USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1374 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 143 GLN : amide:sc= 0 K(o=-2.2,f=-2.7) USER MOD Set 1.2: A 146 THR OG1 : rot -57:sc= -2.16! USER MOD Set 2.1: A 94 LYS NZ :NH3+ 141:sc= 1.22 (180deg=0.457) USER MOD Set 2.2: A 111 ASN : amide:sc= 0.667 K(o=1.9,f=-9!) USER MOD Set 3.1: A 72 MET CE :methyl 173:sc= -0.0336 (180deg=0) USER MOD Set 3.2: A 76 MET CE :methyl 180:sc= -0.05 (180deg=-0.0127) USER MOD Set 3.3: B 520 LYS NZ :NH3+ -115:sc= 0 (180deg=0) USER MOD Set 4.1: A 51 MET CE :methyl 171:sc= -1.67 (180deg=-2.15) USER MOD Set 4.2: B 529 MET CE :methyl 177:sc= -0.0115 (180deg=-0.0543) USER MOD Set 5.1: A 42 ASN : amide:sc= 0 X(o=-0.98,f=-0.98) USER MOD Set 5.2: A 44 THR OG1 : rot -160:sc= -0.98 USER MOD Set 6.1: A 21 LYS NZ :NH3+ -120:sc= -0.322 (180deg=-4.67!) USER MOD Set 6.2: A 34 THR OG1 : rot 85:sc= 2.05 USER MOD Set 7.1: A 1 ALA N :NH3+ -145:sc= -2.55 (180deg=-0.52) USER MOD Set 7.2: A 13 LYS NZ :NH3+ -167:sc= -3.99! (180deg=-1.67) USER MOD Set 8.1: A 5 THR OG1 : rot -155:sc= 1.29 USER MOD Set 8.2: A 8 GLN : amide:sc= 1.01 K(o=2.3,f=-3.1!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.954 USER MOD Single : A 28 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 29 THR OG1 : rot -130:sc= -3.38! USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.251 (180deg=-0.521) USER MOD Single : A 36 MET CE :methyl -126:sc= 0 (180deg=-0.773) USER MOD Single : A 38 SER OG : rot -10:sc= 0.651 USER MOD Single : A 41 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.017) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=0.83) USER MOD Single : A 60 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.011) USER MOD Single : A 62 THR OG1 : rot 171:sc= 0.00755 USER MOD Single : A 70 THR OG1 : rot -18:sc= -1.44! USER MOD Single : A 71 MET CE :methyl -167:sc= 0 (180deg=-0.0257) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -1.35 (180deg=-1.62) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -22:sc= 0.159 USER MOD Single : A 97 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.15) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 150:sc= -1.36 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 176:sc= -0.496 (180deg=-0.572) USER MOD Single : A 110 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.67! C(o=-1.7!,f=-3.7!) USER MOD Single : A 137 ASN : amide:sc= -4.84! C(o=-4.8!,f=-12!) USER MOD Single : A 138 TYR OH : rot 130:sc= 0 USER MOD Single : A 144 MET CE :methyl -177:sc=-0.00616 (180deg=-0.00731) USER MOD Single : A 145 MET CE :methyl 171:sc= -1.15 (180deg=-1.32) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ -139:sc= 0.0227 (180deg=0) USER MOD Single : B 526 CYS SG : rot 58:sc= -2.26! USER MOD Single : B 527 MET CE :methyl 164:sc= -2.52 (180deg=-4.02!) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.431 -11.864 8.467 1.00 7.80 N ATOM 2 CA ALA A 1 -8.607 -12.948 9.469 1.00 7.39 C ATOM 3 C ALA A 1 -7.329 -13.773 9.629 1.00 6.58 C ATOM 4 O ALA A 1 -6.951 -14.124 10.751 1.00 6.72 O ATOM 5 CB ALA A 1 -9.773 -13.845 9.077 1.00 7.99 C ATOM 0 H1 ALA A 1 -8.974 -11.027 8.761 1.00 7.80 H new ATOM 0 H2 ALA A 1 -7.423 -11.616 8.398 1.00 7.80 H new ATOM 0 H3 ALA A 1 -8.772 -12.189 7.540 1.00 7.80 H new ATOM 0 HA ALA A 1 -8.826 -12.484 10.431 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -9.890 -14.634 9.819 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -10.687 -13.253 9.029 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -9.577 -14.291 8.102 1.00 7.99 H new ATOM 13 N ASP A 2 -6.673 -14.078 8.502 1.00 6.04 N ATOM 14 CA ASP A 2 -5.435 -14.863 8.505 1.00 5.55 C ATOM 15 C ASP A 2 -4.206 -13.956 8.386 1.00 4.87 C ATOM 16 O ASP A 2 -4.031 -13.259 7.381 1.00 5.13 O ATOM 17 CB ASP A 2 -5.449 -15.922 7.381 1.00 5.87 C ATOM 18 CG ASP A 2 -5.771 -15.354 6.002 1.00 6.52 C ATOM 19 OD1 ASP A 2 -6.966 -15.308 5.643 1.00 7.04 O ATOM 20 OD2 ASP A 2 -4.825 -14.959 5.288 1.00 6.78 O ATOM 0 H ASP A 2 -6.982 -13.791 7.573 1.00 6.04 H new ATOM 0 HA ASP A 2 -5.374 -15.385 9.460 1.00 5.55 H new ATOM 0 HB2 ASP A 2 -4.476 -16.411 7.344 1.00 5.87 H new ATOM 0 HB3 ASP A 2 -6.182 -16.690 7.627 1.00 5.87 H new ATOM 25 N GLN A 3 -3.368 -13.975 9.428 1.00 4.34 N ATOM 26 CA GLN A 3 -2.148 -13.167 9.469 1.00 3.83 C ATOM 27 C GLN A 3 -0.957 -14.029 9.898 1.00 2.55 C ATOM 28 O GLN A 3 -0.933 -14.550 11.020 1.00 2.57 O ATOM 29 CB GLN A 3 -2.333 -11.985 10.437 1.00 4.64 C ATOM 30 CG GLN A 3 -1.466 -10.772 10.120 1.00 5.89 C ATOM 31 CD GLN A 3 -1.521 -9.716 11.207 1.00 6.86 C ATOM 32 OE1 GLN A 3 -0.727 -9.734 12.147 1.00 7.41 O ATOM 33 NE2 GLN A 3 -2.464 -8.789 11.083 1.00 7.35 N ATOM 0 H GLN A 3 -3.516 -14.547 10.260 1.00 4.34 H new ATOM 0 HA GLN A 3 -1.949 -12.775 8.472 1.00 3.83 H new ATOM 0 HB2 GLN A 3 -3.380 -11.682 10.425 1.00 4.64 H new ATOM 0 HB3 GLN A 3 -2.110 -12.322 11.449 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -0.434 -11.094 9.983 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -1.791 -10.334 9.176 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -3.101 -8.813 10.287 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -2.551 -8.053 11.784 1.00 7.35 H new ATOM 42 N LEU A 4 0.022 -14.186 8.996 1.00 2.09 N ATOM 43 CA LEU A 4 1.210 -14.985 9.292 1.00 1.43 C ATOM 44 C LEU A 4 2.387 -14.112 9.751 1.00 1.51 C ATOM 45 O LEU A 4 2.404 -13.668 10.903 1.00 1.86 O ATOM 46 CB LEU A 4 1.584 -15.884 8.098 1.00 2.32 C ATOM 47 CG LEU A 4 0.725 -17.143 7.927 1.00 2.86 C ATOM 48 CD1 LEU A 4 0.657 -17.543 6.462 1.00 3.65 C ATOM 49 CD2 LEU A 4 1.278 -18.293 8.762 1.00 3.75 C ATOM 0 H LEU A 4 0.012 -13.772 8.064 1.00 2.09 H new ATOM 0 HA LEU A 4 0.968 -15.640 10.129 1.00 1.43 H new ATOM 0 HB2 LEU A 4 1.517 -15.293 7.185 1.00 2.32 H new ATOM 0 HB3 LEU A 4 2.625 -16.187 8.206 1.00 2.32 H new ATOM 0 HG LEU A 4 -0.283 -16.918 8.277 1.00 2.86 H new ATOM 0 HD11 LEU A 4 0.044 -18.438 6.357 1.00 3.65 H new ATOM 0 HD12 LEU A 4 0.216 -16.731 5.883 1.00 3.65 H new ATOM 0 HD13 LEU A 4 1.662 -17.747 6.093 1.00 3.65 H new ATOM 0 HD21 LEU A 4 0.653 -19.175 8.625 1.00 3.75 H new ATOM 0 HD22 LEU A 4 2.296 -18.517 8.444 1.00 3.75 H new ATOM 0 HD23 LEU A 4 1.281 -18.010 9.815 1.00 3.75 H new ATOM 61 N THR A 5 3.367 -13.864 8.862 1.00 1.73 N ATOM 62 CA THR A 5 4.537 -13.026 9.179 1.00 2.05 C ATOM 63 C THR A 5 4.098 -11.591 9.522 1.00 1.66 C ATOM 64 O THR A 5 2.902 -11.292 9.525 1.00 1.15 O ATOM 65 CB THR A 5 5.548 -12.997 8.007 1.00 2.63 C ATOM 66 OG1 THR A 5 5.339 -14.118 7.137 1.00 3.14 O ATOM 67 CG2 THR A 5 6.981 -13.022 8.524 1.00 3.26 C ATOM 0 H THR A 5 3.370 -14.236 7.912 1.00 1.73 H new ATOM 0 HA THR A 5 5.029 -13.468 10.045 1.00 2.05 H new ATOM 0 HB THR A 5 5.388 -12.072 7.452 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.173 -14.328 6.667 1.00 3.14 H new ATOM 0 HG21 THR A 5 7.672 -13.001 7.681 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.154 -12.152 9.157 1.00 3.26 H new ATOM 0 HG23 THR A 5 7.143 -13.931 9.103 1.00 3.26 H new ATOM 75 N GLU A 6 5.045 -10.711 9.850 1.00 2.22 N ATOM 76 CA GLU A 6 4.691 -9.347 10.203 1.00 2.15 C ATOM 77 C GLU A 6 4.480 -8.430 8.989 1.00 1.73 C ATOM 78 O GLU A 6 3.397 -7.859 8.828 1.00 1.38 O ATOM 79 CB GLU A 6 5.746 -8.752 11.141 1.00 2.80 C ATOM 80 CG GLU A 6 5.671 -9.277 12.568 1.00 3.25 C ATOM 81 CD GLU A 6 6.733 -8.675 13.467 1.00 3.82 C ATOM 82 OE1 GLU A 6 6.461 -7.624 14.085 1.00 4.39 O ATOM 83 OE2 GLU A 6 7.836 -9.254 13.554 1.00 4.09 O ATOM 0 H GLU A 6 6.043 -10.918 9.877 1.00 2.22 H new ATOM 0 HA GLU A 6 3.729 -9.403 10.713 1.00 2.15 H new ATOM 0 HB2 GLU A 6 6.736 -8.964 10.738 1.00 2.80 H new ATOM 0 HB3 GLU A 6 5.633 -7.668 11.157 1.00 2.80 H new ATOM 0 HG2 GLU A 6 4.686 -9.060 12.980 1.00 3.25 H new ATOM 0 HG3 GLU A 6 5.780 -10.361 12.559 1.00 3.25 H new ATOM 90 N GLU A 7 5.511 -8.293 8.144 1.00 1.90 N ATOM 91 CA GLU A 7 5.441 -7.435 6.965 1.00 1.65 C ATOM 92 C GLU A 7 4.933 -8.148 5.722 1.00 1.44 C ATOM 93 O GLU A 7 4.269 -7.528 4.886 1.00 1.23 O ATOM 94 CB GLU A 7 6.798 -6.782 6.681 1.00 2.06 C ATOM 95 CG GLU A 7 7.197 -5.722 7.697 1.00 2.28 C ATOM 96 CD GLU A 7 8.544 -5.097 7.390 1.00 2.65 C ATOM 97 OE1 GLU A 7 8.576 -4.082 6.663 1.00 3.11 O ATOM 98 OE2 GLU A 7 9.567 -5.623 7.877 1.00 2.91 O ATOM 0 H GLU A 7 6.405 -8.770 8.261 1.00 1.90 H new ATOM 0 HA GLU A 7 4.708 -6.664 7.204 1.00 1.65 H new ATOM 0 HB2 GLU A 7 7.565 -7.556 6.658 1.00 2.06 H new ATOM 0 HB3 GLU A 7 6.772 -6.330 5.690 1.00 2.06 H new ATOM 0 HG2 GLU A 7 6.436 -4.942 7.721 1.00 2.28 H new ATOM 0 HG3 GLU A 7 7.226 -6.169 8.691 1.00 2.28 H new ATOM 105 N GLN A 8 5.255 -9.442 5.593 1.00 1.67 N ATOM 106 CA GLN A 8 4.831 -10.243 4.432 1.00 1.66 C ATOM 107 C GLN A 8 3.309 -10.210 4.272 1.00 1.23 C ATOM 108 O GLN A 8 2.799 -10.179 3.151 1.00 1.28 O ATOM 109 CB GLN A 8 5.320 -11.695 4.553 1.00 1.98 C ATOM 110 CG GLN A 8 6.816 -11.827 4.825 1.00 2.48 C ATOM 111 CD GLN A 8 7.342 -13.224 4.559 1.00 2.88 C ATOM 112 OE1 GLN A 8 7.384 -14.067 5.454 1.00 3.21 O ATOM 113 NE2 GLN A 8 7.749 -13.477 3.320 1.00 3.41 N ATOM 0 H GLN A 8 5.808 -9.958 6.277 1.00 1.67 H new ATOM 0 HA GLN A 8 5.283 -9.801 3.544 1.00 1.66 H new ATOM 0 HB2 GLN A 8 4.771 -12.187 5.356 1.00 1.98 H new ATOM 0 HB3 GLN A 8 5.081 -12.226 3.632 1.00 1.98 H new ATOM 0 HG2 GLN A 8 7.358 -11.115 4.202 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.017 -11.560 5.863 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.697 -12.749 2.607 1.00 3.41 H new ATOM 0 HE22 GLN A 8 8.114 -14.399 3.081 1.00 3.41 H new ATOM 122 N ILE A 9 2.604 -10.202 5.413 1.00 0.97 N ATOM 123 CA ILE A 9 1.133 -10.147 5.440 1.00 0.68 C ATOM 124 C ILE A 9 0.656 -8.708 5.408 1.00 0.57 C ATOM 125 O ILE A 9 -0.414 -8.420 4.881 1.00 0.67 O ATOM 126 CB ILE A 9 0.505 -10.861 6.687 1.00 0.76 C ATOM 127 CG1 ILE A 9 1.441 -11.959 7.248 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.884 -11.434 6.362 1.00 1.14 C ATOM 129 CD1 ILE A 9 1.975 -12.938 6.218 1.00 2.46 C ATOM 0 H ILE A 9 3.033 -10.233 6.338 1.00 0.97 H new ATOM 0 HA ILE A 9 0.799 -10.683 4.552 1.00 0.68 H new ATOM 0 HB ILE A 9 0.383 -10.106 7.463 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.286 -11.478 7.741 1.00 1.22 H new ATOM 0 HG13 ILE A 9 0.902 -12.518 8.013 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -1.292 -11.922 7.247 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.548 -10.626 6.055 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -0.798 -12.160 5.554 1.00 1.14 H new ATOM 0 HD11 ILE A 9 2.620 -13.667 6.709 1.00 2.46 H new ATOM 0 HD12 ILE A 9 1.142 -13.454 5.740 1.00 2.46 H new ATOM 0 HD13 ILE A 9 2.547 -12.397 5.464 1.00 2.46 H new ATOM 141 N ALA A 10 1.483 -7.810 5.959 1.00 0.59 N ATOM 142 CA ALA A 10 1.172 -6.366 6.029 1.00 0.64 C ATOM 143 C ALA A 10 0.599 -5.785 4.743 1.00 0.58 C ATOM 144 O ALA A 10 -0.266 -4.908 4.797 1.00 0.70 O ATOM 145 CB ALA A 10 2.417 -5.567 6.328 1.00 0.80 C ATOM 0 H ALA A 10 2.384 -8.057 6.369 1.00 0.59 H new ATOM 0 HA ALA A 10 0.423 -6.291 6.817 1.00 0.64 H new ATOM 0 HB1 ALA A 10 2.167 -4.507 6.375 1.00 0.80 H new ATOM 0 HB2 ALA A 10 2.832 -5.885 7.284 1.00 0.80 H new ATOM 0 HB3 ALA A 10 3.153 -5.731 5.541 1.00 0.80 H new ATOM 151 N GLU A 11 1.069 -6.286 3.596 1.00 0.50 N ATOM 152 CA GLU A 11 0.650 -5.733 2.326 1.00 0.51 C ATOM 153 C GLU A 11 -0.601 -6.429 1.800 1.00 0.49 C ATOM 154 O GLU A 11 -1.643 -5.794 1.671 1.00 0.50 O ATOM 155 CB GLU A 11 1.787 -5.776 1.279 1.00 0.59 C ATOM 156 CG GLU A 11 1.479 -5.032 -0.037 1.00 0.64 C ATOM 157 CD GLU A 11 0.704 -5.874 -1.042 1.00 0.88 C ATOM 158 OE1 GLU A 11 1.179 -6.972 -1.401 1.00 1.48 O ATOM 159 OE2 GLU A 11 -0.383 -5.430 -1.469 1.00 1.48 O ATOM 0 H GLU A 11 1.729 -7.061 3.531 1.00 0.50 H new ATOM 0 HA GLU A 11 0.403 -4.686 2.501 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.686 -5.347 1.721 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.011 -6.817 1.048 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.907 -4.132 0.189 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.416 -4.709 -0.491 1.00 0.64 H new ATOM 166 N PHE A 12 -0.496 -7.747 1.526 1.00 0.52 N ATOM 167 CA PHE A 12 -1.619 -8.499 0.966 1.00 0.53 C ATOM 168 C PHE A 12 -2.810 -8.550 1.916 1.00 0.49 C ATOM 169 O PHE A 12 -3.946 -8.604 1.450 1.00 0.54 O ATOM 170 CB PHE A 12 -1.200 -9.899 0.456 1.00 0.63 C ATOM 171 CG PHE A 12 -0.923 -10.957 1.498 1.00 1.22 C ATOM 172 CD1 PHE A 12 0.371 -11.228 1.901 1.00 2.05 C ATOM 173 CD2 PHE A 12 -1.960 -11.701 2.042 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.630 -12.219 2.829 1.00 3.03 C ATOM 175 CE2 PHE A 12 -1.708 -12.689 2.974 1.00 3.14 C ATOM 176 CZ PHE A 12 -0.411 -12.949 3.366 1.00 3.44 C ATOM 0 H PHE A 12 0.347 -8.299 1.684 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.953 -7.948 0.087 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.987 -10.269 -0.201 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -0.304 -9.783 -0.154 1.00 0.63 H new ATOM 0 HD1 PHE A 12 1.189 -10.659 1.486 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -2.976 -11.505 1.733 1.00 2.14 H new ATOM 0 HE1 PHE A 12 1.646 -12.422 3.134 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -2.525 -13.257 3.395 1.00 3.14 H new ATOM 0 HZ PHE A 12 -0.211 -13.723 4.092 1.00 3.44 H new ATOM 186 N LYS A 13 -2.560 -8.542 3.243 1.00 0.47 N ATOM 187 CA LYS A 13 -3.658 -8.527 4.207 1.00 0.48 C ATOM 188 C LYS A 13 -4.517 -7.303 4.076 1.00 0.48 C ATOM 189 O LYS A 13 -5.742 -7.385 3.987 1.00 0.52 O ATOM 190 CB LYS A 13 -3.169 -8.527 5.651 1.00 0.51 C ATOM 191 CG LYS A 13 -4.237 -8.982 6.619 1.00 0.57 C ATOM 192 CD LYS A 13 -4.604 -10.428 6.340 1.00 0.60 C ATOM 193 CE LYS A 13 -6.069 -10.710 6.633 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.429 -12.127 6.351 1.00 1.21 N ATOM 0 H LYS A 13 -1.627 -8.546 3.655 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.221 -9.433 3.982 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.301 -9.180 5.738 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -2.841 -7.523 5.921 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -3.879 -8.880 7.643 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -5.119 -8.349 6.525 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.391 -10.661 5.297 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.980 -11.084 6.947 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.280 -10.483 7.678 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.693 -10.050 6.031 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.464 -12.228 6.349 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.052 -12.403 5.422 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.022 -12.741 7.085 1.00 1.21 H new ATOM 208 N GLU A 14 -3.857 -6.172 4.125 1.00 0.47 N ATOM 209 CA GLU A 14 -4.534 -4.925 4.064 1.00 0.49 C ATOM 210 C GLU A 14 -5.034 -4.666 2.656 1.00 0.49 C ATOM 211 O GLU A 14 -6.092 -4.068 2.452 1.00 0.54 O ATOM 212 CB GLU A 14 -3.597 -3.817 4.521 1.00 0.50 C ATOM 213 CG GLU A 14 -3.529 -3.618 6.027 1.00 0.52 C ATOM 214 CD GLU A 14 -4.623 -2.706 6.553 1.00 1.25 C ATOM 215 OE1 GLU A 14 -5.707 -3.219 6.900 1.00 1.99 O ATOM 216 OE2 GLU A 14 -4.394 -1.480 6.617 1.00 1.95 O ATOM 0 H GLU A 14 -2.843 -6.102 4.208 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.399 -4.949 4.727 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.594 -4.033 4.152 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -3.912 -2.881 4.059 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -3.603 -4.587 6.520 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -2.557 -3.200 6.290 1.00 0.52 H new ATOM 223 N ALA A 15 -4.239 -5.145 1.695 1.00 0.46 N ATOM 224 CA ALA A 15 -4.564 -5.051 0.281 1.00 0.48 C ATOM 225 C ALA A 15 -5.546 -6.142 -0.114 1.00 0.50 C ATOM 226 O ALA A 15 -5.897 -6.320 -1.287 1.00 0.55 O ATOM 227 CB ALA A 15 -3.313 -5.097 -0.584 1.00 0.50 C ATOM 0 H ALA A 15 -3.350 -5.609 1.883 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.039 -4.085 0.110 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.594 -5.024 -1.635 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.660 -4.263 -0.325 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.787 -6.036 -0.413 1.00 0.50 H new ATOM 233 N PHE A 16 -5.984 -6.843 0.917 1.00 0.49 N ATOM 234 CA PHE A 16 -6.962 -7.913 0.801 1.00 0.53 C ATOM 235 C PHE A 16 -8.351 -7.288 0.848 1.00 0.57 C ATOM 236 O PHE A 16 -9.157 -7.519 -0.046 1.00 0.60 O ATOM 237 CB PHE A 16 -6.802 -8.973 1.916 1.00 0.55 C ATOM 238 CG PHE A 16 -7.349 -10.327 1.551 1.00 0.56 C ATOM 239 CD1 PHE A 16 -6.545 -11.270 0.931 1.00 1.27 C ATOM 240 CD2 PHE A 16 -8.667 -10.653 1.828 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.045 -12.514 0.595 1.00 1.31 C ATOM 242 CE2 PHE A 16 -9.173 -11.895 1.494 1.00 1.27 C ATOM 243 CZ PHE A 16 -8.361 -12.827 0.877 1.00 0.62 C ATOM 0 H PHE A 16 -5.666 -6.683 1.873 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.808 -8.436 -0.143 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.744 -9.073 2.160 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.305 -8.619 2.816 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -5.516 -11.030 0.708 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -9.306 -9.928 2.310 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -6.408 -13.241 0.113 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.202 -12.137 1.715 1.00 1.27 H new ATOM 0 HZ PHE A 16 -8.754 -13.798 0.616 1.00 0.62 H new ATOM 253 N SER A 17 -8.610 -6.469 1.889 1.00 0.61 N ATOM 254 CA SER A 17 -9.912 -5.803 2.027 1.00 0.67 C ATOM 255 C SER A 17 -9.974 -4.475 1.254 1.00 0.74 C ATOM 256 O SER A 17 -11.060 -3.991 0.926 1.00 0.78 O ATOM 257 CB SER A 17 -10.252 -5.577 3.501 1.00 0.74 C ATOM 258 OG SER A 17 -10.313 -6.806 4.204 1.00 1.41 O ATOM 0 H SER A 17 -7.944 -6.258 2.632 1.00 0.61 H new ATOM 0 HA SER A 17 -10.656 -6.468 1.589 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.501 -4.931 3.956 1.00 0.74 H new ATOM 0 HB3 SER A 17 -11.208 -5.060 3.582 1.00 0.74 H new ATOM 0 HG SER A 17 -10.530 -6.635 5.144 1.00 1.41 H new ATOM 264 N LEU A 18 -8.794 -3.903 0.975 1.00 0.79 N ATOM 265 CA LEU A 18 -8.658 -2.630 0.230 1.00 0.91 C ATOM 266 C LEU A 18 -8.963 -2.857 -1.266 1.00 0.81 C ATOM 267 O LEU A 18 -9.191 -1.912 -2.025 1.00 0.79 O ATOM 268 CB LEU A 18 -7.234 -2.030 0.544 1.00 1.26 C ATOM 269 CG LEU A 18 -6.279 -1.486 -0.574 1.00 0.69 C ATOM 270 CD1 LEU A 18 -5.897 -2.534 -1.602 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.822 -0.251 -1.270 1.00 0.83 C ATOM 0 H LEU A 18 -7.901 -4.306 1.258 1.00 0.79 H new ATOM 0 HA LEU A 18 -9.388 -1.885 0.548 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.390 -1.211 1.246 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.681 -2.804 1.076 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.373 -1.202 -0.038 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.235 -2.090 -2.346 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.385 -3.359 -1.107 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.796 -2.907 -2.093 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.116 0.077 -2.033 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.778 -0.488 -1.738 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -6.963 0.546 -0.540 1.00 0.83 H new ATOM 283 N PHE A 19 -8.979 -4.137 -1.643 1.00 0.84 N ATOM 284 CA PHE A 19 -9.257 -4.583 -3.005 1.00 0.86 C ATOM 285 C PHE A 19 -10.591 -5.315 -3.068 1.00 0.75 C ATOM 286 O PHE A 19 -11.453 -4.996 -3.887 1.00 0.79 O ATOM 287 CB PHE A 19 -8.177 -5.573 -3.436 1.00 1.02 C ATOM 288 CG PHE A 19 -7.385 -5.172 -4.642 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.790 -5.554 -5.906 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.222 -4.436 -4.506 1.00 1.53 C ATOM 291 CE1 PHE A 19 -7.050 -5.207 -7.017 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.479 -4.081 -5.611 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.892 -4.468 -6.870 1.00 1.28 C ATOM 0 H PHE A 19 -8.796 -4.905 -0.997 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.280 -3.707 -3.653 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -7.490 -5.721 -2.603 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.648 -6.536 -3.635 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -8.695 -6.130 -6.026 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -5.892 -4.136 -3.522 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -7.375 -5.513 -8.000 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.576 -3.501 -5.492 1.00 1.64 H new ATOM 0 HZ PHE A 19 -5.311 -4.194 -7.738 1.00 1.28 H new ATOM 303 N ASP A 20 -10.742 -6.288 -2.159 1.00 0.68 N ATOM 304 CA ASP A 20 -11.903 -7.168 -2.097 1.00 0.63 C ATOM 305 C ASP A 20 -13.235 -6.443 -1.763 1.00 0.66 C ATOM 306 O ASP A 20 -13.534 -6.157 -0.598 1.00 0.74 O ATOM 307 CB ASP A 20 -11.576 -8.362 -1.137 1.00 0.60 C ATOM 308 CG ASP A 20 -12.482 -8.516 0.087 1.00 1.67 C ATOM 309 OD1 ASP A 20 -13.694 -8.755 -0.085 1.00 2.45 O ATOM 310 OD2 ASP A 20 -11.967 -8.396 1.218 1.00 2.31 O ATOM 0 H ASP A 20 -10.047 -6.484 -1.438 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.090 -7.560 -3.097 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.620 -9.286 -1.713 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.549 -8.251 -0.790 1.00 0.60 H new ATOM 315 N LYS A 21 -13.993 -6.089 -2.817 1.00 0.73 N ATOM 316 CA LYS A 21 -15.330 -5.491 -2.653 1.00 0.80 C ATOM 317 C LYS A 21 -16.323 -6.627 -2.540 1.00 0.82 C ATOM 318 O LYS A 21 -17.124 -6.707 -1.604 1.00 0.91 O ATOM 319 CB LYS A 21 -15.721 -4.610 -3.828 1.00 1.01 C ATOM 320 CG LYS A 21 -15.015 -3.284 -3.849 1.00 0.97 C ATOM 321 CD LYS A 21 -13.866 -3.340 -4.819 1.00 0.95 C ATOM 322 CE LYS A 21 -13.416 -1.947 -5.232 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.404 -1.294 -6.137 1.00 1.63 N ATOM 0 H LYS A 21 -13.703 -6.206 -3.788 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.323 -4.859 -1.765 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.507 -5.141 -4.756 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.797 -4.438 -3.800 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.710 -2.495 -4.137 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.651 -3.039 -2.851 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.031 -3.873 -4.365 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.162 -3.905 -5.703 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.275 -1.332 -4.343 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.450 -2.010 -5.733 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.949 -1.073 -7.046 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.205 -1.937 -6.298 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.748 -0.416 -5.699 1.00 1.63 H new ATOM 337 N ASP A 22 -16.229 -7.500 -3.543 1.00 0.85 N ATOM 338 CA ASP A 22 -17.029 -8.729 -3.621 1.00 0.97 C ATOM 339 C ASP A 22 -16.413 -9.755 -2.655 1.00 0.88 C ATOM 340 O ASP A 22 -17.107 -10.322 -1.807 1.00 1.02 O ATOM 341 CB ASP A 22 -17.057 -9.260 -5.064 1.00 1.12 C ATOM 342 CG ASP A 22 -18.185 -10.248 -5.310 1.00 1.36 C ATOM 343 OD1 ASP A 22 -17.965 -11.462 -5.113 1.00 2.09 O ATOM 344 OD2 ASP A 22 -19.287 -9.806 -5.698 1.00 1.48 O ATOM 0 H ASP A 22 -15.593 -7.376 -4.331 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.062 -8.533 -3.334 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.159 -8.421 -5.752 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.105 -9.741 -5.287 1.00 1.12 H new ATOM 349 N GLY A 23 -15.093 -9.973 -2.813 1.00 0.75 N ATOM 350 CA GLY A 23 -14.327 -10.843 -1.926 1.00 0.75 C ATOM 351 C GLY A 23 -14.738 -12.296 -1.854 1.00 0.85 C ATOM 352 O GLY A 23 -15.007 -12.809 -0.764 1.00 1.01 O ATOM 0 H GLY A 23 -14.539 -9.550 -3.557 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.282 -10.803 -2.234 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.378 -10.428 -0.919 1.00 0.75 H new ATOM 356 N ASP A 24 -14.790 -12.957 -3.008 1.00 0.82 N ATOM 357 CA ASP A 24 -15.084 -14.398 -3.082 1.00 0.95 C ATOM 358 C ASP A 24 -13.876 -15.161 -2.510 1.00 0.87 C ATOM 359 O ASP A 24 -13.826 -16.395 -2.455 1.00 0.96 O ATOM 360 CB ASP A 24 -15.242 -14.762 -4.540 1.00 1.00 C ATOM 361 CG ASP A 24 -15.967 -16.079 -4.767 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.290 -17.127 -4.826 1.00 1.96 O ATOM 363 OD2 ASP A 24 -17.211 -16.059 -4.885 1.00 1.93 O ATOM 0 H ASP A 24 -14.632 -12.519 -3.915 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.987 -14.646 -2.525 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -15.787 -13.966 -5.047 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.256 -14.817 -5.001 1.00 1.00 H new ATOM 368 N GLY A 25 -12.934 -14.337 -2.087 1.00 0.74 N ATOM 369 CA GLY A 25 -11.666 -14.746 -1.512 1.00 0.72 C ATOM 370 C GLY A 25 -10.535 -14.439 -2.464 1.00 0.65 C ATOM 371 O GLY A 25 -9.357 -14.613 -2.139 1.00 0.69 O ATOM 0 H GLY A 25 -13.036 -13.323 -2.137 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.504 -14.229 -0.566 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.686 -15.814 -1.293 1.00 0.72 H new ATOM 375 N THR A 26 -10.929 -13.980 -3.650 1.00 0.62 N ATOM 376 CA THR A 26 -10.017 -13.584 -4.702 1.00 0.58 C ATOM 377 C THR A 26 -10.190 -12.111 -5.065 1.00 0.57 C ATOM 378 O THR A 26 -11.047 -11.413 -4.514 1.00 0.64 O ATOM 379 CB THR A 26 -10.262 -14.411 -5.966 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.665 -14.441 -6.269 1.00 0.63 O ATOM 381 CG2 THR A 26 -9.755 -15.826 -5.784 1.00 0.64 C ATOM 0 H THR A 26 -11.911 -13.874 -3.904 1.00 0.62 H new ATOM 0 HA THR A 26 -9.008 -13.752 -4.326 1.00 0.58 H new ATOM 0 HB THR A 26 -9.721 -13.946 -6.790 1.00 0.60 H new ATOM 0 HG1 THR A 26 -11.884 -15.281 -6.723 1.00 0.63 H new ATOM 0 HG21 THR A 26 -9.938 -16.398 -6.694 1.00 0.64 H new ATOM 0 HG22 THR A 26 -8.685 -15.805 -5.578 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.276 -16.295 -4.949 1.00 0.64 H new ATOM 389 N ILE A 27 -9.357 -11.663 -6.001 1.00 0.54 N ATOM 390 CA ILE A 27 -9.374 -10.319 -6.498 1.00 0.53 C ATOM 391 C ILE A 27 -9.860 -10.278 -7.900 1.00 0.53 C ATOM 392 O ILE A 27 -9.281 -10.870 -8.797 1.00 0.51 O ATOM 393 CB ILE A 27 -8.001 -9.688 -6.376 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.921 -9.119 -4.990 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.712 -8.615 -7.433 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.813 -9.717 -4.155 1.00 0.54 C ATOM 0 H ILE A 27 -8.642 -12.248 -6.434 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.068 -9.738 -5.890 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.240 -10.448 -6.553 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.773 -8.041 -5.056 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.873 -9.280 -4.484 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.711 -8.212 -7.278 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.775 -9.057 -8.427 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.444 -7.812 -7.346 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.815 -9.259 -3.166 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.970 -10.791 -4.057 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.853 -9.533 -4.638 1.00 0.54 H new ATOM 408 N THR A 28 -10.892 -9.517 -8.068 1.00 0.59 N ATOM 409 CA THR A 28 -11.519 -9.373 -9.360 1.00 0.61 C ATOM 410 C THR A 28 -11.100 -8.089 -10.026 1.00 0.58 C ATOM 411 O THR A 28 -10.524 -7.182 -9.417 1.00 0.57 O ATOM 412 CB THR A 28 -13.050 -9.415 -9.244 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.454 -10.142 -8.075 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.707 -10.042 -10.474 1.00 0.73 C ATOM 0 H THR A 28 -11.330 -8.976 -7.323 1.00 0.59 H new ATOM 0 HA THR A 28 -11.190 -10.213 -9.972 1.00 0.61 H new ATOM 0 HB THR A 28 -13.382 -8.380 -9.168 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.260 -9.610 -7.275 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.789 -10.049 -10.345 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.451 -9.460 -11.359 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.349 -11.064 -10.596 1.00 0.73 H new ATOM 422 N THR A 29 -11.421 -8.061 -11.297 1.00 0.58 N ATOM 423 CA THR A 29 -11.125 -6.957 -12.185 1.00 0.57 C ATOM 424 C THR A 29 -11.853 -5.676 -11.745 1.00 0.62 C ATOM 425 O THR A 29 -11.219 -4.629 -11.628 1.00 0.64 O ATOM 426 CB THR A 29 -11.450 -7.312 -13.672 1.00 0.58 C ATOM 427 OG1 THR A 29 -12.709 -6.760 -14.080 1.00 0.66 O ATOM 428 CG2 THR A 29 -11.479 -8.813 -13.928 1.00 0.59 C ATOM 0 H THR A 29 -11.910 -8.828 -11.758 1.00 0.58 H new ATOM 0 HA THR A 29 -10.053 -6.767 -12.122 1.00 0.57 H new ATOM 0 HB THR A 29 -10.642 -6.874 -14.257 1.00 0.58 H new ATOM 0 HG1 THR A 29 -13.251 -7.459 -14.503 1.00 0.66 H new ATOM 0 HG21 THR A 29 -11.710 -8.999 -14.977 1.00 0.59 H new ATOM 0 HG22 THR A 29 -10.506 -9.242 -13.689 1.00 0.59 H new ATOM 0 HG23 THR A 29 -12.242 -9.274 -13.302 1.00 0.59 H new ATOM 436 N LYS A 30 -13.168 -5.774 -11.431 1.00 0.77 N ATOM 437 CA LYS A 30 -13.957 -4.595 -10.990 1.00 0.85 C ATOM 438 C LYS A 30 -13.288 -3.870 -9.805 1.00 0.84 C ATOM 439 O LYS A 30 -13.576 -2.702 -9.536 1.00 0.93 O ATOM 440 CB LYS A 30 -15.422 -4.973 -10.661 1.00 1.01 C ATOM 441 CG LYS A 30 -15.646 -5.740 -9.346 1.00 1.06 C ATOM 442 CD LYS A 30 -15.713 -7.249 -9.563 1.00 1.10 C ATOM 443 CE LYS A 30 -17.127 -7.719 -9.889 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.189 -9.191 -10.100 1.00 1.66 N ATOM 0 H LYS A 30 -13.699 -6.644 -11.473 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.980 -3.899 -11.829 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -16.013 -4.058 -10.629 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.813 -5.576 -11.480 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.838 -5.510 -8.651 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.572 -5.400 -8.882 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.042 -7.528 -10.375 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -15.359 -7.760 -8.668 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -17.798 -7.440 -9.077 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -17.481 -7.209 -10.785 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -18.181 -9.503 -10.083 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -16.767 -9.428 -11.021 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.662 -9.673 -9.344 1.00 1.66 H new ATOM 458 N GLU A 31 -12.399 -4.597 -9.113 1.00 0.82 N ATOM 459 CA GLU A 31 -11.637 -4.078 -7.988 1.00 0.87 C ATOM 460 C GLU A 31 -10.362 -3.405 -8.484 1.00 0.78 C ATOM 461 O GLU A 31 -10.087 -2.253 -8.150 1.00 0.81 O ATOM 462 CB GLU A 31 -11.252 -5.212 -7.013 1.00 1.02 C ATOM 463 CG GLU A 31 -12.420 -6.047 -6.488 1.00 1.82 C ATOM 464 CD GLU A 31 -11.991 -7.390 -5.918 1.00 2.69 C ATOM 465 OE1 GLU A 31 -12.627 -8.405 -6.264 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.029 -7.427 -5.120 1.00 3.27 O ATOM 0 H GLU A 31 -12.193 -5.572 -9.328 1.00 0.82 H new ATOM 0 HA GLU A 31 -12.263 -3.354 -7.467 