C ATOM 1361 C SER A 86 4.163 11.045 -10.144 1.00 12.52 C ATOM 1362 O SER A 86 3.323 10.841 -9.266 1.00 23.33 O ATOM 1363 CB SER A 86 4.636 9.096 -11.664 1.00 54.14 C ATOM 1364 OG SER A 86 4.535 9.842 -12.866 1.00 12.41 O ATOM 0 H SER A 86 5.191 8.131 -9.440 1.00 35.33 H new ATOM 0 HA SER A 86 6.101 10.425 -10.830 1.00 42.41 H new ATOM 0 HB2 SER A 86 5.293 8.241 -11.821 1.00 54.14 H new ATOM 0 HB3 SER A 86 3.656 8.700 -11.398 1.00 54.14 H new ATOM 0 HG SER A 86 3.706 10.365 -12.858 1.00 12.41 H new ATOM 1370 N GLU A 87 4.229 12.180 -10.848 1.00 5.53 N ATOM 1371 CA GLU A 87 3.498 13.409 -10.474 1.00 54.14 C ATOM 1372 C GLU A 87 2.055 13.158 -9.973 1.00 21.50 C ATOM 1373 O GLU A 87 1.695 13.598 -8.879 1.00 60.52 O ATOM 1374 CB GLU A 87 3.489 14.416 -11.645 1.00 42.41 C ATOM 1375 CG GLU A 87 2.664 14.006 -12.867 1.00 34.41 C ATOM 1376 CD GLU A 87 3.137 12.713 -13.517 1.00 14.02 C ATOM 1377 OE1 GLU A 87 4.197 12.723 -14.175 1.00 22.52 O ATOM 1378 OE2 GLU A 87 2.449 11.679 -13.372 1.00 20.24 O ATOM 0 H GLU A 87 4.789 12.279 -11.695 1.00 5.53 H new ATOM 0 HA GLU A 87 4.043 13.829 -9.629 1.00 54.14 H new ATOM 0 HB2 GLU A 87 3.110 15.369 -11.277 1.00 42.41 H new ATOM 0 HB3 GLU A 87 4.518 14.584 -11.964 1.00 42.41 H new ATOM 0 HG2 GLU A 87 1.621 13.893 -12.570 1.00 34.41 H new ATOM 0 HG3 GLU A 87 2.700 14.808 -13.605 1.00 34.41 H new ATOM 1385 N ILE A 88 1.244 12.431 -10.749 1.00 10.50 N ATOM 1386 CA ILE A 88 -0.173 12.196 -10.402 1.00 24.03 C ATOM 1387 C ILE A 88 -0.354 11.111 -9.318 1.00 10.24 C ATOM 1388 O ILE A 88 -1.461 10.602 -9.114 1.00 2.04 O ATOM 1389 CB ILE A 88 -0.993 11.787 -11.656 1.00 13.43 C ATOM 1390 CG1 ILE A 88 -0.432 10.488 -12.267 1.00 11.11 C ATOM 1391 CG2 ILE A 88 -0.996 12.916 -12.688 1.00 61.55 C ATOM 1392 CD1 ILE A 88 -1.203 9.985 -13.470 1.00 0.13 C ATOM 0 H ILE A 88 1.539 11.993 -11.622 1.00 10.50 H new ATOM 0 HA ILE A 88 -0.541 13.141 -10.003 1.00 24.03 H new ATOM 0 HB ILE A 88 -2.023 11.603 -11.351 1.00 13.43 H new ATOM 0 HG12 ILE A 88 0.605 10.655 -12.558 1.00 11.11 H new ATOM 0 HG13 ILE A 88 -0.428 9.712 -11.502 1.00 11.11 H new ATOM 0 HG21 ILE A 88 -1.575 12.611 -13.559 1.00 61.55 H new ATOM 0 HG22 ILE A 88 -1.443 13.808 -12.250 1.00 61.55 H new ATOM 0 HG23 ILE A 88 0.028 13.134 -12.991 1.00 61.55 H new ATOM 0 HD11 ILE A 88 -0.744 9.068 -13.839 1.00 0.13 H new ATOM 0 HD12 ILE A 88 -2.235 9.784 -13.183 1.00 0.13 H new ATOM 0 HD13 ILE A 88 -1.186 10.741 -14.255 1.00 0.13 H new ATOM 1404 N GLY A 89 0.726 10.782 -8.615 1.00 73.33 N ATOM 1405 CA GLY A 89 0.683 9.720 -7.614 1.00 33.52 C ATOM 1406 C GLY A 89 0.716 8.329 -8.235 1.00 31.42 C ATOM 1407 O GLY A 89 0.047 7.412 -7.762 1.00 74.44 O ATOM 0 H GLY A 89 1.636 11.232 -8.718 1.00 73.33 H new ATOM 0 HA2 GLY A 89 1.528 9.831 -6.935 1.00 33.52 H new ATOM 0 HA3 GLY A 89 -0.222 9.826 -7.016 1.00 33.52 H new ATOM 1411 N LYS A 90 1.502 8.171 -9.296 1.00 50.31 N ATOM 1412 CA LYS A 90 1.574 6.896 -10.026 1.00 15.54 C ATOM 1413 C LYS A 90 2.853 6.113 -9.685 1.00 42.44 C ATOM 1414 O LYS A 90 3.953 6.675 -9.655 1.00 54.12 O ATOM 1415 CB LYS A 90 1.502 7.156 -11.538 1.00 11.34 C ATOM 1416 CG LYS A 90 1.580 5.891 -12.396 1.00 12.25 C ATOM 1417 CD LYS A 90 1.503 6.206 -13.892 1.00 40.20 C ATOM 1418 CE LYS A 90 2.690 7.039 -14.367 1.00 24.53 C ATOM 1419 NZ LYS A 90 3.980 6.304 -14.253 1.00 35.33 N ATOM 0 H LYS A 90 2.100 8.906 -9.674 1.00 50.31 H new ATOM 0 HA LYS A 90 0.724 6.287 -9.718 1.00 15.54 H new ATOM 0 HB2 LYS A 90 0.571 7.677 -11.762 1.00 11.34 H new ATOM 0 HB3 LYS A 90 2.316 7.824 -11.820 1.00 11.34 H new ATOM 0 HG2 LYS A 90 2.511 5.366 -12.184 1.00 12.25 H new ATOM 0 HG3 LYS A 90 0.766 5.219 -12.125 1.00 12.25 H new ATOM 0 HD2 LYS A 90 1.466 5.274 -14.456 1.00 40.20 H new ATOM 0 HD3 LYS A 90 0.578 6.743 -14.102 1.00 40.20 H new ATOM 0 HE2 LYS A 90 2.532 7.333 -15.405 1.00 24.53 H new ATOM 0 HE3 LYS A 90 2.744 7.956 -13.781 1.00 24.53 H new ATOM 0 HZ1 LYS A 90 4.731 6.846 -14.725 1.00 35.33 H new ATOM 0 HZ2 LYS A 90 4.221 6.180 -13.249 1.00 35.33 H new ATOM 0 HZ3 LYS A 90 3.890 5.372 -14.705 1.00 35.33 H new ATOM 1433 N ILE A 91 2.704 4.811 -9.448 1.00 3.44 N ATOM 1434 CA ILE A 91 3.837 3.935 -9.131 1.00 64.42 C ATOM 1435 C ILE A 91 3.916 2.755 -10.113 1.00 40.12 C ATOM 1436 O ILE A 91 2.995 1.939 -10.199 1.00 40.21 O ATOM 1437 CB ILE A 91 3.738 3.383 -7.687 1.00 13.21 C ATOM 1438 CG1 ILE A 91 3.672 4.537 -6.675 1.00 23.24 C ATOM 1439 CG2 ILE A 91 4.915 2.456 -7.377 1.00 21.23 C ATOM 1440 CD1 ILE A 91 3.555 4.080 -5.236 1.00 1.02 C ATOM 0 H ILE A 91 1.803 4.334 -9.469 1.00 3.44 H new ATOM 0 HA ILE A 91 4.739 4.540 -9.220 1.00 64.42 H new ATOM 0 HB ILE A 91 2.820 2.801 -7.605 1.00 13.21 H new ATOM 0 HG12 ILE A 91 4.566 5.152 -6.780 1.00 23.24 H new ATOM 0 HG13 ILE A 91 2.819 5.171 -6.916 1.00 23.24 H new ATOM 0 HG21 ILE A 91 4.824 2.081 -6.358 1.00 21.23 H new ATOM 0 HG22 ILE A 91 4.911 1.618 -8.074 1.00 21.23 H new ATOM 0 HG23 ILE A 91 5.849 3.008 -7.478 1.00 21.23 H new ATOM 0 HD11 ILE