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.548 -5.876 -7.514 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.728 -4.775 -6.163 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -12.943 -5.483 -5.716 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -13.131 -6.214 -7.297 1.00 1.82 H new ATOM 473 N LEU A 32 -9.617 -4.147 -9.320 1.00 0.68 N ATOM 474 CA LEU A 32 -8.343 -3.706 -9.902 1.00 0.60 C ATOM 475 C LEU A 32 -8.445 -2.372 -10.623 1.00 0.66 C ATOM 476 O LEU A 32 -7.460 -1.639 -10.673 1.00 0.72 O ATOM 477 CB LEU A 32 -7.818 -4.824 -10.827 1.00 0.54 C ATOM 478 CG LEU A 32 -6.453 -4.625 -11.528 1.00 0.46 C ATOM 479 CD1 LEU A 32 -5.391 -4.021 -10.613 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.963 -5.955 -12.060 1.00 0.44 C ATOM 0 H LEU A 32 -9.889 -5.085 -9.614 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.633 -3.530 -9.093 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.758 -5.739 -10.238 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.567 -4.992 -11.601 1.00 0.54 H new ATOM 0 HG LEU A 32 -6.612 -3.916 -12.341 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -4.458 -3.907 -11.164 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.726 -3.045 -10.261 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -5.230 -4.679 -9.759 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -5.001 -5.817 -12.554 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.849 -6.657 -11.234 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.685 -6.349 -12.775 1.00 0.44 H new ATOM 492 N GLY A 33 -9.624 -2.061 -11.162 1.00 0.71 N ATOM 493 CA GLY A 33 -9.817 -0.793 -11.838 1.00 0.80 C ATOM 494 C GLY A 33 -10.128 0.328 -10.882 1.00 0.83 C ATOM 495 O GLY A 33 -9.769 1.482 -11.125 1.00 0.91 O ATOM 0 H GLY A 33 -10.445 -2.665 -11.141 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -8.918 -0.546 -12.403 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -10.630 -0.889 -12.558 1.00 0.80 H new ATOM 499 N THR A 34 -10.802 -0.021 -9.794 1.00 0.80 N ATOM 500 CA THR A 34 -11.124 0.932 -8.730 1.00 0.84 C ATOM 501 C THR A 34 -9.835 1.346 -8.008 1.00 0.83 C ATOM 502 O THR A 34 -9.773 2.390 -7.354 1.00 0.88 O ATOM 503 CB THR A 34 -12.056 0.280 -7.703 1.00 0.87 C ATOM 504 OG1 THR A 34 -13.123 -0.396 -8.377 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.641 1.301 -6.724 1.00 0.96 C ATOM 0 H THR A 34 -11.141 -0.967 -9.621 1.00 0.80 H new ATOM 0 HA THR A 34 -11.610 1.800 -9.176 1.00 0.84 H new ATOM 0 HB THR A 34 -11.461 -0.430 -7.129 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.832 -1.298 -8.628 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.295 0.792 -6.015 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.832 1.792 -6.183 1.00 0.96 H new ATOM 0 HG23 THR A 34 -13.214 2.047 -7.275 1.00 0.96 H new ATOM 513 N VAL A 35 -8.820 0.489 -8.156 1.00 0.77 N ATOM 514 CA VAL A 35 -7.502 0.685 -7.529 1.00 0.79 C ATOM 515 C VAL A 35 -6.645 1.657 -8.348 1.00 0.80 C ATOM 516 O VAL A 35 -6.268 2.736 -7.887 1.00 0.86 O ATOM 517 CB VAL A 35 -6.779 -0.685 -7.431 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.403 -0.572 -6.770 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.639 -1.685 -6.676 1.00 0.79 C ATOM 0 H VAL A 35 -8.886 -0.362 -8.714 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.646 1.108 -6.535 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.623 -1.037 -8.451 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.939 -1.557 -6.725 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.773 0.100 -7.353 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.516 -0.178 -5.760 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -7.118 -2.641 -6.616 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.832 -1.313 -5.670 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.585 -1.820 -7.200 1.00 0.79 H new ATOM 529 N MET A 36 -6.358 1.218 -9.565 1.00 0.77 N ATOM 530 CA MET A 36 -5.555 1.953 -10.565 1.00 0.81 C ATOM 531 C MET A 36 -6.022 3.384 -10.798 1.00 0.80 C ATOM 532 O MET A 36 -5.220 4.317 -10.854 1.00 0.87 O ATOM 533 CB MET A 36 -5.681 1.257 -11.921 1.00 0.87 C ATOM 534 CG MET A 36 -7.034 0.650 -12.136 1.00 0.86 C ATOM 535 SD MET A 36 -7.205 -0.174 -13.733 1.00 1.10 S ATOM 536 CE MET A 36 -7.546 1.227 -14.801 1.00 1.82 C ATOM 0 H MET A 36 -6.682 0.313 -9.907 1.00 0.77 H new ATOM 0 HA MET A 36 -4.539 1.967 -10.169 1.00 0.81 H new ATOM 0 HB2 MET A 36 -5.480 1.977 -12.714 1.00 0.87 H new ATOM 0 HB3 MET A 36 -4.922 0.479 -11.997 1.00 0.87 H new ATOM 0 HG2 MET A 36 -7.232 -0.069 -11.341 1.00 0.86 H new ATOM 0 HG3 MET A 36 -7.791 1.430 -12.055 1.00 0.86 H new ATOM 0 HE1 MET A 36 -8.466 1.046 -15.357 1.00 1.82 H new ATOM 0 HE2 MET A 36 -7.659 2.127 -14.196 1.00 1.82 H new ATOM 0 HE3 MET A 36 -6.720 1.361 -15.500 1.00 1.82 H new ATOM 546 N ARG A 37 -7.337 3.526 -10.945 1.00 0.79 N ATOM 547 CA ARG A 37 -7.948 4.794 -11.285 1.00 0.85 C ATOM 548 C ARG A 37 -7.637 5.931 -10.308 1.00 0.94 C ATOM 549 O ARG A 37 -7.543 7.097 -10.704 1.00 1.01 O ATOM 550 CB ARG A 37 -9.460 4.639 -11.398 1.00 0.96 C ATOM 551 CG ARG A 37 -9.921 4.037 -12.716 1.00 1.49 C ATOM 552 CD ARG A 37 -11.440 3.968 -12.809 1.00 1.68 C ATOM 553 NE ARG A 37 -12.045 5.287 -13.040 1.00 2.53 N ATOM 554 CZ ARG A 37 -13.342 5.495 -13.309 1.00 2.93 C ATOM 555 NH1 ARG A 37 -14.201 4.480 -13.387 1.00 2.47 N ATOM 556 NH2 ARG A 37 -13.781 6.732 -13.500 1.00 3.94 N ATOM 0 H ARG A 37 -8.003 2.762 -10.830 1.00 0.79 H new ATOM 0 HA ARG A 37 -7.508 5.075 -12.242 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -9.813 4.011 -10.580 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -9.926 5.617 -11.274 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -9.533 4.633 -13.542 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -9.505 3.035 -12.823 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -11.722 3.295 -13.618 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -11.839 3.544 -11.888 1.00 1.68 H new ATOM 0 HE ARG A 37 -11.435 6.103 -12.992 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -13.876 3.524 -13.241 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -15.184 4.658 -13.593 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -13.133 7.518 -13.442 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -14.766 6.897 -13.705 1.00 3.94 H new ATOM 570 N SER A 38 -7.480 5.566 -9.042 1.00 1.00 N ATOM 571 CA SER A 38 -7.224 6.533 -7.964 1.00 1.16 C ATOM 572 C SER A 38 -5.756 6.958 -7.820 1.00 1.17 C ATOM 573 O SER A 38 -5.479 7.967 -7.161 1.00 1.33 O ATOM 574 CB SER A 38 -7.736 5.978 -6.632 1.00 1.37 C ATOM 575 OG SER A 38 -7.141 4.727 -6.331 1.00 1.82 O ATOM 0 H SER A 38 -7.525 4.597 -8.727 1.00 1.00 H new ATOM 0 HA SER A 38 -7.768 7.435 -8.244 1.00 1.16 H new ATOM 0 HB2 SER A 38 -7.520 6.687 -5.833 1.00 1.37 H new ATOM 0 HB3 SER A 38 -8.819 5.867 -6.675 1.00 1.37 H new ATOM 0 HG SER A 38 -6.653 4.400 -7.115 1.00 1.82 H new ATOM 581 N LEU A 39 -4.825 6.215 -8.422 1.00 1.11 N ATOM 582 CA LEU A 39 -3.415 6.542 -8.322 1.00 1.26 C ATOM 583 C LEU A 39 -2.903 7.374 -9.513 1.00 1.23 C ATOM 584 O LEU A 39 -1.767 7.859 -9.481 1.00 1.39 O ATOM 585 CB LEU A 39 -2.577 5.263 -8.111 1.00 1.42 C ATOM 586 CG LEU A 39 -2.869 4.058 -9.025 1.00 1.43 C ATOM 587 CD1 LEU A 39 -2.312 4.274 -10.419 1.00 1.18 C ATOM 588 CD2 LEU A 39 -2.297 2.786 -8.418 1.00 2.07 C ATOM 0 H LEU A 39 -5.029 5.386 -8.981 1.00 1.11 H new ATOM 0 HA LEU A 39 -3.295 7.180 -7.446 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -1.526 5.527 -8.229 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -2.710 4.941 -7.078 1.00 1.42 H new ATOM 0 HG LEU A 39 -3.951 3.955 -9.110 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -2.535 3.405 -11.039 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -2.768 5.161 -10.860 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -1.232 4.411 -10.362 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -2.510 1.942 -9.074 1.00 2.07 H new ATOM 0 HD22 LEU A 39 -1.218 2.892 -8.302 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -2.752 2.612 -7.443 1.00 2.07 H new ATOM 600 N GLY A 40 -3.739 7.540 -10.553 1.00 1.12 N ATOM 601 CA GLY A 40 -3.345 8.341 -11.712 1.00 1.21 C ATOM 602 C GLY A 40 -3.076 7.541 -12.973 1.00 1.24 C ATOM 603 O GLY A 40 -2.222 7.921 -13.780 1.00 1.48 O ATOM 0 H GLY A 40 -4.674 7.136 -10.610 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -4.131 9.067 -11.919 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.448 8.906 -11.458 1.00 1.21 H new ATOM 607 N GLN A 41 -3.800 6.443 -13.139 1.00 1.05 N ATOM 608 CA GLN A 41 -3.654 5.577 -14.316 1.00 1.08 C ATOM 609 C GLN A 41 -4.773 5.846 -15.331 1.00 1.03 C ATOM 610 O GLN A 41 -5.742 6.549 -15.024 1.00 1.04 O ATOM 611 CB GLN A 41 -3.665 4.103 -13.888 1.00 1.08 C ATOM 612 CG GLN A 41 -2.821 3.195 -14.772 1.00 1.30 C ATOM 613 CD GLN A 41 -2.715 1.786 -14.223 1.00 2.18 C ATOM 614 OE1 GLN A 41 -1.797 1.469 -13.467 1.00 2.69 O ATOM 615 NE2 GLN A 41 -3.661 0.933 -14.598 1.00 3.01 N ATOM 0 H GLN A 41 -4.502 6.123 -12.471 1.00 1.05 H new ATOM 0 HA GLN A 41 -2.700 5.800 -14.794 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -3.305 4.031 -12.862 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -4.694 3.742 -13.891 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -3.255 3.160 -15.771 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -1.822 3.618 -14.873 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -4.404 1.239 -15.227 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -3.645 -0.028 -14.257 1.00 3.01 H new ATOM 624 N ASN A 42 -4.630 5.278 -16.545 1.00 1.26 N ATOM 625 CA ASN A 42 -5.625 5.434 -17.617 1.00 1.34 C ATOM 626 C ASN A 42 -6.927 4.680 -17.252 1.00 0.89 C ATOM 627 O ASN A 42 -6.936 3.443 -17.241 1.00 1.50 O ATOM 628 CB ASN A 42 -5.051 4.914 -18.945 1.00 2.22 C ATOM 629 CG ASN A 42 -5.722 5.534 -20.159 1.00 3.03 C ATOM 630 OD1 ASN A 42 -5.288 6.572 -20.660 1.00 3.77 O ATOM 631 ND2 ASN A 42 -6.785 4.898 -20.637 1.00 3.37 N ATOM 0 H ASN A 42 -3.828 4.704 -16.806 1.00 1.26 H new ATOM 0 HA ASN A 42 -5.862 6.492 -17.731 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -3.982 5.123 -18.980 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -5.166 3.831 -18.986 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -7.277 5.267 -21.451 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -7.110 4.041 -20.190 1.00 3.37 H new ATOM 638 N PRO A 43 -8.047 5.406 -16.929 1.00 1.06 N ATOM 639 CA PRO A 43 -9.322 4.765 -16.541 1.00 1.66 C ATOM 640 C PRO A 43 -9.994 3.955 -17.662 1.00 1.29 C ATOM 641 O PRO A 43 -10.827 4.473 -18.418 1.00 1.26 O ATOM 642 CB PRO A 43 -10.217 5.946 -16.117 1.00 2.73 C ATOM 643 CG PRO A 43 -9.301 7.105 -15.934 1.00 2.76 C ATOM 644 CD PRO A 43 -8.164 6.884 -16.887 1.00 1.85 C ATOM 0 HA PRO A 43 -9.152 4.028 -15.756 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -10.969 6.159 -16.876 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -10.751 5.720 -15.194 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -9.812 8.044 -16.146 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -8.944 7.162 -14.906 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -8.376 7.300 -17.872 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -7.245 7.352 -16.534 1.00 1.85 H new ATOM 652 N THR A 44 -9.594 2.684 -17.772 1.00 1.26 N ATOM 653 CA THR A 44 -10.172 1.768 -18.737 1.00 1.00 C ATOM 654 C THR A 44 -10.997 0.700 -18.037 1.00 0.85 C ATOM 655 O THR A 44 -10.702 0.310 -16.903 1.00 0.89 O ATOM 656 CB THR A 44 -9.100 1.084 -19.596 1.00 1.17 C ATOM 657 OG1 THR A 44 -7.791 1.451 -19.151 1.00 1.51 O ATOM 658 CG2 THR A 44 -9.262 1.490 -21.032 1.00 1.33 C ATOM 0 H THR A 44 -8.863 2.271 -17.193 1.00 1.26 H new ATOM 0 HA THR A 44 -10.811 2.364 -19.389 1.00 1.00 H new ATOM 0 HB THR A 44 -9.220 0.005 -19.501 1.00 1.17 H new ATOM 0 HG1 THR A 44 -7.143 1.283 -19.867 1.00 1.51 H new ATOM 0 HG21 THR A 44 -8.498 1.001 -21.637 1.00 1.33 H new ATOM 0 HG22 THR A 44 -10.249 1.193 -21.385 1.00 1.33 H new ATOM 0 HG23 THR A 44 -9.156 2.571 -21.119 1.00 1.33 H new ATOM 666 N GLU A 45 -12.032 0.238 -18.735 1.00 0.76 N ATOM 667 CA GLU A 45 -12.949 -0.783 -18.222 1.00 0.72 C ATOM 668 C GLU A 45 -12.377 -2.171 -18.434 1.00 0.71 C ATOM 669 O GLU A 45 -12.710 -3.097 -17.709 1.00 0.70 O ATOM 670 CB GLU A 45 -14.327 -0.670 -18.889 1.00 0.79 C ATOM 671 CG GLU A 45 -15.130 0.556 -18.462 1.00 0.85 C ATOM 672 CD GLU A 45 -15.817 0.377 -17.119 1.00 1.41 C ATOM 673 OE1 GLU A 45 -15.199 0.712 -16.086 1.00 2.03 O ATOM 674 OE2 GLU A 45 -16.972 -0.098 -17.102 1.00 1.97 O ATOM 0 H GLU A 45 -12.261 0.561 -19.675 1.00 0.76 H new ATOM 0 HA GLU A 45 -13.071 -0.615 -17.152 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -14.194 -0.645 -19.971 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -14.904 -1.566 -18.660 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -14.466 1.419 -18.412 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -15.881 0.775 -19.222 1.00 0.85 H new ATOM 681 N ALA A 46 -11.579 -2.313 -19.490 1.00 0.75 N ATOM 682 CA ALA A 46 -10.922 -3.563 -19.798 1.00 0.78 C ATOM 683 C ALA A 46 -9.577 -3.664 -19.108 1.00 0.76 C ATOM 684 O ALA A 46 -9.058 -4.762 -18.966 1.00 0.77 O ATOM 685 CB ALA A 46 -10.784 -3.752 -21.301 1.00 0.90 C ATOM 0 H ALA A 46 -11.376 -1.562 -20.149 1.00 0.75 H new ATOM 0 HA ALA A 46 -11.549 -4.369 -19.416 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -10.286 -4.700 -21.504 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -11.773 -3.755 -21.760 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -10.194 -2.936 -21.718 1.00 0.90 H new ATOM 691 N GLU A 47 -9.012 -2.517 -18.671 1.00 0.77 N ATOM 692 CA GLU A 47 -7.701 -2.519 -17.972 1.00 0.81 C ATOM 693 C GLU A 47 -7.680 -3.478 -16.789 1.00 0.68 C ATOM 694 O GLU A 47 -6.665 -4.113 -16.527 1.00 0.62 O ATOM 695 CB GLU A 47 -7.321 -1.122 -17.477 1.00 0.95 C ATOM 696 CG GLU A 47 -6.050 -0.560 -18.103 1.00 1.30 C ATOM 697 CD GLU A 47 -4.785 -1.247 -17.617 1.00 1.55 C ATOM 698 OE1 GLU A 47 -4.561 -2.413 -18.005 1.00 2.16 O ATOM 699 OE2 GLU A 47 -4.022 -0.620 -16.855 1.00 2.13 O ATOM 0 H GLU A 47 -9.430 -1.594 -18.785 1.00 0.77 H new ATOM 0 HA GLU A 47 -6.973 -2.853 -18.711 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -8.146 -0.440 -17.682 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -7.196 -1.154 -16.395 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -6.114 -0.657 -19.187 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -5.985 0.505 -17.881 1.00 1.30 H new ATOM 706 N LEU A 48 -8.805 -3.577 -16.089 1.00 0.66 N ATOM 707 CA LEU A 48 -8.942 -4.474 -14.951 1.00 0.59 C ATOM 708 C LEU A 48 -9.130 -5.925 -15.418 1.00 0.55 C ATOM 709 O LEU A 48 -8.561 -6.839 -14.821 1.00 0.56 O ATOM 710 CB LEU A 48 -10.070 -3.990 -14.022 1.00 0.61 C ATOM 711 CG LEU A 48 -11.251 -3.254 -14.673 1.00 0.76 C ATOM 712 CD1 LEU A 48 -12.090 -4.202 -15.483 1.00 0.87 C ATOM 713 CD2 LEU A 48 -12.127 -2.569 -13.637 1.00 1.24 C ATOM 0 H LEU A 48 -9.646 -3.038 -16.296 1.00 0.66 H new ATOM 0 HA LEU A 48 -8.022 -4.457 -14.367 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.464 -4.856 -13.490 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -9.631 -3.329 -13.274 1.00 0.61 H new ATOM 0 HG LEU A 48 -10.828 -2.492 -15.328 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -12.920 -3.659 -15.934 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -11.479 -4.649 -16.268 