A 91 3.514 4.950 -4.580 1.00 1.02 H new ATOM 0 HD12 ILE A 91 2.646 3.490 -5.114 1.00 1.02 H new ATOM 0 HD13 ILE A 91 4.421 3.471 -4.976 1.00 1.02 H new ATOM 1452 N ALA A 92 5.015 2.672 -10.859 1.00 34.12 N ATOM 1453 CA ALA A 92 5.229 1.562 -11.790 1.00 2.11 C ATOM 1454 C ALA A 92 5.432 0.228 -11.047 1.00 60.02 C ATOM 1455 O ALA A 92 6.546 -0.106 -10.631 1.00 32.24 O ATOM 1456 CB ALA A 92 6.415 1.855 -12.704 1.00 11.13 C ATOM 0 H ALA A 92 5.770 3.357 -10.839 1.00 34.12 H new ATOM 0 HA ALA A 92 4.331 1.463 -12.401 1.00 2.11 H new ATOM 0 HB1 ALA A 92 6.561 1.020 -13.390 1.00 11.13 H new ATOM 0 HB2 ALA A 92 6.219 2.763 -13.274 1.00 11.13 H new ATOM 0 HB3 ALA A 92 7.313 1.991 -12.102 1.00 11.13 H new ATOM 1462 N LEU A 93 4.345 -0.525 -10.879 1.00 45.11 N ATOM 1463 CA LEU A 93 4.391 -1.824 -10.192 1.00 20.24 C ATOM 1464 C LEU A 93 5.408 -2.779 -10.835 1.00 5.44 C ATOM 1465 O LEU A 93 6.034 -3.581 -10.148 1.00 40.22 O ATOM 1466 CB LEU A 93 2.997 -2.472 -10.184 1.00 20.04 C ATOM 1467 CG LEU A 93 1.914 -1.697 -9.413 1.00 23.11 C ATOM 1468 CD1 LEU A 93 0.559 -2.392 -9.533 1.00 64.13 C ATOM 1469 CD2 LEU A 93 2.308 -1.536 -7.945 1.00 52.54 C ATOM 0 H LEU A 93 3.417 -0.260 -11.209 1.00 45.11 H new ATOM 0 HA LEU A 93 4.712 -1.638 -9.167 1.00 20.24 H new ATOM 0 HB2 LEU A 93 2.667 -2.596 -11.215 1.00 20.04 H new ATOM 0 HB3 LEU A 93 3.081 -3.470 -9.754 1.00 20.04 H new ATOM 0 HG LEU A 93 1.827 -0.705 -9.856 1.00 23.11 H new ATOM 0 HD11 LEU A 93 -0.191 -1.826 -8.980 1.00 64.13 H new ATOM 0 HD12 LEU A 93 0.270 -2.448 -10.583 1.00 64.13 H new ATOM 0 HD13 LEU A 93 0.629 -3.399 -9.122 1.00 64.13 H new ATOM 0 HD21 LEU A 93 1.529 -0.985 -7.418 1.00 52.54 H new ATOM 0 HD22 LEU A 93 2.428 -2.519 -7.491 1.00 52.54 H new ATOM 0 HD23 LEU A 93 3.248 -0.988 -7.879 1.00 52.54 H new ATOM 1481 N ARG A 94 5.574 -2.679 -12.153 1.00 23.23 N ATOM 1482 CA ARG A 94 6.527 -3.523 -12.891 1.00 34.03 C ATOM 1483 C ARG A 94 7.946 -3.474 -12.283 1.00 3.44 C ATOM 1484 O ARG A 94 8.730 -4.412 -12.440 1.00 74.30 O ATOM 1485 CB ARG A 94 6.565 -3.099 -14.369 1.00 44.30 C ATOM 1486 CG ARG A 94 7.462 -3.973 -15.246 1.00 24.43 C ATOM 1487 CD ARG A 94 7.375 -3.580 -16.718 1.00 24.00 C ATOM 1488 NE ARG A 94 8.264 -4.386 -17.558 1.00 41.42 N ATOM 1489 CZ ARG A 94 7.991 -4.752 -18.783 1.00 71.23 C ATOM 1490 NH1 ARG A 94 6.862 -4.431 -19.332 1.00 4.30 N ATOM 1491 NH2 ARG A 94 8.847 -5.441 -19.461 1.00 73.45 N ATOM 0 H ARG A 94 5.061 -2.020 -12.739 1.00 23.23 H new ATOM 0 HA ARG A 94 6.181 -4.554 -12.814 1.00 34.03 H new ATOM 0 HB2 ARG A 94 5.551 -3.122 -14.769 1.00 44.30 H new ATOM 0 HB3 ARG A 94 6.909 -2.067 -14.431 1.00 44.30 H new ATOM 0 HG2 ARG A 94 8.495 -3.888 -14.908 1.00 24.43 H new ATOM 0 HG3 ARG A 94 7.174 -5.018 -15.132 1.00 24.43 H new ATOM 0 HD2 ARG A 94 6.348 -3.696 -17.063 1.00 24.00 H new ATOM 0 HD3 ARG A 94 7.631 -2.526 -16.827 1.00 24.00 H new ATOM 0 HE ARG A 94 9.156 -4.681 -17.161 1.00 41.42 H new ATOM 0 HH11 ARG A 94 6.176 -3.888 -18.808 1.00 4.30 H new ATOM 0 HH12 ARG A 94 6.659 -4.722 -20.288 1.00 4.30 H new ATOM 0 HH21 ARG A 94 9.739 -5.701 -19.041 1.00 73.45 H new ATOM 0 HH22 ARG A 94 8.631 -5.725 -20.417 1.00 73.45 H new ATOM 1505 N LYS A 95 8.280 -2.382 -11.593 1.00 64.13 N ATOM 1506 CA LYS A 95 9.590 -2.262 -10.935 1.00 23.12 C ATOM 1507 C LYS A 95 9.463 -2.250 -9.400 1.00 10.03 C ATOM 1508 O LYS A 95 10.277 -2.850 -8.699 1.00 51.43 O ATOM 1509 CB LYS A 95 10.331 -1.007 -11.422 1.00 5.01 C ATOM 1510 CG LYS A 95 9.607 0.304 -11.134 1.00 11.21 C ATOM 1511 CD LYS A 95 10.377 1.506 -11.675 1.00 14.03 C ATOM 1512 CE LYS A 95 11.770 1.613 -11.061 1.00 64.31 C ATOM 1513 NZ LYS A 95 12.574 2.694 -11.686 1.00 33.12 N ATOM 0 H LYS A 95 7.671 -1.573 -11.474 1.00 64.13 H new ATOM 0 HA LYS A 95 10.171 -3.142 -11.210 1.00 23.12 H new ATOM 0 HB2 LYS A 95 11.314 -0.976 -10.953 1.00 5.01 H new ATOM 0 HB3 LYS A 95 10.493 -1.090 -12.497 1.00 5.01 H new ATOM 0 HG2 LYS A 95 8.614 0.277 -11.582 1.00 11.21 H new ATOM 0 HG3 LYS A 95 9.469 0.415 -10.058 1.00 11.21 H new ATOM 0 HD2 LYS A 95 10.463 1.424 -12.758 1.00 14.03 H new ATOM 0 HD3 LYS A 95 9.818 2.418 -11.468 1.00 14.03 H new ATOM 0 HE2 LYS A 95 11.681 1.801 -9.991 1.00 64.31 H new ATOM 0 HE3 LYS A 95 12.290 0.662 -11.176 1.00 64.31 H new ATOM 0 HZ1 LYS A 95 13.512 2.731 -11.239 1.00 33.12 H new ATOM 0 HZ2 LYS A 95 12.682 2.503 -12.703 1.00 33.12 H new ATOM 0 HZ3 LYS A 95 12.091 3.606 -11.555 1.00 33.12 H new ATOM 1527 N TYR A 96 8.428 -1.583 -8.880 1.00 1.34 N ATOM 1528 CA TYR A 96 8.219 -1.487 -7.424 1.00 30.51 C ATOM 1529 C TYR A 96 7.421 -2.673 -6.862 1.00 62.24 C ATOM 1530 O TYR A 96 6.946 -2.633 -5.727 1.00 72.35 O ATOM 1531 CB TYR A 96 7.536 -0.160 -7.075 1.00 4.42 C ATOM 1532 CG TYR A 96 8.489 1.016 -7.122 1.00 42.40 C ATOM 1533 CD1 TYR A 96 9.376 1.244 -6.076 1.00 11.45 C ATOM 1534 CD2 TYR A 96 8.525 1.877 -8.213 1.00 4.53 C ATOM 1535 CE1 TYR A 96 10.268 2.292 -6.115 1.00 4.21 C ATOM 1536 CE2 TYR A 96 9.414 2.933 -8.256 1.00 31.33 C ATOM 