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -12.480 -4.987 -14.835 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -12.951 -2.060 -14.137 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -12.525 -3.314 -12.948 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -11.534 -1.842 -13.082 1.00 1.24 H new ATOM 725 N GLN A 49 -9.923 -6.132 -16.488 1.00 0.57 N ATOM 726 CA GLN A 49 -10.125 -7.468 -17.074 1.00 0.60 C ATOM 727 C GLN A 49 -8.889 -7.894 -17.882 1.00 0.59 C ATOM 728 O GLN A 49 -8.667 -9.086 -18.110 1.00 0.61 O ATOM 729 CB GLN A 49 -11.361 -7.485 -17.983 1.00 0.67 C ATOM 730 CG GLN A 49 -12.688 -7.384 -17.245 1.00 0.80 C ATOM 731 CD GLN A 49 -13.853 -7.114 -18.177 1.00 1.03 C ATOM 732 OE1 GLN A 49 -14.193 -5.962 -18.446 1.00 1.67 O ATOM 733 NE2 GLN A 49 -14.472 -8.178 -18.675 1.00 1.52 N ATOM 0 H GLN A 49 -10.434 -5.388 -16.963 1.00 0.57 H new ATOM 0 HA GLN A 49 -10.279 -8.171 -16.256 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -11.288 -6.658 -18.689 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -11.354 -8.405 -18.568 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -12.869 -8.311 -16.702 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.628 -6.587 -16.504 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -14.156 -9.115 -18.425 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -15.263 -8.058 -19.308 1.00 1.52 H new ATOM 742 N ASP A 50 -8.098 -6.894 -18.307 1.00 0.58 N ATOM 743 CA ASP A 50 -6.871 -7.114 -19.075 1.00 0.57 C ATOM 744 C ASP A 50 -5.688 -7.335 -18.131 1.00 0.49 C ATOM 745 O ASP A 50 -4.858 -8.216 -18.373 1.00 0.48 O ATOM 746 CB ASP A 50 -6.589 -5.927 -20.007 1.00 0.63 C ATOM 747 CG ASP A 50 -5.764 -6.315 -21.223 1.00 1.03 C ATOM 748 OD1 ASP A 50 -4.520 -6.248 -21.142 1.00 1.83 O ATOM 749 OD2 ASP A 50 -6.364 -6.685 -22.254 1.00 1.48 O ATOM 0 H ASP A 50 -8.296 -5.910 -18.125 1.00 0.58 H new ATOM 0 HA ASP A 50 -7.007 -8.006 -19.687 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -7.535 -5.498 -20.337 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -6.064 -5.151 -19.450 1.00 0.63 H new ATOM 754 N MET A 51 -5.607 -6.520 -17.056 1.00 0.45 N ATOM 755 CA MET A 51 -4.519 -6.660 -16.069 1.00 0.41 C ATOM 756 C MET A 51 -4.563 -8.014 -15.338 1.00 0.39 C ATOM 757 O MET A 51 -3.511 -8.524 -14.942 1.00 0.38 O ATOM 758 CB MET A 51 -4.485 -5.496 -15.062 1.00 0.41 C ATOM 759 CG MET A 51 -3.847 -4.234 -15.626 1.00 0.48 C ATOM 760 SD MET A 51 -2.102 -4.458 -16.028 1.00 1.31 S ATOM 761 CE MET A 51 -1.772 -2.971 -16.971 1.00 1.31 C ATOM 0 H MET A 51 -6.270 -5.772 -16.853 1.00 0.45 H new ATOM 0 HA MET A 51 -3.593 -6.624 -16.642 1.00 0.41 H new ATOM 0 HB2 MET A 51 -5.503 -5.270 -14.743 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.935 -5.808 -14.174 1.00 0.41 H new ATOM 0 HG2 MET A 51 -4.386 -3.928 -16.523 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.948 -3.425 -14.902 1.00 0.48 H new ATOM 0 HE1 MET A 51 -0.701 -2.886 -17.153 1.00 1.31 H new ATOM 0 HE2 MET A 51 -2.299 -3.020 -17.924 1.00 1.31 H new ATOM 0 HE3 MET A 51 -2.115 -2.101 -16.411 1.00 1.31 H new ATOM 771 N ILE A 52 -5.770 -8.598 -15.155 1.00 0.41 N ATOM 772 CA ILE A 52 -5.878 -9.921 -14.510 1.00 0.42 C ATOM 773 C ILE A 52 -5.708 -11.053 -15.541 1.00 0.46 C ATOM 774 O ILE A 52 -5.505 -12.208 -15.174 1.00 0.49 O ATOM 775 CB ILE A 52 -7.179 -10.171 -13.707 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.594 -8.923 -12.927 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.979 -11.346 -12.769 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.988 -9.108 -11.449 1.00 0.48 C ATOM 0 H ILE A 52 -6.659 -8.185 -15.437 1.00 0.41 H new ATOM 0 HA ILE A 52 -5.066 -9.921 -13.783 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.982 -10.404 -14.407 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -6.770 -8.210 -12.969 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -8.437 -8.467 -13.446 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.895 -11.521 -12.205 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -6.734 -12.236 -13.348 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.164 -11.126 -12.079 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -8.259 -8.143 -11.021 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.838 -9.786 -11.381 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -7.146 -9.526 -10.898 1.00 0.48 H new ATOM 790 N ASN A 53 -5.791 -10.702 -16.830 1.00 0.49 N ATOM 791 CA ASN A 53 -5.682 -11.647 -17.930 1.00 0.56 C ATOM 792 C ASN A 53 -4.272 -12.208 -18.061 1.00 0.58 C ATOM 793 O ASN A 53 -4.076 -13.424 -18.128 1.00 0.65 O ATOM 794 CB ASN A 53 -6.033 -10.893 -19.190 1.00 0.58 C ATOM 795 CG ASN A 53 -7.093 -11.579 -20.029 1.00 0.65 C ATOM 796 OD1 ASN A 53 -8.288 -11.340 -19.856 1.00 1.27 O ATOM 797 ND2 ASN A 53 -6.659 -12.437 -20.945 1.00 1.35 N ATOM 0 H ASN A 53 -5.938 -9.740 -17.134 1.00 0.49 H new ATOM 0 HA ASN A 53 -6.350 -12.490 -17.753 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -6.382 -9.896 -18.922 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -5.132 -10.765 -19.790 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -7.326 -12.929 -21.540 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -5.659 -12.604 -21.054 1.00 1.35 H new ATOM 804 N GLU A 54 -3.302 -11.292 -18.108 1.00 0.55 N ATOM 805 CA GLU A 54 -1.880 -11.657 -18.232 1.00 0.59 C ATOM 806 C GLU A 54 -1.281 -12.133 -16.918 1.00 0.57 C ATOM 807 O GLU A 54 -0.334 -12.926 -16.915 1.00 0.62 O ATOM 808 CB GLU A 54 -1.060 -10.497 -18.805 1.00 0.61 C ATOM 809 CG GLU A 54 -1.303 -10.242 -20.285 1.00 0.79 C ATOM 810 CD GLU A 54 -0.474 -9.091 -20.822 1.00 1.15 C ATOM 811 OE1 GLU A 54 -0.958 -7.941 -20.781 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.660 -9.341 -21.283 1.00 1.82 O ATOM 0 H GLU A 54 -3.472 -10.287 -18.062 1.00 0.55 H new ATOM 0 HA GLU A 54 -1.837 -12.495 -18.928 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -1.293 -9.590 -18.247 1.00 0.61 H new ATOM 0 HB3 GLU A 54 -0.001 -10.703 -18.651 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -1.071 -11.146 -20.849 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -2.360 -10.029 -20.445 1.00 0.79 H new ATOM 819 N VAL A 55 -1.831 -11.649 -15.817 1.00 0.50 N ATOM 820 CA VAL A 55 -1.383 -12.062 -14.492 1.00 0.48 C ATOM 821 C VAL A 55 -2.485 -12.957 -13.906 1.00 0.48 C ATOM 822 O VAL A 55 -2.746 -12.970 -12.700 1.00 0.45 O ATOM 823 CB VAL A 55 -1.065 -10.847 -13.558 1.00 0.44 C ATOM 824 CG1 VAL A 55 -0.138 -11.268 -12.421 1.00 0.47 C ATOM 825 CG2 VAL A 55 -0.433 -9.693 -14.333 1.00 0.48 C ATOM 0 H VAL A 55 -2.590 -10.968 -15.812 1.00 0.50 H new ATOM 0 HA VAL A 55 -0.443 -12.608 -14.572 1.00 0.48 H new ATOM 0 HB VAL A 55 -2.012 -10.504 -13.142 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.070 -10.408 -11.784 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.617 -12.049 -11.831 1.00 0.47 H new ATOM 0 HG13 VAL A 55 0.796 -11.648 -12.835 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -0.226 -8.867 -13.652 1.00 0.48 H new ATOM 0 HG22 VAL A 55 0.498 -10.028 -14.790 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -1.119 -9.358 -15.111 1.00 0.48 H new ATOM 835 N ASP A 56 -3.102 -13.734 -14.818 1.00 0.55 N ATOM 836 CA ASP A 56 -4.224 -14.639 -14.502 1.00 0.60 C ATOM 837 C ASP A 56 -3.904 -15.746 -13.485 1.00 0.61 C ATOM 838 O ASP A 56 -3.098 -16.644 -13.752 1.00 0.65 O ATOM 839 CB ASP A 56 -4.782 -15.261 -15.800 1.00 0.75 C ATOM 840 CG ASP A 56 -3.739 -16.014 -16.621 1.00 0.98 C ATOM 841 OD1 ASP A 56 -2.740 -15.387 -17.032 1.00 1.58 O ATOM 842 OD2 ASP A 56 -3.926 -17.228 -16.848 1.00 1.87 O ATOM 0 H ASP A 56 -2.833 -13.751 -15.802 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.972 -14.011 -14.018 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -5.592 -15.944 -15.545 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -5.213 -14.470 -16.415 1.00 0.75 H new ATOM 847 N ALA A 57 -4.546 -15.645 -12.311 1.00 0.59 N ATOM 848 CA ALA A 57 -4.421 -16.650 -11.250 1.00 0.62 C ATOM 849 C ALA A 57 -5.466 -17.735 -11.464 1.00 0.68 C ATOM 850 O ALA A 57 -5.174 -18.934 -11.441 1.00 0.74 O ATOM 851 CB ALA A 57 -4.606 -16.014 -9.880 1.00 0.60 C ATOM 0 H ALA A 57 -5.163 -14.868 -12.073 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.423 -17.086 -11.291 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.509 -16.778 -9.108 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.846 -15.247 -9.729 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.595 -15.561 -9.820 1.00 0.60 H new ATOM 857 N ASP A 58 -6.685 -17.257 -11.669 1.00 0.68 N ATOM 858 CA ASP A 58 -7.847 -18.089 -11.935 1.00 0.75 C ATOM 859 C ASP A 58 -8.350 -17.803 -13.359 1.00 0.75 C ATOM 860 O ASP A 58 -9.036 -18.627 -13.971 1.00 0.83 O ATOM 861 CB ASP A 58 -8.904 -17.804 -10.852 1.00 0.77 C ATOM 862 CG ASP A 58 -10.291 -18.351 -11.163 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.232 -17.541 -11.296 1.00 1.36 O ATOM 864 OD2 ASP A 58 -10.431 -19.588 -11.272 1.00 1.62 O ATOM 0 H ASP A 58 -6.897 -16.259 -11.655 1.00 0.68 H new ATOM 0 HA ASP A 58 -7.606 -19.151 -11.890 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -8.563 -18.230 -9.908 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -8.976 -16.726 -10.708 1.00 0.77 H new ATOM 869 N GLY A 59 -7.985 -16.613 -13.853 1.00 0.68 N ATOM 870 CA GLY A 59 -8.297 -16.172 -15.204 1.00 0.68 C ATOM 871 C GLY A 59 -9.743 -15.862 -15.466 1.00 0.72 C ATOM 872 O GLY A 59 -10.142 -15.689 -16.622 1.00 0.75 O ATOM 0 H GLY A 59 -7.458 -15.926 -13.313 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -7.707 -15.281 -15.422 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -7.977 -16.945 -15.903 1.00 0.68 H new ATOM 876 N ASN A 60 -10.529 -15.793 -14.402 1.00 0.73 N ATOM 877 CA ASN A 60 -11.910 -15.408 -14.513 1.00 0.78 C ATOM 878 C ASN A 60 -11.974 -13.929 -14.180 1.00 0.72 C ATOM 879 O ASN A 60 -13.033 -13.360 -13.886 1.00 0.77 O ATOM 880 CB ASN A 60 -12.806 -16.248 -13.593 1.00 0.86 C ATOM 881 CG ASN A 60 -13.000 -17.662 -14.108 1.00 1.28 C ATOM 882 OD1 ASN A 60 -13.943 -17.941 -14.849 1.00 1.86 O ATOM 883 ND2 ASN A 60 -12.106 -18.563 -13.718 1.00 2.03 N ATOM 0 H ASN A 60 -10.223 -16.002 -13.452 1.00 0.73 H new ATOM 0 HA ASN A 60 -12.286 -15.587 -15.520 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -12.366 -16.284 -12.596 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.777 -15.763 -13.495 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -12.185 -19.530 -14.033 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -11.340 -18.288 -13.103 1.00 2.03 H new ATOM 890 N GLY A 61 -10.779 -13.326 -14.269 1.00 0.64 N ATOM 891 CA GLY A 61 -10.598 -11.930 -13.964 1.00 0.59 C ATOM 892 C GLY A 61 -10.299 -11.738 -12.498 1.00 0.56 C ATOM 893 O GLY A 61 -10.581 -10.693 -11.909 1.00 0.56 O ATOM 0 H GLY A 61 -9.925 -13.804 -14.555 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -9.782 -11.525 -14.563 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -11.497 -11.375 -14.233 1.00 0.59 H new ATOM 897 N THR A 62 -9.725 -12.783 -11.928 1.00 0.56 N ATOM 898 CA THR A 62 -9.397 -12.825 -10.518 1.00 0.54 C ATOM 899 C THR A 62 -7.954 -13.190 -10.253 1.00 0.50 C ATOM 900 O THR A 62 -7.393 -14.086 -10.891 1.00 0.51 O ATOM 901 CB THR A 62 -10.255 -13.831 -9.751 1.00 0.59 C ATOM 902 OG1 THR A 62 -10.842 -14.793 -10.639 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.338 -13.123 -8.957 1.00 0.62 C ATOM 0 H THR A 62 -9.473 -13.631 -12.436 1.00 0.56 H new ATOM 0 HA THR A 62 -9.591 -11.810 -10.172 1.00 0.54 H new ATOM 0 HB THR A 62 -9.602 -14.359 -9.056 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.264 -15.506 -10.116 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.936 -13.859 -8.420 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.878 -12.439 -8.244 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.979 -12.562 -9.637 1.00 0.62 H new ATOM 911 N ILE A 63 -7.370 -12.473 -9.300 1.00 0.47 N ATOM 912 CA ILE A 63 -6.018 -12.697 -8.876 1.00 0.45 C ATOM 913 C ILE A 63 -6.022 -12.977 -7.372 1.00 0.46 C ATOM 914 O ILE A 63 -6.765 -12.356 -6.608 1.00 0.48 O ATOM 915 CB ILE A 63 -5.123 -11.496 -9.252 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.853 -11.936 -9.980 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.782 -10.662 -8.042 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.156 -10.788 -10.684 1.00 0.42 C ATOM 0 H ILE A 63 -7.838 -11.715 -8.803 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.597 -13.562 -9.388 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.699 -10.877 -9.939 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.167 -12.388 -9.264 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.105 -12.705 -10.710 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.151 -9.825 -8.343 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.699 -10.282 -7.592 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.249 -11.276 -7.316 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.261 -11.158 -11.184 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.829 -10.351 -11.421 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.876 -10.029 -9.953 1.00 0.42 H new ATOM 930 N ASP A 64 -5.212 -13.928 -6.986 1.00 0.48 N ATOM 931 CA ASP A 64 -5.098 -14.363 -5.600 1.00 0.51 C ATOM 932 C ASP A 64 -3.894 -13.711 -4.905 1.00 0.54 C ATOM 933 O ASP A 64 -3.204 -12.879 -5.501 1.00 0.54 O ATOM 934 CB ASP A 64 -4.991 -15.886 -5.583 1.00 0.57 C ATOM 935 CG ASP A 64 -6.336 -16.565 -5.764 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.714 -16.833 -6.923 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.009 -16.829 -4.745 1.00 1.33 O ATOM 0 H ASP A 64 -4.601 -14.435 -7.626 1.00 0.48 H new ATOM 0 HA ASP A 64 -5.982 -14.050 -5.045 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.315 -16.208 -6.375 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.550 -16.206 -4.639 1.00 0.57 H new ATOM 942 N PHE A 65 -3.647 -14.103 -3.641 1.00 0.62 N ATOM 943 CA PHE A 65 -2.540 -13.558 -2.836 1.00 0.73 C ATOM 944 C PHE A 65 -1.127 -13.983 -3.329 1.00 0.78 C ATOM 945 O PHE A 65 -0.201 -13.176 -3.212 1.00 0.86 O ATOM 946 CB PHE A 65 -2.720 -13.910 -1.343 1.00 0.82 C ATOM 947 CG PHE A 65 -2.953 -15.372 -1.045 1.00 0.82 C ATOM 948 CD1 PHE A 65 -4.223 -15.920 -1.139 1.00 1.39 C ATOM 949 CD2 PHE A 65 -1.901 -16.191 -0.668 1.00 1.51 C ATOM 950 CE1 PHE A 65 -4.439 -17.257 -0.864 1.00 1.43 C ATOM 951 CE2 PHE A 65 -2.111 -17.529 -0.392 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.381 -18.063 -0.490 1.00 0.90 C ATOM 0 H PHE A 65 -4.206 -14.802 -3.152 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.590 -12.477 -2.964 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -1.833 -13.583 -0.801 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.561 -13.338 -0.951 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -5.054 -15.294 -1.431 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -0.906 -15.779 -0.589 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -5.433 -17.671 -0.941 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -1.282 -18.157 -0.100 1.00 1.52 H new ATOM 0 HZ PHE A 65 -3.547 -19.108 -0.275 1.00 0.90 H new ATOM 962 N PRO A 66 -0.907 -15.229 -3.884 1.00 0.79 N ATOM 963 CA PRO A 66 0.431 -15.654 -4.359 1.00 0.89 C ATOM 964 C PRO A 66 0.895 -14.911 -5.618 1.00 0.79 C ATOM 965 O PRO A 66 2.096 -14.704 -5.805 1.00 0.82 O ATOM 966 CB PRO A 66 0.262 -17.153 -4.663 1.00 0.98 