1537 CZ TYR A 96 10.285 3.134 -7.206 1.00 40.20 C ATOM 1538 OH TYR A 96 11.185 4.171 -7.249 1.00 55.32 O ATOM 0 H TYR A 96 7.723 -1.102 -9.439 1.00 1.34 H new ATOM 0 HA TYR A 96 9.202 -1.521 -6.954 1.00 30.51 H new ATOM 0 HB2 TYR A 96 6.714 0.015 -7.770 1.00 4.42 H new ATOM 0 HB3 TYR A 96 7.101 -0.231 -6.078 1.00 4.42 H new ATOM 0 HD1 TYR A 96 9.365 0.588 -5.218 1.00 11.45 H new ATOM 0 HD2 TYR A 96 7.848 1.718 -9.039 1.00 4.53 H new ATOM 0 HE1 TYR A 96 10.951 2.454 -5.294 1.00 4.21 H new ATOM 0 HE2 TYR A 96 9.427 3.598 -9.107 1.00 31.33 H new ATOM 0 HH TYR A 96 11.658 4.158 -8.107 1.00 55.32 H new ATOM 1548 N LYS A 97 7.292 -3.725 -7.660 1.00 41.04 N ATOM 1549 CA LYS A 97 6.646 -4.968 -7.228 1.00 30.35 C ATOM 1550 C LYS A 97 7.402 -5.647 -6.072 1.00 72.53 C ATOM 1551 O LYS A 97 8.631 -5.766 -6.098 1.00 14.45 O ATOM 1552 CB LYS A 97 6.563 -5.947 -8.414 1.00 73.22 C ATOM 1553 CG LYS A 97 7.902 -6.153 -9.127 1.00 42.32 C ATOM 1554 CD LYS A 97 7.834 -7.229 -10.212 1.00 50.33 C ATOM 1555 CE LYS A 97 7.620 -8.620 -9.625 1.00 53.21 C ATOM 1556 NZ LYS A 97 7.711 -9.680 -10.661 1.00 12.43 N ATOM 0 H LYS A 97 7.629 -3.746 -8.622 1.00 41.04 H new ATOM 0 HA LYS A 97 5.649 -4.708 -6.872 1.00 30.35 H new ATOM 0 HB2 LYS A 97 6.199 -6.910 -8.056 1.00 73.22 H new ATOM 0 HB3 LYS A 97 5.831 -5.576 -9.131 1.00 73.22 H new ATOM 0 HG2 LYS A 97 8.219 -5.211 -9.575 1.00 42.32 H new ATOM 0 HG3 LYS A 97 8.660 -6.429 -8.394 1.00 42.32 H new ATOM 0 HD2 LYS A 97 7.022 -6.998 -10.901 1.00 50.33 H new ATOM 0 HD3 LYS A 97 8.757 -7.218 -10.792 1.00 50.33 H new ATOM 0 HE2 LYS A 97 8.364 -8.805 -8.850 1.00 53.21 H new ATOM 0 HE3 LYS A 97 6.642 -8.665 -9.145 1.00 53.21 H new ATOM 0 HZ1 LYS A 97 7.560 -10.610 -10.220 1.00 12.43 H new ATOM 0 HZ2 LYS A 97 6.984 -9.519 -11.387 1.00 12.43 H new ATOM 0 HZ3 LYS A 97 8.653 -9.655 -11.102 1.00 12.43 H new ATOM 1570 N TRP A 98 6.664 -6.077 -5.052 1.00 43.32 N ATOM 1571 CA TRP A 98 7.210 -6.988 -4.041 1.00 55.20 C ATOM 1572 C TRP A 98 6.520 -8.348 -4.111 1.00 71.11 C ATOM 1573 O TRP A 98 5.297 -8.432 -4.139 1.00 54.15 O ATOM 1574 CB TRP A 98 7.065 -6.442 -2.620 1.00 72.02 C ATOM 1575 CG TRP A 98 7.461 -7.463 -1.585 1.00 54.40 C ATOM 1576 CD1 TRP A 98 8.657 -8.118 -1.501 1.00 14.12 C ATOM 1577 CD2 TRP A 98 6.655 -7.971 -0.514 1.00 64.44 C ATOM 1578 NE1 TRP A 98 8.647 -8.985 -0.437 1.00 55.13 N ATOM 1579 CE2 TRP A 98 7.431 -8.912 0.185 1.00 14.52 C ATOM 1580 CE3 TRP A 98 5.356 -7.716 -0.075 1.00 33.22 C ATOM 1581 CZ2 TRP A 