C ATOM 967 CG PRO A 66 -1.029 -17.545 -4.031 1.00 0.91 C ATOM 968 CD PRO A 66 -1.886 -16.320 -4.086 1.00 0.75 C ATOM 0 HA PRO A 66 1.193 -15.436 -3.610 1.00 0.89 H new ATOM 0 HB2 PRO A 66 0.244 -17.336 -5.737 1.00 0.98 H new ATOM 0 HB3 PRO A 66 1.090 -17.732 -4.255 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.493 -18.373 -4.566 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -0.879 -17.874 -3.003 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.402 -16.229 -5.042 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -2.651 -16.326 -3.310 1.00 0.75 H new ATOM 976 N GLU A 67 -0.062 -14.529 -6.479 1.00 0.69 N ATOM 977 CA GLU A 67 0.239 -13.811 -7.711 1.00 0.63 C ATOM 978 C GLU A 67 0.262 -12.292 -7.508 1.00 0.62 C ATOM 979 O GLU A 67 1.202 -11.630 -7.957 1.00 0.66 O ATOM 980 CB GLU A 67 -0.736 -14.206 -8.807 1.00 0.61 C ATOM 981 CG GLU A 67 -0.153 -15.218 -9.778 1.00 0.70 C ATOM 982 CD GLU A 67 -1.193 -15.817 -10.702 1.00 1.12 C ATOM 983 OE1 GLU A 67 -1.658 -15.103 -11.614 1.00 1.71 O ATOM 984 OE2 GLU A 67 -1.537 -17.003 -10.516 1.00 1.94 O ATOM 0 H GLU A 67 -1.055 -14.711 -6.336 1.00 0.69 H new ATOM 0 HA GLU A 67 1.244 -14.098 -8.020 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.636 -14.621 -8.354 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.038 -13.315 -9.357 1.00 0.61 H new ATOM 0 HG2 GLU A 67 0.621 -14.736 -10.375 1.00 0.70 H new ATOM 0 HG3 GLU A 67 0.329 -16.017 -9.215 1.00 0.70 H new ATOM 991 N PHE A 68 -0.790 -11.747 -6.853 1.00 0.63 N ATOM 992 CA PHE A 68 -0.912 -10.305 -6.546 1.00 0.72 C ATOM 993 C PHE A 68 0.422 -9.626 -6.184 1.00 0.79 C ATOM 994 O PHE A 68 0.744 -8.568 -6.726 1.00 0.87 O ATOM 995 CB PHE A 68 -1.931 -10.126 -5.401 1.00 0.88 C ATOM 996 CG PHE A 68 -2.296 -8.697 -5.090 1.00 0.91 C ATOM 997 CD1 PHE A 68 -1.602 -7.986 -4.122 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.331 -8.071 -5.760 1.00 1.84 C ATOM 999 CE1 PHE A 68 -1.934 -6.678 -3.832 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -3.667 -6.765 -5.475 1.00 2.44 C ATOM 1001 CZ PHE A 68 -2.969 -6.066 -4.510 1.00 2.37 C ATOM 0 H PHE A 68 -1.581 -12.299 -6.522 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.253 -9.811 -7.456 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.840 -10.670 -5.656 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.526 -10.586 -4.500 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -0.792 -8.462 -3.589 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -3.882 -8.612 -6.515 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.385 -6.135 -3.077 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -4.477 -6.288 -6.007 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.232 -5.043 -4.286 1.00 2.37 H new ATOM 1011 N LEU A 69 1.183 -10.241 -5.284 1.00 0.81 N ATOM 1012 CA LEU A 69 2.457 -9.673 -4.833 1.00 0.89 C ATOM 1013 C LEU A 69 3.652 -10.040 -5.690 1.00 0.84 C ATOM 1014 O LEU A 69 4.706 -9.432 -5.540 1.00 0.89 O ATOM 1015 CB LEU A 69 2.781 -10.061 -3.407 1.00 0.99 C ATOM 1016 CG LEU A 69 2.225 -11.411 -2.966 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.809 -12.550 -3.791 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.512 -11.637 -1.502 1.00 1.14 C ATOM 0 H LEU A 69 0.943 -11.133 -4.850 1.00 0.81 H new ATOM 0 HA LEU A 69 2.295 -8.598 -4.917 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.864 -10.074 -3.287 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.395 -9.290 -2.740 1.00 0.99 H new ATOM 0 HG LEU A 69 1.147 -11.397 -3.126 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.391 -13.497 -3.450 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.562 -12.402 -4.842 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.892 -12.567 -3.672 1.00 0.92 H new ATOM 0 HD21 LEU A 69 2.111 -12.604 -1.198 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.589 -11.623 -1.336 1.00 1.14 H new ATOM 0 HD23 LEU A 69 2.044 -10.848 -0.913 1.00 1.14 H new ATOM 1030 N THR A 70 3.512 -11.063 -6.542 1.00 0.78 N ATOM 1031 CA THR A 70 4.614 -11.523 -7.418 1.00 0.78 C ATOM 1032 C THR A 70 5.323 -10.353 -8.106 1.00 0.80 C ATOM 1033 O THR A 70 6.453 -10.497 -8.574 1.00 0.79 O ATOM 1034 CB THR A 70 4.101 -12.538 -8.475 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.306 -13.543 -7.839 1.00 0.79 O ATOM 1036 CG2 THR A 70 5.248 -13.214 -9.225 1.00 0.88 C ATOM 0 H THR A 70 2.647 -11.593 -6.649 1.00 0.78 H new ATOM 0 HA THR A 70 5.341 -12.023 -6.778 1.00 0.78 H new ATOM 0 HB THR A 70 3.504 -11.980 -9.196 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.491 -13.546 -6.877 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.843 -13.916 -9.954 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.842 -12.458 -9.740 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.879 -13.751 -8.517 1.00 0.88 H new ATOM 1044 N MET A 71 4.641 -9.211 -8.158 1.00 0.87 N ATOM 1045 CA MET A 71 5.199 -8.007 -8.729 1.00 0.96 C ATOM 1046 C MET A 71 5.981 -7.202 -7.695 1.00 0.97 C ATOM 1047 O MET A 71 6.991 -6.592 -8.050 1.00 1.00 O ATOM 1048 CB MET A 71 4.121 -7.157 -9.399 1.00 1.10 C ATOM 1049 CG MET A 71 3.583 -7.756 -10.691 1.00 1.15 C ATOM 1050 SD MET A 71 4.786 -7.730 -12.033 1.00 1.66 S ATOM 1051 CE MET A 71 5.204 -9.468 -12.152 1.00 1.68 C ATOM 0 H MET A 71 3.690 -9.104 -7.805 1.00 0.87 H new ATOM 0 HA MET A 71 5.905 -8.312 -9.502 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.295 -7.019 -8.702 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.529 -6.169 -9.610 1.00 1.10 H new ATOM 0 HG2 MET A 71 3.274 -8.785 -10.507 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.693 -7.206 -10.997 1.00 1.15 H new ATOM 0 HE1 MET A 71 6.095 -9.587 -12.769 1.00 1.68 H new ATOM 0 HE2 MET A 71 5.398 -9.865 -11.155 1.00 1.68 H new ATOM 0 HE3 MET A 71 4.374 -10.012 -12.604 1.00 1.68 H new ATOM 1061 N MET A 72 5.532 -7.191 -6.420 1.00 0.99 N ATOM 1062 CA MET A 72 6.285 -6.485 -5.377 1.00 1.06 C ATOM 1063 C MET A 72 7.336 -7.438 -4.832 1.00 0.94 C ATOM 1064 O MET A 72 8.347 -7.023 -4.258 1.00 0.95 O ATOM 1065 CB MET A 72 5.389 -5.906 -4.264 1.00 1.23 C ATOM 1066 CG MET A 72 4.380 -6.878 -3.653 1.00 1.37 C ATOM 1067 SD MET A 72 3.905 -6.421 -1.973 1.00 2.19 S ATOM 1068 CE MET A 72 5.284 -7.069 -1.028 1.00 3.08 C ATOM 0 H MET A 72 4.678 -7.650 -6.102 1.00 0.99 H new ATOM 0 HA MET A 72 6.765 -5.611 -5.818 1.00 1.06 H new ATOM 0 HB2 MET A 72 6.029 -5.527 -3.467 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.845 -5.052 -4.668 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.490 -6.914 -4.281 1.00 1.37 H new ATOM 0 HG3 MET A 72 4.806 -7.881 -3.646 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.193 -6.754 0.011 1.00 3.08 H new ATOM 0 HE2 MET A 72 5.280 -8.158 -1.079 1.00 3.08 H new ATOM 0 HE3 MET A 72 6.219 -6.690 -1.441 1.00 3.08 H new ATOM 1078 N ALA A 73 7.055 -8.732 -5.034 1.00 0.86 N ATOM 1079 CA ALA A 73 7.973 -9.799 -4.702 1.00 0.79 C ATOM 1080 C ALA A 73 9.011 -9.866 -5.816 1.00 0.71 C ATOM 1081 O ALA A 73 10.077 -10.464 -5.647 1.00 0.68 O ATOM 1082 CB ALA A 73 7.246 -11.127 -4.552 1.00 0.80 C ATOM 0 H ALA A 73 6.175 -9.057 -5.436 1.00 0.86 H new ATOM 0 HA ALA A 73 8.453 -9.600 -3.744 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.964 -11.909 -4.302 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.504 -11.048 -3.757 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.748 -11.377 -5.489 1.00 0.80 H new ATOM 1088 N ARG A 74 8.671 -9.242 -6.982 1.00 0.72 N ATOM 1089 CA ARG A 74 9.553 -9.150 -8.092 1.00 0.71 C ATOM 1090 C ARG A 74 10.597 -8.085 -7.814 1.00 0.73 C ATOM 1091 O ARG A 74 11.776 -8.282 -8.100 1.00 0.68 O ATOM 1092 CB ARG A 74 8.721 -8.786 -9.319 1.00 0.83 C ATOM 1093 CG ARG A 74 9.521 -8.360 -10.525 1.00 0.91 C ATOM 1094 CD ARG A 74 10.069 -9.539 -11.323 1.00 1.12 C ATOM 1095 NE ARG A 74 10.699 -9.108 -12.576 1.00 1.47 N ATOM 1096 CZ ARG A 74 11.178 -9.938 -13.515 1.00 1.90 C ATOM 1097 NH1 ARG A 74 11.109 -11.259 -13.366 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.729 -9.436 -14.612 1.00 2.55 N ATOM 0 H ARG A 74 7.765 -8.800 -7.138 1.00 0.72 H new ATOM 0 HA ARG A 74 10.068 -10.095 -8.265 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.108 -9.645 -9.592 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.038 -7.980 -9.051 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.893 -7.750 -11.174 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.350 -7.731 -10.201 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.797 -10.079 -10.718 1.00 1.12 H new ATOM 0 HD3 ARG A 74 9.260 -10.235 -11.544 1.00 1.12 H new ATOM 0 HE ARG A 74 10.779 -8.105 -12.745 1.00 1.47 H new ATOM 0 HH11 ARG A 74 10.686 -11.656 -12.527 1.00 2.18 H new ATOM 0 HH12 ARG A 74 11.479 -11.874 -14.091 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.786 -8.425 -14.737 1.00 2.55 H new ATOM 0 HH22 ARG A 74 12.095 -10.061 -15.330 1.00 2.55 H new ATOM 1112 N LYS A 75 10.137 -6.936 -7.283 1.00 0.86 N ATOM 1113 CA LYS A 75 11.025 -5.847 -6.904 1.00 0.95 C ATOM 1114 C LYS A 75 12.069 -6.350 -5.898 1.00 0.90 C ATOM 1115 O LYS A 75 13.081 -5.694 -5.635 1.00 0.96 O ATOM 1116 CB LYS A 75 10.200 -4.696 -6.335 1.00 1.19 C ATOM 1117 CG LYS A 75 8.891 -4.519 -7.088 1.00 1.28 C ATOM 1118 CD LYS A 75 9.077 -3.786 -8.401 1.00 1.40 C ATOM 1119 CE LYS A 75 8.645 -2.331 -8.313 1.00 2.25 C ATOM 1120 NZ LYS A 75 8.765 -1.636 -9.625 1.00 2.99 N ATOM 0 H LYS A 75 9.149 -6.748 -7.111 1.00 0.86 H new ATOM 0 HA LYS A 75 11.561 -5.480 -7.779 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.992 -4.883 -5.282 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.778 -3.773 -6.387 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.450 -5.497 -7.280 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.187 -3.969 -6.464 1.00 1.28 H new ATOM 0 HD2 LYS A 75 10.125 -3.835 -8.697 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.502 -4.287 -9.180 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.612 -2.279 -7.968 1.00 2.25 H new ATOM 0 HE3 LYS A 75 9.255 -1.815 -7.572 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 8.676 -0.609 -9.483 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 9.691 -1.849 -10.047 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.011 -1.964 -10.262 1.00 2.99 H new ATOM 1134 N MET A 76 11.767 -7.537 -5.338 1.00 0.85 N ATOM 1135 CA MET A 76 12.629 -8.242 -4.408 1.00 0.93 C ATOM 1136 C MET A 76 13.665 -9.048 -5.192 1.00 0.83 C ATOM 1137 O MET A 76 14.841 -9.084 -4.817 1.00 0.93 O ATOM 1138 CB MET A 76 11.826 -9.192 -3.506 1.00 1.07 C ATOM 1139 CG MET A 76 10.609 -8.556 -2.860 1.00 0.96 C ATOM 1140 SD MET A 76 9.666 -9.718 -1.855 1.00 1.64 S ATOM 1141 CE MET A 76 8.412 -8.636 -1.174 1.00 2.37 C ATOM 0 H MET A 76 10.896 -8.031 -5.532 1.00 0.85 H new ATOM 0 HA MET A 76 13.120 -7.504 -3.774 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.504 -10.050 -4.096 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.482 -9.573 -2.723 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.929 -7.720 -2.238 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.963 -8.147 -3.637 1.00 0.96 H new ATOM 0 HE1 MET A 76 7.748 -9.210 -0.527 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.889 -7.846 -0.594 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.834 -8.193 -1.985 1.00 2.37 H new ATOM 1151 N LYS A 77 13.213 -9.698 -6.293 1.00 0.72 N ATOM 1152 CA LYS A 77 14.108 -10.488 -7.139 1.00 0.79 C ATOM 1153 C LYS A 77 14.833 -9.617 -8.188 1.00 0.78 C ATOM 1154 O LYS A 77 15.785 -10.069 -8.830 1.00 0.91 O ATOM 1155 CB LYS A 77 13.348 -11.667 -7.773 1.00 0.86 C ATOM 1156 CG LYS A 77 12.295 -11.319 -8.821 1.00 0.76 C ATOM 1157 CD LYS A 77 10.970 -12.024 -8.514 1.00 0.89 C ATOM 1158 CE LYS A 77 11.038 -13.539 -8.721 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.736 -14.199 -8.425 1.00 1.75 N ATOM 0 H LYS A 77 12.242 -9.684 -6.604 1.00 0.72 H new ATOM 0 HA LYS A 77 14.892 -10.905 -6.507 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.077 -12.335 -8.232 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.861 -12.227 -6.974 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.141 -10.240 -8.845 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.648 -11.613 -9.810 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.684 -11.816 -7.483 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.188 -11.610 -9.151 1.00 0.89 H new ATOM 0 HE2 LYS A 77 11.327 -13.752 -9.750 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.812 -13.959 -8.079 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.824 -15.224 -8.577 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.472 -14.017 -7.436 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.002 -13.817 -9.055 1.00 1.75 H new ATOM 1173 N ASP A 78 14.361 -8.374 -8.340 1.00 0.74 N ATOM 1174 CA ASP A 78 14.943 -7.400 -9.270 1.00 0.79 C ATOM 1175 C ASP A 78 15.426 -6.166 -8.507 1.00 0.77 C ATOM 1176 O ASP A 78 14.698 -5.634 -7.666 1.00 0.80 O ATOM 1177 CB ASP A 78 13.911 -6.986 -10.322 1.00 0.84 C ATOM 1178 CG ASP A 78 13.625 -8.090 -11.323 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.073 -9.133 -10.914 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.952 -7.910 -12.515 1.00 1.92 O ATOM 0 H ASP A 78 13.561 -8.014 -7.819 1.00 0.74 H new ATOM 0 HA ASP A 78 15.792 -7.865 -9.771 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.984 -6.702 -9.824 1.00 0.84 H new ATOM 0 HB3 ASP A 78 14.271 -6.104 -10.852 1.00 0.84 H new ATOM 1185 N THR A 79 16.653 -5.713 -8.809 1.00 0.79 N ATOM 1186 CA THR A 79 17.244 -4.550 -8.141 1.00 0.82 C ATOM 1187 C THR A 79 16.861 -3.234 -8.809 1.00 0.73 C ATOM 1188 O THR A 79 17.579 -2.229 -8.725 1.00 0.78 O ATOM 1189 CB THR A 79 18.780 -4.655 -8.016 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.361 -4.930 -9.296 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.183 -5.739 -7.023 1.00 1.15 C ATOM 0 H THR A 79 17.254 -6.138 -9.514 1.00 0.79 H new ATOM 0 HA THR A 79 16.823 -4.552 -7.135 1.00 0.82 H new ATOM 0 HB THR A 79 19.151 -3.699 -7.646 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.335 -4.993 -9.206 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.270 -5.787 -6.958 1.00 1.15 H new ATOM 0 HG22 THR A 79 18.771 -5.505 -6.041 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.796 -6.701 -7.358 1.00 1.15 H new ATOM 1199 N ASP A 80 15.703 -3.260 -9.449 1.00 0.66 N ATOM 1200 CA ASP A 80 15.133 -2.093 -10.114 1.00 0.67 C ATOM 1201 C ASP A 80 14.378 -1.218 -9.096 1.00 0.66 C ATOM 1202 O ASP A 80 13.701 -0.251 -9.459 1.00 0.74 O ATOM 1203 CB ASP A 80 14.197 -2.529 -11.250 1.00 0.77 C ATOM 1204 CG ASP A 80 14.944 -3.133 -12.424 1.00 1.18 C ATOM 1205 OD1 ASP A 80 15.148 -4.366 -12.428 1.00 1.72 O ATOM 1206 OD2 ASP A 80 15.325 -2.374 -13.340 1.00 1.86 O ATOM 0 H ASP A 80 15.125 -4.097 -9.524 1.00 0.66 H new ATOM 0 HA ASP A 80 15.943 -1.504 -10.544 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.481 -3.256 -10.867 1.00 0.77 H new ATOM 0 HB3 ASP A 80 13.623 -1.668 -11.594 1.00 0.77 H new ATOM 1211 N SER A 81 14.540 -1.575 -7.809 1.00 0.67 N ATOM 1212 CA SER A 81 13.887 -0.897 -6.679 1.00 0.75 C ATOM 1213 C SER A 81 14.370 0.550 -6.454 1.00 0.68 C ATOM 1214 O SER A 81 13.714 1.306 -5.734 1.00 0.76 O ATOM 1215 CB SER A 81 14.118 -1.725 -5.408 1.00 0.92 C ATOM 1216 OG SER A 81 13.458 -1.159 -4.285 1.00 1.07 O ATOM 0 H SER A 81 15.136 -2.352 -7.523 1.00 0.67 H new ATOM 0 HA SER A 81 12.826 -0.824 -6.920 1.00 0.75 H new ATOM 0 HB2 SER A 81 13.760 -2.742 -5.566 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.187 -1.792 -5.206 1.00 0.92 H new ATOM 0 HG SER A 81 13.291 -0.207 -4.449 1.00 1.07 H new ATOM 1222 N GLU A 82 15.506 0.929 -7.056 1.00 0.62 N ATOM 1223 CA GLU A 82 16.055 2.285 -6.886 1.00 0.63 C ATOM 1224 C GLU A 82 15.500 3.280 -7.919 1.00 0.57 C ATOM 1225 O GLU A 82 15.397 4.476 -7.630 1.00 0.58 O ATOM 1226 CB GLU A 82 17.589 2.253 -6.964 1.00 0.72 C ATOM 1227 CG GLU A 82 18.273 3.437 -6.277 1.00 0.78 C ATOM 1228 CD GLU A 82 18.427 3.243 -4.779 1.00 1.34 C ATOM 1229 OE1 GLU A 82 17.508 3.639 -4.032 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.466 2.695 -4.355 1.00 2.12 O ATOM 0 H GLU A 82 16.060 0.323 -7.661 1.00 0.62 H new ATOM 0 HA GLU A 82 15.744 2.631 -5.901 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.946 1.328 -6.511 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.889 2.232 -8.012 1.00 0.72 H new ATOM 0 HG2 GLU A 82 19.257 3.590 -6.721 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.695 4.342 -6.463 1.00 0.78 H new ATOM 1237 N GLU A 83 15.146 2.783 -9.110 1.00 0.55 N ATOM 1238 CA GLU A 83 14.622 3.635 -10.189 1.00 0.58 C ATOM 1239 C GLU A 83 13.116 3.888 -10.057 1.00 0.59 C ATOM 1240 O GLU A 83 12.629 4.953 -10.448 1.00 0.65 O ATOM 1241 CB GLU A 83 14.919 3.004 -11.557 1.00 0.64 C ATOM 1242 CG GLU A 83 16.386 3.073 -11.974 1.00 0.71 C ATOM 1243 CD GLU A 83 16.782 4.430 -12.530 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.210 5.295 -11.737 1.00 1.76 O ATOM 1245 OE2 GLU A 83 16.662 4.626 -13.758 1.00 1.27 O ATOM 0 H GLU A 83 15.212 1.795 -9.353 1.00 0.55 H new ATOM 0 HA GLU A 83 15.127 4.597 -10.106 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.607 1.960 -11.538 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.314 3.504 -12.314 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.014 2.842 -11.113 1.00 0.71 H new ATOM 0 HG3 GLU A 83 16.581 2.308 -12.725 1.00 0.71 H new ATOM 1252 N GLU A 84 12.390 2.908 -9.507 1.00 0.60 N ATOM 1253 CA GLU A 84 10.933 3.008 -9.338 1.00 0.68 C ATOM 1254 C GLU A 84 10.518 3.698 -8.031 1.00 0.63 C ATOM 1255 O GLU A 84 9.554 4.454 -8.015 1.00 0.69 O ATOM 1256 CB GLU A 84 10.268 1.617 -9.428 1.00 0.80 C ATOM 1257 CG GLU A 84 10.897 0.513 -8.566 1.00 1.14 C ATOM 1258 CD GLU A 84 10.385 0.510 -7.134 1.00 1.74 C ATOM 1259 OE1 GLU A 84 11.204 0.709 -6.213 1.00 2.23 O ATOM 1260 OE2 GLU A 84 9.167 0.313 -6.934 1.00 2.31 O ATOM 0 H GLU A 84 12.789 2.032 -9.169 1.00 0.60 H new ATOM 0 HA GLU A 84 10.582 3.635 -10.157 1.00 0.68 H new ATOM 0 HB2 GLU A 84 9.220 1.718 -9.146 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.288 1.293 -10.469 1.00 0.80 H new ATOM 0 HG2 GLU A 84 10.692 -0.456 -9.021 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.980 0.639 -8.558 1.00 1.14 H new ATOM 1267 N ILE A 85 11.268 3.430 -6.956 1.00 0.57 N ATOM 1268 CA ILE A 85 10.990 3.959 -5.599 1.00 0.54 C ATOM 1269 C ILE A 85 10.699 5.475 -5.539 1.00 0.50 C ATOM 1270 O ILE A 85 9.930 5.914 -4.680 1.00 0.50 O ATOM 1271 CB ILE A 85 12.139 3.561 -4.618 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.622 3.445 -3.184 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.329 4.519 -4.671 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.860 2.082 -2.580 1.00 0.57 C ATOM 0 H ILE A 85 12.095 2.835 -6.995 1.00 0.57 H new ATOM 0 HA ILE A 85 10.058 3.490 -5.284 1.00 0.54 H new ATOM 0 HB ILE A 85 12.496 2.587 -4.951 1.00 0.54 H new ATOM 0 HG12 ILE A 85 12.108 4.200 -2.566 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.554 3.661 -3.170 1.00 0.52 H new ATOM 0 HG21 ILE A 85 14.093 4.189 -3.967 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.744 4.529 -5.679 1.00 0.57 H new ATOM 0 HG23 ILE A 85 13.000 5.523 -4.404 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.471 2.062 -1.562 1.00 0.57 H new ATOM 0 HD12 ILE A 85 11.351 1.325 -3.177 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.930 1.873 -2.564 1.00 0.57 H new ATOM 1286 N ARG A 86 11.304 6.259 -6.433 1.00 0.50 N ATOM 1287 CA ARG A 86 11.090 7.694 -6.454 1.00 0.50 C ATOM 1288 C ARG A 86 9.814 8.062 -7.225 1.00 0.52 C ATOM 1289 O ARG A 86 9.159 9.059 -6.907 1.00 0.53 O ATOM 1290 CB ARG A 86 12.309 8.392 -7.040 1.00 0.54 C ATOM 1291 CG ARG A 86 13.644 7.952 -6.438 1.00 1.10 C ATOM 1292 CD ARG A 86 14.692 9.055 -6.505 1.00 1.26 C ATOM 1293 NE ARG A 86 15.162 9.299 -7.876 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.081 10.215 -8.216 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.650 10.994 -7.298 1.00 1.78 N ATOM 1296 NH2 ARG A 86 16.432 10.349 -9.488 1.00 2.95 N ATOM 0 H ARG A 86 11.945 5.918 -7.149 1.00 0.50 H new ATOM 0 HA ARG A 86 10.952 8.036 -5.428 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.333 8.212 -8.115 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.199 9.467 -6.899 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.494 7.658 -5.399 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.009 7.073 -6.969 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.273 9.975 -6.098 1.00 1.26 H new ATOM 0 HD3 ARG A 86 15.540 8.785 -5.876 1.00 1.26 H new ATOM 0 HE ARG A 86 14.761 8.731 -8.622 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.389 10.900 -6.316 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.347 11.685 -7.576 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.004 9.758 -10.200 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.130 11.043 -9.754 1.00 2.95 H new ATOM 1310 N GLU A 87 9.476 7.249 -8.237 1.00 0.57 N ATOM 1311 CA GLU A 87 8.253 7.440 -9.038 1.00 0.63 C ATOM 1312 C GLU A 87 7.085 6.730 -8.365 1.00 0.62 C ATOM 1313 O GLU A 87 5.927 7.131 -8.506 1.00 0.65 O ATOM 1314 CB GLU A 87 8.448 6.909 -10.458 1.00 0.73 C ATOM 1315 CG GLU A 87 9.495 7.670 -11.261 1.00 0.77 C ATOM 1316 CD GLU A 87 9.716 7.081 -12.640 1.00 1.39 C ATOM 1317 OE1 GLU A 87 10.590 6.199 -12.776 1.00 2.08 O ATOM 1318 OE2 GLU A 87 9.016 7.501 -13.585 1.00 2.02 O ATOM 0 H GLU A 87 10.036 6.446 -8.523 1.00 0.57 H new ATOM 0 HA GLU A 87 8.038 8.507 -9.101 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.736 5.859 -10.407 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.496 6.953 -10.986 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.185 8.710 -11.360 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.438 7.669 -10.714 1.00 0.77 H new ATOM 1325 N ALA A 88 7.427 5.663 -7.629 1.00 0.60 N ATOM 1326 CA ALA A 88 6.476 4.880 -6.833 1.00 0.62 C ATOM 1327 C ALA A 88 5.912 5.756 -5.718 1.00 0.55 C ATOM 1328 O ALA A 88 4.882 5.449 -5.117 1.00 0.56 O ATOM 1329 CB ALA A 88 7.172 3.670 -6.270 1.00 0.70 C ATOM 0 H ALA A 88 8.385 5.317 -7.570 1.00 0.60 H new ATOM 0 HA ALA A 88 5.650 4.541 -7.459 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.466 3.087 -5.678 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.554 3.057 -7.087 1.00 0.70 H new ATOM 0 HB3 ALA A 88 8.000 3.988 -5.637 1.00 0.70 H new ATOM 1335 N PHE A 89 6.648 6.845 -5.452 1.00 0.51 N ATOM 1336 CA PHE A 89 6.267 7.858 -4.475 1.00 0.49 C ATOM 1337 C PHE A 89 5.247 8.790 -5.096 1.00 0.47 C ATOM 1338 O PHE A 89 4.226 9.112 -4.482 1.00 0.47 O ATOM 1339 CB PHE A 89 7.452 8.735 -4.080 1.00 0.51 C ATOM 1340 CG PHE A 89 7.409 9.186 -2.650 1.00 0.53 C ATOM 1341 CD1 PHE A 89 6.671 10.303 -2.287 1.00 1.27 C ATOM 1342 CD2 PHE A 89 8.092 8.493 -1.672 1.00 1.19 C ATOM 1343 CE1 PHE A 89 6.617 10.717 -0.975 1.00 1.29 C ATOM 1344 CE2 PHE A 89 8.045 8.902 -0.358 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.305 10.017 -0.009 1.00 0.65 C ATOM 0 H PHE A 89 7.533 7.043 -5.918 1.00 0.51 H new ATOM 0 HA PHE A 89 5.880 7.332 -3.602 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.376 8.183 -4.251 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.479 9.611 -4.729 1.00 0.51 H new ATOM 0 HD1 PHE A 89 6.132 10.855 -3.043 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.670 7.621 -1.940 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.037 11.587 -0.705 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.585 8.353 0.399 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.267 10.339 1.021 1.00 0.65 H new ATOM 1355 N ARG A 90 5.542 9.208 -6.346 1.00 0.50 N ATOM 1356 CA ARG A 90 4.689 10.132 -7.076 1.00 0.54 C ATOM 1357 C ARG A 90 3.310 9.532 -7.350 1.00 0.54 C ATOM 1358 O ARG A 90 2.341 10.250 -7.615 1.00 0.60 O ATOM 1359 CB ARG A 90 5.352 10.534 -8.390 1.00 0.62 C ATOM 1360 CG ARG A 90 5.411 12.032 -8.614 1.00 1.26 C ATOM 1361 CD ARG A 90 5.648 12.351 -10.078 1.00 1.50 C ATOM 1362 NE ARG A 90 5.694 13.796 -10.329 1.00 2.03 N ATOM 1363 CZ ARG A 90 5.775 14.358 -11.544 1.00 2.50 C ATOM 1364 NH1 ARG A 90 5.821 13.613 -12.647 1.00 2.61 N ATOM 1365 NH2 ARG A 90 5.811 15.679 -11.652 1.00 3.17 N ATOM 0 H ARG A 90 6.371 8.911 -6.860 1.00 0.50 H new ATOM 0 HA ARG A 90 4.551 11.016 -6.453 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.365 10.133 -8.412 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.809 10.074 -9.216 1.00 0.62 H new ATOM 0 HG2 ARG A 90 4.479 12.490 -8.284 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.209 12.463 -8.010 1.00 1.26 H new ATOM 0 HD2 ARG A 90 6.586 11.898 -10.400 1.00 1.50 H new ATOM 0 HD3 ARG A 90 4.855 11.904 -10.679 1.00 1.50 H new ATOM 0 HE ARG A 90 5.662 14.418 -9.521 1.00 2.03 H new ATOM 0 HH11 ARG A 90 5.795 12.596 -12.577 1.00 2.61 H new ATOM 0 HH12 ARG A 90 5.882 14.060 -13.562 1.00 2.61 H new ATOM 0 HH21 ARG A 90 5.777 16.260 -10.815 1.00 3.17 H new ATOM 0 HH22 ARG A 90 5.873 16.114 -12.573 1.00 3.17 H new ATOM 1379 N VAL A 91 3.263 8.198 -7.285 1.00 0.51 N ATOM 1380 CA VAL A 91 2.056 7.401 -7.481 1.00 0.53 C ATOM 1381 C VAL A 91 0.892 7.893 -6.593 1.00 0.54 C ATOM 1382 O VAL A 91 -0.243 8.034 -7.059 1.00 0.60 O ATOM 1383 CB VAL A 91 2.395 5.902 -7.198 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.987 5.446 -5.798 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.793 5.011 -8.262 1.00 0.59 C ATOM 0 H VAL A 91 4.088 7.631 -7.089 1.00 0.51 H new ATOM 0 HA VAL A 91 1.720 7.511 -8.512 1.00 0.53 H new ATOM 0 HB VAL A 91 3.481 5.814 -7.237 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.250 4.396 -5.666 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.508 6.047 -5.053 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.911 5.569 -5.675 1.00 0.47 H new ATOM 0 HG21 VAL A 91 2.040 3.971 -8.048 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.710 5.133 -8.269 1.00 0.59 H new ATOM 0 HG23 VAL A 91 2.195 5.286 -9.237 1.00 0.59 H new ATOM 1395 N PHE A 92 1.209 8.145 -5.315 1.00 0.49 N ATOM 1396 CA PHE A 92 0.246 8.609 -4.341 1.00 0.54 C ATOM 1397 C PHE A 92 0.486 10.057 -3.966 1.00 0.60 C ATOM 1398 O PHE A 92 -0.458 10.787 -3.654 1.00 0.69 O ATOM 1399 CB PHE A 92 0.285 7.743 -3.089 1.00 0.53 C ATOM 1400 CG PHE A 92 -0.985 6.965 -2.876 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.118 5.687 -3.387 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -2.052 7.517 -2.184 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.287 4.972 -3.214 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -3.222 6.804 -2.006 1.00 2.68 C ATOM 1405 CZ PHE A 92 -3.339 5.531 -2.522 1.00 2.89 C ATOM 0 H PHE A 92 2.150 8.028 -4.939 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.739 8.532 -4.800 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.123 7.049 -3.159 1.00 0.53 H new ATOM 0 HB3 PHE A 92 0.467 8.376 -2.221 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -0.297 5.242 -3.929 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -1.968 8.515 -1.780 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -2.376 3.976 -3.621 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -4.045 7.244 -1.463 1.00 2.68 H new ATOM 0 HZ PHE A 92 -4.253 4.973 -2.384 1.00 2.89 H new ATOM 1415 N ALA A 93 1.771 10.446 -3.982 1.00 0.57 N ATOM 1416 CA ALA A 93 2.209 11.821 -3.640 1.00 0.66 C ATOM 1417 C ALA A 93 1.279 12.901 -4.220 1.00 0.85 C ATOM 1418 O ALA A 93 0.730 13.716 -3.473 1.00 1.63 O ATOM 1419 CB ALA A 93 3.648 12.068 -4.103 1.00 0.65 C ATOM 0 H ALA A 93 2.539 9.822 -4.231 1.00 0.57 H new ATOM 0 HA ALA A 93 2.162 11.897 -2.554 1.00 0.66 H new ATOM 0 HB1 ALA A 93 3.945 13.083 -3.841 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.314 11.357 -3.615 1.00 0.65 H new ATOM 0 HB3 ALA A 93 3.710 11.940 -5.184 1.00 0.65 H new ATOM 1425 N LYS A 94 1.093 12.874 -5.561 1.00 1.24 N ATOM 1426 CA LYS A 94 0.232 13.830 -6.314 1.00 1.42 C ATOM 1427 C LYS A 94 0.614 15.309 -6.122 1.00 1.36 C ATOM 1428 O LYS A 94 0.094 16.182 -6.826 1.00 1.78 O ATOM 1429 CB LYS A 94 -1.254 13.618 -5.984 1.00 1.75 C ATOM 1430 CG LYS A 94 -1.811 12.316 -6.534 1.00 2.06 C ATOM 1431 CD LYS A 94 -3.284 12.151 -6.199 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.875 10.926 -6.877 1.00 2.90 C ATOM 1433 NZ LYS A 94 -5.347 10.834 -6.672 1.00 3.37 N ATOM 0 H LYS A 94 1.540 12.181 -6.162 1.00 1.24 H new ATOM 0 HA LYS A 94 0.408 13.604 -7.366 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -1.385 13.633 -4.902 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -1.831 14.451 -6.386 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -1.678 12.291 -7.616 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -1.248 11.477 -6.125 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -3.405 12.065 -5.119 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -3.831 13.041 -6.511 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -3.659 10.962 -7.945 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.397 10.028 -6.485 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -5.799 10.498 -7.546 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -5.549 10.167 -5.900 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -5.723 11.772 -6.426 1.00 3.37 H new ATOM 1447 N ASP A 95 1.520 15.576 -5.182 1.00 1.40 N ATOM 1448 CA ASP A 95 1.991 16.933 -4.908 1.00 1.71 C ATOM 1449 C ASP A 95 3.229 17.247 -5.753 1.00 1.53 C ATOM 1450 O ASP A 95 3.798 18.341 -5.663 1.00 1.84 O ATOM 1451 CB ASP A 95 2.308 17.097 -3.415 1.00 2.30 C ATOM 1452 CG ASP A 95 1.062 17.096 -2.550 1.00 2.81 C ATOM 1453 OD1 ASP A 95 0.502 18.187 -2.314 1.00 3.23 O ATOM 1454 OD2 ASP A 95 0.646 16.004 -2.109 1.00 3.21 O ATOM 0 H ASP A 95 1.946 14.862 -4.592 1.00 1.40 H new ATOM 0 HA ASP A 95 1.201 17.635 -5.174 1.00 1.71 H new ATOM 0 HB2 ASP A 95 2.967 16.290 -3.097 1.00 2.30 H new ATOM 0 HB3 ASP A 95 2.850 18.030 -3.263 1.00 2.30 H new ATOM 1459 N GLY A 96 3.623 16.270 -6.587 1.00 1.38 N ATOM 1460 CA GLY A 96 4.789 16.419 -7.446 1.00 1.83 C ATOM 1461 C GLY A 96 6.098 16.073 -6.748 1.00 1.85 C ATOM 1462 O GLY A 96 7.128 15.916 -7.410 1.00 2.43 O ATOM 0 H GLY A 96 3.146 15.373 -6.678 1.00 1.38 H new ATOM 0 HA2 GLY A 96 4.671 15.780 -8.321 1.00 1.83 H new ATOM 0 HA3 GLY A 96 4.838 17.447 -7.806 1.00 1.83 H new ATOM 1466 N ASN A 97 6.055 15.953 -5.407 1.00 1.55 N ATOM 1467 CA ASN A 97 7.231 15.641 -4.609 1.00 1.99 C ATOM 1468 C ASN A 97 6.864 14.867 -3.339 1.00 1.78 C ATOM 1469 O ASN A 97 7.375 13.764 -3.121 1.00 2.66 O ATOM 1470 CB ASN A 97 7.996 16.922 -4.240 1.00 2.43 C ATOM 1471 CG ASN A 97 8.801 17.476 -5.399 1.00 3.41 C ATOM 1472 OD1 ASN A 97 8.308 18.290 -6.180 1.00 4.01 O ATOM 1473 ND2 ASN A 97 10.049 17.036 -5.517 1.00 4.00 N ATOM 0 H ASN A 97 5.203 16.071 -4.859 1.00 1.55 H new ATOM 0 HA ASN A 97 7.875 15.006 -5.218 1.00 1.99 H new ATOM 0 HB2 ASN A 97 7.288 17.678 -3.900 1.00 2.43 H new ATOM 0 HB3 ASN A 97 8.665 16.713 -3.405 1.00 2.43 H new ATOM 0 HD21 