98 6.954 -9.595 1.301 1.00 30.20 C ATOM 1582 CZ3 TRP A 98 4.879 -8.397 1.031 1.00 41.22 C ATOM 1583 CH2 TRP A 98 5.677 -9.328 1.708 1.00 11.52 C ATOM 0 H TRP A 98 5.690 -5.813 -4.901 1.00 43.32 H new ATOM 0 HA TRP A 98 8.272 -7.089 -4.265 1.00 55.20 H new ATOM 0 HB2 TRP A 98 7.684 -5.552 -2.508 1.00 72.02 H new ATOM 0 HB3 TRP A 98 6.033 -6.136 -2.452 1.00 72.02 H new ATOM 0 HD1 TRP A 98 9.489 -7.974 -2.174 1.00 14.12 H new ATOM 0 HE1 TRP A 98 9.421 -9.587 -0.156 1.00 55.13 H new ATOM 0 HE3 TRP A 98 4.733 -6.999 -0.590 1.00 33.22 H new ATOM 0 HZ2 TRP A 98 7.571 -10.310 1.826 1.00 30.20 H new ATOM 0 HZ3 TRP A 98 3.874 -8.207 1.378 1.00 41.22 H new ATOM 0 HH2 TRP A 98 5.276 -9.844 2.567 1.00 11.52 H new ATOM 1594 N GLN A 99 7.316 -9.406 -4.122 1.00 53.02 N ATOM 1595 CA GLN A 99 6.796 -10.773 -4.148 1.00 42.21 C ATOM 1596 C GLN A 99 7.370 -11.600 -2.981 1.00 34.32 C ATOM 1597 O GLN A 99 8.583 -11.795 -2.890 1.00 51.14 O ATOM 1598 CB GLN A 99 7.144 -11.430 -5.485 1.00 13.25 C ATOM 1599 CG GLN A 99 6.412 -10.836 -6.693 1.00 22.15 C ATOM 1600 CD GLN A 99 4.891 -10.894 -6.572 1.00 52.41 C ATOM 1601 OE1 GLN A 99 4.259 -11.882 -6.931 1.00 54.21 O ATOM 1602 NE2 GLN A 99 4.286 -9.824 -6.092 1.00 23.23 N ATOM 0 H GLN A 99 8.334 -9.347 -4.113 1.00 53.02 H new ATOM 0 HA GLN A 99 5.712 -10.737 -4.036 1.00 42.21 H new ATOM 0 HB2 GLN A 99 8.218 -11.345 -5.649 1.00 13.25 H new ATOM 0 HB3 GLN A 99 6.914 -12.494 -5.424 1.00 13.25 H new ATOM 0 HG2 GLN A 99 6.719 -9.798 -6.820 1.00 22.15 H new ATOM 0 HG3 GLN A 99 6.718 -11.371 -7.592 1.00 22.15 H new ATOM 0 HE21 GLN A 99 4.835 -9.015 -5.800 1.00 23.23 H new ATOM 0 HE22 GLN A 99 3.269 -9.806 -6.013 1.00 23.23 H new ATOM 1611 N PRO A 100 6.506 -12.098 -2.072 1.00 75.21 N ATOM 1612 CA PRO A 100 6.934 -12.856 -0.874 1.00 53.33 C ATOM 1613 C PRO A 100 7.444 -14.282 -1.174 1.00 1.34 C ATOM 1614 O PRO A 100 7.241 -15.197 -0.374 1.00 63.35 O ATOM 1615 CB PRO A 100 5.654 -12.923 -0.011 1.00 1.34 C ATOM 1616 CG PRO A 100 4.683 -11.983 -0.652 1.00 54.52 C ATOM 1617 CD PRO A 100 5.046 -11.939 -2.108 1.00 71.03 C ATOM 0 HA PRO A 100 7.782 -12.366 -0.395 1.00 53.33 H new ATOM 0 HB2 PRO A 100 5.255 -13.937 0.019 1.00 1.34 H new ATOM 0 HB3 PRO A 100 5.860 -12.631 1.019 1.00 1.34 H new ATOM 0 HG2 PRO A 100 3.658 -12.329 -0.516 1.00 54.52 H new ATOM 0 HG3 PRO A 100 4.747 -10.991 -0.204 1.00 54.52 H new ATOM 0 HD2 PRO A 100 4.564 -12.738 -2.672 1.00 71.03 H new ATOM 0 HD3 PRO A 100 4.751 -10.998 -2.572 1.00 71.03 H new