ASN A 97 10.639 17.373 -6.278 1.00 4.00 H new ATOM 0 HD22 ASN A 97 10.417 16.361 -4.847 1.00 4.00 H new ATOM 1480 N GLY A 98 5.980 15.446 -2.505 1.00 1.20 N ATOM 1481 CA GLY A 98 5.586 14.808 -1.270 1.00 1.80 C ATOM 1482 C GLY A 98 6.323 15.415 -0.101 1.00 1.46 C ATOM 1483 O GLY A 98 7.544 15.312 -0.024 1.00 1.68 O ATOM 0 H GLY A 98 5.537 16.349 -2.677 1.00 1.20 H new ATOM 0 HA2 GLY A 98 4.511 14.916 -1.125 1.00 1.80 H new ATOM 0 HA3 GLY A 98 5.795 13.739 -1.323 1.00 1.80 H new ATOM 1487 N TYR A 99 5.576 16.060 0.789 1.00 1.07 N ATOM 1488 CA TYR A 99 6.156 16.713 1.973 1.00 0.84 C ATOM 1489 C TYR A 99 5.941 15.924 3.240 1.00 0.81 C ATOM 1490 O TYR A 99 5.190 14.945 3.280 1.00 0.96 O ATOM 1491 CB TYR A 99 5.558 18.114 2.174 1.00 1.07 C ATOM 1492 CG TYR A 99 6.188 19.182 1.310 1.00 1.57 C ATOM 1493 CD1 TYR A 99 5.691 19.460 0.043 1.00 2.28 C ATOM 1494 CD2 TYR A 99 7.281 19.912 1.760 1.00 2.37 C ATOM 1495 CE1 TYR A 99 6.264 20.436 -0.750 1.00 3.13 C ATOM 1496 CE2 TYR A 99 7.860 20.889 0.973 1.00 3.24 C ATOM 1497 CZ TYR A 99 7.348 21.147 -0.281 1.00 3.46 C ATOM 1498 OH TYR A 99 7.922 22.119 -1.068 1.00 4.47 O ATOM 0 H TYR A 99 4.562 16.149 0.718 1.00 1.07 H new ATOM 0 HA TYR A 99 7.227 16.777 1.781 1.00 0.84 H new ATOM 0 HB2 TYR A 99 4.489 18.075 1.964 1.00 1.07 H new ATOM 0 HB3 TYR A 99 5.667 18.397 3.221 1.00 1.07 H new ATOM 0 HD1 TYR A 99 4.843 18.904 -0.328 1.00 2.28 H new ATOM 0 HD2 TYR A 99 7.685 19.712 2.742 1.00 2.37 H new ATOM 0 HE1 TYR A 99 5.865 20.641 -1.732 1.00 3.13 H new ATOM 0 HE2 TYR A 99 8.709 21.448 1.338 1.00 3.24 H new ATOM 0 HH TYR A 99 8.674 22.526 -0.589 1.00 4.47 H new ATOM 1508 N ILE A 100 6.636 16.394 4.280 1.00 1.17 N ATOM 1509 CA ILE A 100 6.591 15.806 5.604 1.00 1.39 C ATOM 1510 C ILE A 100 5.204 15.933 6.241 1.00 1.13 C ATOM 1511 O ILE A 100 4.821 17.038 6.645 1.00 1.43 O ATOM 1512 CB ILE A 100 7.647 16.463 6.577 1.00 2.12 C ATOM 1513 CG1 ILE A 100 7.643 18.006 6.480 1.00 2.36 C ATOM 1514 CG2 ILE A 100 9.054 15.942 6.323 1.00 2.84 C ATOM 1515 CD1 ILE A 100 7.673 18.706 7.825 1.00 3.08 C ATOM 0 H ILE A 100 7.251 17.205 4.216 1.00 1.17 H new ATOM 0 HA ILE A 100 6.831 14.752 5.466 1.00 1.39 H new ATOM 0 HB ILE A 100 7.345 16.178 7.585 1.00 2.12 H new ATOM 0 HG12 ILE A 100 8.506 18.326 5.896 1.00 2.36 H new ATOM 0 HG13 ILE A 100 6.754 18.324 5.936 1.00 2.36 H new ATOM 0 HG21 ILE A 100 9.749 16.420 7.014 1.00 2.84 H new ATOM 0 HG22 ILE A 100 9.075 14.863 6.475 1.00 2.84 H new ATOM 0 HG23 ILE A 100 9.347 16.170 5.298 1.00 2.84 H new ATOM 0 HD11 ILE A 100 7.668 19.785 7.674 1.00 3.08 H new ATOM 0 HD12 ILE A 100 6.797 18.417 8.405 1.00 3.08 H new ATOM 0 HD13 ILE A 100 8.576 18.419 8.364 1.00 3.08 H new ATOM 1527 N SER A 101 4.389 14.856 6.219 1.00 0.79 N ATOM 1528 CA SER A 101 3.136 14.875 6.946 1.00 0.64 C ATOM 1529 C SER A 101 2.739 13.468 7.393 1.00 0.64 C ATOM 1530 O SER A 101 2.720 12.532 6.594 1.00 0.70 O ATOM 1531 CB SER A 101 2.048 15.546 6.108 1.00 0.71 C ATOM 1532 OG SER A 101 0.777 15.486 6.736 1.00 1.45 O ATOM 0 H SER A 101 4.583 13.991 5.715 1.00 0.79 H new ATOM 0 HA SER A 101 3.264 15.467 7.853 1.00 0.64 H new ATOM 0 HB2 SER A 101 2.317 16.588 5.933 1.00 0.71 H new ATOM 0 HB3 SER A 101 1.993 15.063 5.132 1.00 0.71 H new ATOM 0 HG SER A 101 0.246 16.268 6.476 1.00 1.45 H new ATOM 1538 N ALA A 102 2.446 13.338 8.696 1.00 0.72 N ATOM 1539 CA ALA A 102 1.948 12.086 9.282 1.00 0.83 C ATOM 1540 C ALA A 102 0.480 11.933 8.918 1.00 0.77 C ATOM 1541 O ALA A 102 -0.080 10.835 8.947 1.00 0.87 O ATOM 1542 CB ALA A 102 2.107 12.086 10.793 1.00 1.01 C ATOM 0 H ALA A 102 2.548 14.096 9.371 1.00 0.72 H new ATOM 0 HA ALA A 102 2.528 11.252 8.887 1.00 0.83 H new ATOM 0 HB1 ALA A 102 1.730 11.147 11.199 1.00 1.01 H new ATOM 0 HB2 ALA A 102 3.161 12.194 11.048 1.00 1.01 H new ATOM 0 HB3 ALA A 102 1.544 12.917 11.218 1.00 1.01 H new ATOM 1548 N ALA A 103 -0.115 13.083 8.557 1.00 0.68 N ATOM 1549 CA ALA A 103 -1.507 13.179 8.126 1.00 0.71 C ATOM 1550 C ALA A 103 -1.704 12.461 6.791 1.00 0.64 C ATOM 1551 O ALA A 103 -2.833 12.217 6.374 1.00 0.71 O ATOM 1552 CB ALA A 103 -1.930 14.637 8.017 1.00 0.84 C ATOM 0 H ALA A 103 0.370 13.980 8.559 1.00 0.68 H new ATOM 0 HA ALA A 103 -2.135 12.693 8.873 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -2.970 14.691 7.695 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -1.826 15.120 8.989 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -1.298 15.146 7.289 1.00 0.84 H new ATOM 1558 N GLU A 104 -0.576 12.171 6.108 1.00 0.59 N ATOM 1559 CA GLU A 104 -0.572 11.472 4.819 1.00 0.69 C ATOM 1560 C GLU A 104 -1.452 10.220 4.839 1.00 0.67 C ATOM 1561 O GLU A 104 -2.176 9.963 3.881 1.00 0.74 O ATOM 1562 CB GLU A 104 0.845 11.108 4.408 1.00 0.85 C ATOM 1563 CG GLU A 104 1.649 12.276 3.856 1.00 0.99 C ATOM 1564 CD GLU A 104 2.932 11.831 3.182 1.00 1.24 C ATOM 1565 OE1 GLU A 104 3.925 11.586 3.898 1.00 1.81 O ATOM 1566 OE2 GLU A 104 2.942 11.726 1.937 1.00 1.65 O ATOM 0 H GLU A 104 0.356 12.418 6.441 1.00 0.59 H new ATOM 0 HA GLU A 104 -0.991 12.159 4.084 1.00 0.69 H new ATOM 0 HB2 GLU A 104 1.368 10.696 5.271 1.00 0.85 H new ATOM 0 HB3 GLU A 104 0.803 10.321 3.655 1.00 0.85 H new ATOM 0 HG2 GLU A 104 1.039 12.827 3.140 1.00 0.99 H new ATOM 0 HG3 GLU A 104 1.888 12.964 4.667 1.00 0.99 H new ATOM 1573 N LEU A 105 -1.400 9.457 5.952 1.00 0.68 N ATOM 1574 CA LEU A 105 -2.219 8.247 6.128 1.00 0.80 C ATOM 1575 C LEU A 105 -3.707 8.524 6.005 1.00 0.68 C ATOM 1576 O LEU A 105 -4.504 7.632 5.699 1.00 0.69 O ATOM 1577 CB LEU A 105 -1.928 7.610 7.479 1.00 1.07 C ATOM 1578 CG LEU A 105 -0.980 6.423 7.433 1.00 1.38 C ATOM 1579 CD1 LEU A 105 0.269 6.711 8.242 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -1.688 5.166 7.929 1.00 1.81 C ATOM 0 H LEU A 105 -0.793 9.663 6.745 1.00 0.68 H new ATOM 0 HA LEU A 105 -1.948 7.562 5.325 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -1.507 8.368 8.139 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -2.870 7.288 7.923 1.00 1.07 H new ATOM 0 HG LEU A 105 -0.674 6.252 6.401 1.00 1.38 H new ATOM 0 HD11 LEU A 105 0.937 5.851 8.198 1.00 1.58 H new ATOM 0 HD12 LEU A 105 0.775 7.585 7.831 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -0.006 6.905 9.279 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -0.999 4.322 7.892 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -2.021 5.317 8.956 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -2.550 4.959 7.294 1.00 1.81 H new ATOM 1592 N ARG A 106 -4.047 9.771 6.251 1.00 0.65 N ATOM 1593 CA ARG A 106 -5.402 10.264 6.168 1.00 0.68 C ATOM 1594 C ARG A 106 -5.738 10.640 4.714 1.00 0.66 C ATOM 1595 O ARG A 106 -6.895 10.531 4.303 1.00 0.74 O ATOM 1596 CB ARG A 106 -5.499 11.445 7.131 1.00 0.79 C ATOM 1597 CG ARG A 106 -6.552 12.506 6.810 1.00 0.97 C ATOM 1598 CD ARG A 106 -6.559 13.616 7.848 1.00 1.46 C ATOM 1599 NE ARG A 106 -7.571 14.637 7.556 1.00 1.70 N ATOM 1600 CZ ARG A 106 -7.824 15.705 8.326 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -7.146 15.918 9.453 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -8.765 16.566 7.963 1.00 2.39 N ATOM 0 H ARG A 106 -3.371 10.486 6.521 1.00 0.65 H new ATOM 0 HA ARG A 106 -6.134 9.509 6.454 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -5.701 11.055 8.129 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -4.525 11.933 7.171 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.355 12.929 5.825 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -7.537 12.041 6.766 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -6.748 13.190 8.833 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -5.575 14.082 7.886 1.00 1.46 H new ATOM 0 HE ARG A 106 -8.122 14.526 6.705 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -6.420 15.263 9.743 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -7.353 16.736 10.026 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -9.291 16.414 7.103 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.963 17.381 8.544 1.00 2.39 H new ATOM 1616 N HIS A 107 -4.720 11.083 3.941 1.00 0.67 N ATOM 1617 CA HIS A 107 -4.938 11.442 2.535 1.00 0.82 C ATOM 1618 C HIS A 107 -4.797 10.222 1.627 1.00 0.87 C ATOM 1619 O HIS A 107 -5.477 10.125 0.605 1.00 1.00 O ATOM 1620 CB HIS A 107 -3.958 12.531 2.097 1.00 0.94 C ATOM 1621 CG HIS A 107 -4.194 13.859 2.753 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -3.442 14.320 3.813 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -5.103 14.828 2.490 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -3.878 15.513 4.175 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -4.884 15.844 3.387 1.00 1.46 N ATOM 0 H HIS A 107 -3.760 11.196 4.266 1.00 0.67 H new ATOM 0 HA HIS A 107 -5.955 11.824 2.446 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -2.942 12.203 2.318 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -4.025 12.653 1.016 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -5.859 14.806 1.719 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -3.480 16.115 4.978 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -5.413 16.714 3.437 1.00 1.46 H new ATOM 1634 N VAL A 108 -3.911 9.297 2.019 1.00 0.90 N ATOM 1635 CA VAL A 108 -3.661 8.060 1.272 1.00 1.11 C ATOM 1636 C VAL A 108 -4.899 7.143 1.260 1.00 0.96 C ATOM 1637 O VAL A 108 -5.158 6.460 0.264 1.00 0.99 O ATOM 1638 CB VAL A 108 -2.446 7.268 1.855 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.218 5.955 1.115 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -1.168 8.091 1.811 1.00 0.86 C ATOM 0 H VAL A 108 -3.347 9.387 2.864 1.00 0.90 H new ATOM 0 HA VAL A 108 -3.431 8.362 0.250 1.00 1.11 H new ATOM 0 HB VAL A 108 -2.695 7.050 2.894 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -1.365 5.435 1.551 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.107 5.330 1.201 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.019 6.160 0.063 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -0.345 7.508 2.224 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -0.942 8.357 0.778 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -1.300 9.000 2.399 1.00 0.86 H new ATOM 1650 N MET A 109 -5.650 7.140 2.370 1.00 0.88 N ATOM 1651 CA MET A 109 -6.835 6.288 2.502 1.00 0.80 C ATOM 1652 C MET A 109 -8.095 6.939 1.930 1.00 0.72 C ATOM 1653 O MET A 109 -8.928 6.252 1.337 1.00 0.73 O ATOM 1654 CB MET A 109 -7.011 5.842 3.979 1.00 0.80 C ATOM 1655 CG MET A 109 -7.552 6.917 4.914 1.00 1.72 C ATOM 1656 SD MET A 109 -7.857 6.302 6.581 1.00 2.24 S ATOM 1657 CE MET A 109 -8.774 7.671 7.281 1.00 3.24 C ATOM 0 H MET A 109 -5.456 7.718 3.188 1.00 0.88 H new ATOM 0 HA MET A 109 -6.675 5.395 1.898 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.684 4.985 4.007 1.00 0.80 H new ATOM 0 HB3 MET A 109 -6.047 5.503 4.358 1.00 0.80 H new ATOM 0 HG2 MET A 109 -6.842 7.743 4.960 1.00 1.72 H new ATOM 0 HG3 MET A 109 -8.479 7.316 4.503 1.00 1.72 H new ATOM 0 HE1 MET A 109 -9.098 7.414 8.289 1.00 3.24 H new ATOM 0 HE2 MET A 109 -8.137 8.554 7.319 1.00 3.24 H new ATOM 0 HE3 MET A 109 -9.646 7.879 6.662 1.00 3.24 H new ATOM 1667 N THR A 110 -8.210 8.255 2.080 1.00 0.72 N ATOM 1668 CA THR A 110 -9.366 8.994 1.556 1.00 0.77 C ATOM 1669 C THR A 110 -9.167 9.253 0.061 1.00 0.89 C ATOM 1670 O THR A 110 -10.125 9.586 -0.643 1.00 0.97 O ATOM 1671 CB THR A 110 -9.607 10.319 2.323 1.00 0.83 C ATOM 1672 OG1 THR A 110 -9.452 10.101 3.731 1.00 0.78 O ATOM 1673 CG2 THR A 110 -11.003 10.881 2.061 1.00 0.97 C ATOM 0 H THR A 110 -7.521 8.835 2.558 1.00 0.72 H new ATOM 0 HA THR A 110 -10.257 8.384 1.703 1.00 0.77 H new ATOM 0 HB THR A 110 -8.872 11.041 1.966 1.00 0.83 H new ATOM 0 HG1 THR A 110 -8.514 10.233 3.981 1.00 0.78 H new ATOM 0 HG21 THR A 110 -11.132 11.810 2.617 1.00 0.97 H new ATOM 0 HG22 THR A 110 -11.122 11.076 0.995 1.00 0.97 H new ATOM 0 HG23 THR A 110 -11.753 10.158 2.384 1.00 0.97 H new ATOM 1681 N ASN A 111 -7.905 9.124 -0.413 1.00 0.96 N ATOM 1682 CA ASN A 111 -7.603 9.234 -1.847 1.00 1.14 C ATOM 1683 C ASN A 111 -8.395 8.131 -2.549 1.00 1.13 C ATOM 1684 O ASN A 111 -8.847 8.287 -3.687 1.00 1.24 O ATOM 1685 CB ASN A 111 -6.107 9.064 -2.117 1.00 1.26 C ATOM 1686 CG ASN A 111 -5.656 9.775 -3.380 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -5.659 9.197 -4.466 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -5.265 11.037 -3.241 1.00 1.85 N ATOM 0 H ASN A 111 -7.092 8.945 0.176 1.00 0.96 H new ATOM 0 HA ASN A 111 -7.880 10.221 -2.217 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -5.543 9.448 -1.267 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -5.875 8.002 -2.200 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -4.951 11.566 -4.054 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -5.279 11.477 -2.321 1.00 1.85 H new ATOM 1695 N LEU A 112 -8.540 7.005 -1.818 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.347 5.877 -2.254 1.00 1.04 C ATOM 1697 C LEU A 112 -10.764 6.060 -1.690 1.00 0.95 C ATOM 1698 O LEU A 112 -11.718 5.419 -2.141 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.738 4.559 -1.761 1.00 1.07 C ATOM 1700 CG LEU A 112 -7.427 4.148 -2.439 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -6.510 3.454 -1.445 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -7.699 3.241 -3.632 1.00 1.54 C ATOM 0 H LEU A 112 -8.095 6.866 -0.911 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.380 5.838 -3.343 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.563 4.638 -0.688 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -9.468 3.763 -1.908 1.00 1.07 H new ATOM 0 HG LEU A 112 -6.931 5.049 -2.799 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -5.583 3.169 -1.943 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -6.286 4.132 -0.622 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.003 2.563 -1.057 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -6.755 2.961 -4.099 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -8.218 2.343 -3.296 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -8.319 3.769 -4.356 1.00 1.54 H new ATOM 1714 N GLY A 113 -10.864 6.960 -0.684 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.132 7.289 -0.037 1.00 0.82 C ATOM 1716 C GLY A 113 -12.542 6.296 1.026 1.00 0.76 C ATOM 1717 O GLY A 113 -13.732 6.066 1.262 1.00 0.82 O ATOM 0 H GLY A 113 -10.065 7.470 -0.308 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.055 8.279 0.412 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -12.914 7.342 -0.794 1.00 0.82 H new ATOM 1721 N GLU A 114 -11.532 5.721 1.655 1.00 0.70 N ATOM 1722 CA GLU A 114 -11.680 4.719 2.702 1.00 0.70 C ATOM 1723 C GLU A 114 -12.395 5.266 3.924 1.00 0.73 C ATOM 1724 O GLU A 114 -12.239 6.437 4.283 1.00 0.73 O ATOM 1725 CB GLU A 114 -10.307 4.253 3.124 1.00 0.70 C ATOM 1726 CG GLU A 114 -9.704 3.195 2.212 1.00 0.79 C ATOM 1727 CD GLU A 114 -8.341 2.727 2.684 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -7.328 3.307 2.241 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -8.287 1.780 3.496 1.00 2.12 O ATOM 0 H GLU A 114 -10.558 5.943 1.447 1.00 0.70 H new ATOM 0 HA GLU A 114 -12.277 3.901 2.298 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -9.638 5.113 3.158 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -10.365 3.854 4.137 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -10.379 2.341 2.157 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -9.617 3.597 1.203 1.00 0.79 H new ATOM 1736 N LYS A 115 -13.175 4.396 4.546 1.00 0.82 N ATOM 1737 CA LYS A 115 -13.936 4.729 5.702 1.00 0.92 C ATOM 1738 C LYS A 115 -13.404 4.020 6.934 1.00 1.06 C ATOM 1739 O LYS A 115 -13.466 2.790 7.053 1.00 1.21 O ATOM 1740 CB LYS A 115 -15.383 4.387 5.463 1.00 1.04 C ATOM 1741 CG LYS A 115 -15.997 5.137 4.283 1.00 1.05 C ATOM 1742 CD LYS A 115 -17.208 4.408 3.708 1.00 1.31 C ATOM 1743 CE LYS A 115 -16.827 3.518 2.531 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.005 2.793 1.979 1.00 1.56 N ATOM 0 H LYS A 115 -13.287 3.428 4.244 1.00 0.82 H new ATOM 0 HA LYS A 115 -13.849 5.800 5.886 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -15.471 3.315 5.288 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -15.955 4.611 6.363 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -16.294 6.136 4.603 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -15.246 5.263 3.503 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -17.671 3.802 4.487 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -17.952 5.137 3.387 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -16.375 4.126 1.747 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -16.074 2.797 2.850 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -17.704 2.199 1.180 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -18.422 2.193 2.719 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -18.713 3.480 1.651 1.00 1.56 H new ATOM 1758 N LEU A 116 -12.871 4.826 7.828 1.00 1.10 N ATOM 1759 CA LEU A 116 -12.287 4.357 9.081 1.00 1.28 C ATOM 1760 C LEU A 116 -12.780 5.209 10.247 1.00 1.19 C ATOM 1761 O LEU A 116 -13.370 6.273 10.033 1.00 1.19 O ATOM 1762 CB LEU A 116 -10.753 4.397 8.985 1.00 1.54 C ATOM 1763 CG LEU A 116 -10.090 3.146 8.390 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -10.063 3.213 6.867 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -8.680 2.983 8.940 1.00 3.12 C ATOM 0 H LEU A 116 -12.827 5.838 7.710 1.00 1.10 H new ATOM 0 HA LEU A 116 -12.599 3.328 9.259 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -10.467 5.259 8.382 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -10.349 4.559 9.984 1.00 1.54 H new ATOM 0 HG LEU A 116 -10.682 2.278 8.679 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -9.588 2.315 6.472 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -11.083 3.282 6.488 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -9.499 4.091 6.551 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -8.222 2.092 8.510 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -8.085 3.858 8.680 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -8.722 2.881 10.024 1.00 3.12 H new ATOM 1777 N THR A 117 -12.537 4.745 11.484 1.00 1.15 N ATOM 1778 CA THR A 117 -12.941 5.495 12.678 1.00 1.08 C ATOM 1779 C THR A 117 -11.968 6.656 12.905 1.00 0.99 C ATOM 1780 O THR A 117 -10.797 6.571 12.520 1.00 0.98 O ATOM 1781 CB THR A 117 -12.998 4.602 13.944 1.00 1.04 C ATOM 1782 OG1 THR A 117 -13.279 3.242 13.583 1.00 1.34 O ATOM 1783 CG2 THR A 117 -14.072 5.090 14.911 1.00 1.40 C ATOM 0 H THR A 117 -12.067 3.861 11.679 1.00 1.15 H new ATOM 0 HA THR A 117 -13.948 5.875 12.504 1.00 1.08 H new ATOM 0 HB THR A 117 -12.026 4.660 14.433 1.00 1.04 H new ATOM 0 HG1 THR A 117 -13.310 2.689 14.391 1.00 1.34 H new ATOM 0 HG21 THR A 117 -14.090 4.446 15.790 1.00 1.40 H new ATOM 0 HG22 THR A 117 -13.850 6.113 15.215 1.00 1.40 H new ATOM 0 HG23 THR A 117 -15.044 5.061 14.420 1.00 1.40 H new ATOM 1791 N ASP A 118 -12.460 7.734 13.527 1.00 1.00 N ATOM 1792 CA ASP A 118 -11.652 8.937 13.786 1.00 1.00 C ATOM 1793 C ASP A 118 -10.389 8.631 14.604 1.00 0.90 C ATOM 1794 O ASP A 118 -9.328 9.199 14.334 1.00 0.96 O ATOM 1795 CB ASP A 118 -12.502 9.994 14.502 1.00 1.07 C ATOM 1796 CG ASP A 118 -12.034 11.413 14.226 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -12.523 12.020 13.250 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -11.180 11.915 14.987 1.00 2.05 O ATOM 0 H ASP A 118 -13.421 7.800 13.863 1.00 1.00 H new ATOM 0 HA ASP A 118 -11.323 9.321 12.820 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -13.541 9.892 14.188 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -12.474 9.810 15.576 1.00 1.07 H new ATOM 1803 N GLU A 119 -10.514 7.736 15.591 1.00 0.82 N ATOM 1804 CA GLU A 119 -9.390 7.357 16.441 1.00 0.81 C ATOM 1805 C GLU A 119 -8.602 6.177 15.881 1.00 0.77 C ATOM 1806 O GLU A 119 -7.435 5.993 16.240 1.00 0.78 O ATOM 1807 CB GLU A 119 -9.860 7.052 17.867 1.00 0.89 C ATOM 1808 CG GLU A 119 -10.254 8.287 18.664 1.00 1.11 C ATOM 1809 CD GLU A 119 -10.711 7.953 20.070 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -11.923 7.723 20.262 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -9.855 7.919 20.980 1.00 2.07 O ATOM 0 H GLU A 119 -11.388 7.262 15.818 1.00 0.82 H new ATOM 0 HA GLU A 119 -8.717 8.214 16.464 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -10.712 6.374 17.821 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -9.065 6.528 18.397 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -9.405 8.968 18.714 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -11.053 8.812 18.141 1.00 1.11 H new ATOM 1818 N GLU A 120 -9.233 5.374 15.007 1.00 0.77 N ATOM 1819 CA GLU A 120 -8.578 4.237 14.384 1.00 0.80 C ATOM 1820 C GLU A 120 -7.397 4.705 13.536 1.00 0.80 C ATOM 1821 O GLU A 120 -6.302 4.143 13.630 1.00 0.81 O ATOM 1822 CB GLU A 120 -9.591 3.460 13.542 1.00 0.97 C ATOM 1823 CG GLU A 120 -10.372 2.412 14.324 1.00 1.21 C ATOM 1824 CD GLU A 120 -9.588 1.130 14.549 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -8.886 1.036 15.578 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -9.678 0.222 13.696 1.00 1.93 O ATOM 0 H GLU A 120 -10.204 5.503 14.722 1.00 0.77 H new ATOM 0 HA GLU A 120 -8.190 3.574 15.157 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -10.294 4.164 13.096 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -9.067 2.970 12.722 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -10.661 2.828 15.289 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -11.292 2.179 13.789 1.00 1.21 H new ATOM 1833 N VAL A 121 -7.631 5.738 12.708 1.00 0.84 N ATOM 1834 CA VAL A 121 -6.598 6.311 11.903 1.00 0.92 C ATOM 1835 C VAL A 121 -5.807 7.378 12.662 1.00 0.88 C ATOM 1836 O VAL A 121 -4.704 7.718 12.245 1.00 0.93 O ATOM 1837 CB VAL A 121 -7.132 6.818 10.550 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -7.311 8.307 10.523 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -6.179 6.394 9.471 1.00 2.24 C ATOM 0 H VAL A 121 -8.544 6.180 12.596 1.00 0.84 H new ATOM 0 HA VAL A 121 -5.893 5.512 11.672 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.118 6.382 10.388 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -7.689 8.610 9.547 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -8.022 8.602 11.295 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -6.352 8.792 10.708 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -6.543 6.745 8.505 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -5.195 6.822 9.666 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -6.106 5.307 9.457 1.00 2.24 H new ATOM 1849 N ASP A 122 -6.369 7.907 13.767 1.00 0.86 N ATOM 1850 CA ASP A 122 -5.661 8.913 14.568 1.00 0.95 C ATOM 1851 C ASP A 122 -4.508 8.254 15.320 1.00 0.84 C ATOM 1852 O ASP A 122 -3.557 8.916 15.739 1.00 0.89 O ATOM 1853 CB ASP A 122 -6.606 9.620 15.544 1.00 1.08 C ATOM 1854 CG ASP A 122 -6.160 11.036 15.866 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -5.396 11.212 16.838 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -6.576 11.968 15.145 1.00 1.76 O ATOM 0 H ASP A 122 -7.294 7.657 14.117 1.00 0.86 H new ATOM 0 HA ASP A 122 -5.264 9.671 13.893 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -7.609 9.647 15.118 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -6.667 9.043 16.467 1.00 1.08 H new ATOM 1861 N GLU A 123 -4.635 6.939 15.496 1.00 0.75 N ATOM 1862 CA GLU A 123 -3.616 6.127 16.126 1.00 0.73 C ATOM 1863 C GLU A 123 -2.612 5.667 15.085 1.00 0.65 C ATOM 1864 O GLU A 123 -1.409 5.684 15.336 1.00 0.65 O ATOM 1865 CB GLU A 123 -4.233 4.928 16.853 1.00 0.78 C ATOM 1866 CG GLU A 123 -4.778 5.266 18.231 1.00 0.92 C ATOM 1867 CD GLU A 123 -5.381 4.064 18.931 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -6.595 3.826 18.764 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -4.637 3.359 19.646 1.00 1.87 O ATOM 0 H GLU A 123 -5.457 6.412 15.200 1.00 0.75 H new ATOM 0 HA GLU A 123 -3.102 6.733 16.872 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -5.039 4.519 16.243 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -3.480 4.146 16.951 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -3.975 5.674 18.845 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -5.535 6.045 18.137 1.00 0.92 H new ATOM 1876 N MET A 124 -3.124 5.274 13.904 1.00 0.63 N ATOM 1877 CA MET A 124 -2.274 4.854 12.781 1.00 0.64 C ATOM 1878 C MET A 124 -1.518 6.062 12.249 1.00 0.64 C ATOM 1879 O MET A 124 -0.471 5.931 11.607 1.00 0.67 O ATOM 1880 CB MET A 124 -3.093 4.207 11.654 1.00 0.70 C ATOM 1881 CG MET A 124 -3.906 2.992 12.083 1.00 1.18 C ATOM 1882 SD MET A 124 -4.677 2.146 10.690 1.00 2.12 S ATOM 1883 CE MET A 124 -5.529 0.814 11.532 1.00 2.40 C ATOM 0 H MET A 124 -4.124 5.240 13.705 1.00 0.63 H new ATOM 0 HA MET A 124 -1.573 4.103 13.145 1.00 0.64 H new ATOM 0 HB2 MET A 124 -3.770 4.954 11.239 1.00 0.70 H new ATOM 0 HB3 MET A 124 -2.415 3.911 10.853 1.00 0.70 H new ATOM 0 HG2 MET A 124 -3.258 2.294 12.613 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.678 3.306 12.785 1.00 1.18 H new ATOM 0 HE1 MET A 124 -6.055 0.200 10.802 1.00 2.40 H new ATOM 0 HE2 MET A 124 -4.805 0.200 12.068 1.00 2.40 H new ATOM 0 HE3 MET A 124 -6.246 1.231 12.240 1.00 2.40 H new ATOM 1893 N ILE A 125 -2.084 7.241 12.535 1.00 0.65 N ATOM 1894 CA ILE A 125 -1.498 8.512 12.165 1.00 0.70 C ATOM 1895 C ILE A 125 -0.440 8.885 13.206 1.00 0.66 C ATOM 1896 O ILE A 125 0.602 9.459 12.874 1.00 0.68 O ATOM 1897 CB ILE A 125 -2.598 9.609 12.077 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -2.405 10.492 10.842 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -2.656 10.472 13.341 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -3.209 10.036 9.643 1.00 0.70 C ATOM 0 H ILE A 125 -2.969 7.328 13.034 1.00 0.65 H new ATOM 0 HA ILE A 125 -1.029 8.433 11.184 1.00 0.70 H new ATOM 0 HB ILE A 125 -3.551 9.087 11.987 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -2.685 11.516 11.090 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -1.348 10.506 10.577 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -3.438 11.223 13.233 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -2.875 9.841 14.202 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -1.696 10.967 13.488 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -3.024 10.707 8.804 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -2.912 9.023 9.370 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -4.270 10.049 9.891 1.00 0.70 H new ATOM 1912 N ARG A 126 -0.740 8.542 14.480 1.00 0.65 N ATOM 1913 CA ARG A 126 0.163 8.823 15.586 1.00 0.68 C ATOM 1914 C ARG A 126 1.255 7.792 15.712 1.00 0.64 C ATOM 1915 O ARG A 126 2.229 7.967 16.452 1.00 0.69 O ATOM 1916 CB ARG A 126 -0.583 9.024 16.908 1.00 0.76 C ATOM 1917 CG ARG A 126 -1.235 10.392 17.038 1.00 1.02 C ATOM 1918 CD ARG A 126 -1.955 10.542 18.368 1.00 1.07 C ATOM 1919 NE ARG A 126 -2.585 11.860 18.508 1.00 1.63 N ATOM 1920 CZ ARG A 126 -3.284 12.262 19.580 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -3.461 11.461 20.629 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -3.810 13.479 19.598 1.00 2.58 N ATOM 0 H ARG A 126 -1.603 8.071 14.753 1.00 0.65 H new ATOM 0 HA ARG A 126 0.649 9.769 15.349 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -1.350 8.255 17.003 1.00 0.76 H new ATOM 0 HB3 ARG A 126 0.114 8.883 17.734 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -0.476 11.168 16.945 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -1.942 10.538 16.222 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -2.715 9.766 18.458 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -1.247 10.391 19.183 1.00 1.07 H new ATOM 0 HE ARG A 126 -2.484 12.518 17.735 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -3.062 10.522 20.627 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -3.996 11.786 21.434 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -3.682 14.102 18.801 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -4.343 13.792 20.409 1.00 2.58 H new ATOM 1936 N GLU A 127 1.068 6.726 14.968 1.00 0.59 N ATOM 1937 CA GLU A 127 2.031 5.624 14.891 1.00 0.59 C ATOM 1938 C GLU A 127 3.306 6.106 14.182 1.00 0.59 C ATOM 1939 O GLU A 127 4.286 5.364 14.056 1.00 0.63 O ATOM 1940 CB GLU A 127 1.424 4.431 14.148 1.00 0.61 C ATOM 1941 CG GLU A 127 0.547 3.546 15.024 1.00 0.66 C ATOM 1942 CD GLU A 127 0.126 2.268 14.327 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -0.705 2.342 13.398 1.00 1.91 O ATOM 1944 OE2 GLU A 127 0.625 1.191 14.714 1.00 2.06 O ATOM 0 H GLU A 127 0.239 6.587 14.390 1.00 0.59 H new ATOM 0 HA GLU A 127 2.284 5.301 15.901 1.00 0.59 H new ATOM 0 HB2 GLU A 127 0.832 4.799 13.310 1.00 0.61 H new ATOM 0 HB3 GLU A 127 2.229 3.828 13.728 1.00 0.61 H new ATOM 0 HG2 GLU A 127 1.087 3.296 15.937 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -0.342 4.103 15.322 1.00 0.66 H new ATOM 1951 N ALA A 128 3.260 7.373 13.733 1.00 0.59 N ATOM 1952 CA ALA A 128 4.373 8.004 13.030 1.00 0.64 C ATOM 1953 C ALA A 128 4.837 9.294 13.727 1.00 0.63 C ATOM 1954 O ALA A 128 5.810 9.916 13.285 1.00 0.65 O ATOM 1955 CB ALA A 128 3.978 8.291 11.587 1.00 0.72 C ATOM 0 H ALA A 128 2.449 7.980 13.851 1.00 0.59 H new ATOM 0 HA ALA A 128 5.213 7.310 13.045 1.00 0.64 H new ATOM 0 HB1 ALA A 128 4.813 8.762 11.068 1.00 0.72 H new ATOM 0 HB2 ALA A 128 3.721 7.357 11.088 1.00 0.72 H new ATOM 0 HB3 ALA A 128 3.117 8.960 11.571 1.00 0.72 H new ATOM 1961 N ALA A 129 4.145 9.693 14.821 1.00 0.67 N ATOM 1962 CA ALA A 129 4.497 10.912 15.579 1.00 0.72 C ATOM 1963 C ALA A 129 5.954 10.896 16.060 1.00 0.77 C ATOM 1964 O ALA A 129 6.326 10.108 16.938 1.00 0.86 O ATOM 1965 CB ALA A 129 3.552 11.099 16.761 1.00 0.83 C ATOM 0 H ALA A 129 3.342 9.188 15.196 1.00 0.67 H new ATOM 0 HA ALA A 129 4.389 11.756 14.897 1.00 0.72 H new ATOM 0 HB1 ALA A 129 3.827 12.001 17.307 1.00 0.83 H new ATOM 0 HB2 ALA A 129 2.529 11.192 16.397 1.00 0.83 H new ATOM 0 HB3 ALA A 129 3.624 10.237 17.424 1.00 0.83 H new ATOM 1971 N ILE A 130 6.770 11.769 15.456 1.00 0.77 N ATOM 1972 CA ILE A 130 8.171 11.892 15.786 1.00 0.87 C ATOM 1973 C ILE A 130 8.417 13.146 16.626 1.00 1.01 C ATOM 1974 O ILE A 130 8.148 14.263 16.175 1.00 1.27 O ATOM 1975 CB ILE A 130 9.042 11.910 14.503 1.00 0.91 C ATOM 1976 CG1 ILE A 130 8.624 13.003 13.496 1.00 1.07 C ATOM 1977 CG2 ILE A 130 9.003 10.551 13.819 1.00 1.28 C ATOM 1978 CD1 ILE A 130 9.560 14.192 13.472 1.00 1.57 C ATOM 0 H ILE A 130 6.462 12.407 14.722 1.00 0.77 H new ATOM 0 HA ILE A 130 8.459 11.022 16.376 1.00 0.87 H new ATOM 0 HB ILE A 130 10.056 12.142 14.827 1.00 0.91 H new ATOM 0 HG12 ILE A 130 8.577 12.567 12.498 1.00 1.07 H new ATOM 0 HG13 ILE A 130 7.619 13.347 13.741 1.00 1.07 H new ATOM 0 HG21 ILE A 130 9.619 10.578 12.920 1.00 1.28 H new ATOM 0 HG22 ILE A 130 9.387 9.790 14.499 1.00 1.28 H new ATOM 0 HG23 ILE A 130 7.975 10.310 13.548 1.00 1.28 H new ATOM 0 HD11 ILE A 130 9.205 14.920 12.742 1.00 1.57 H new ATOM 0 HD12 ILE A 130 9.589 14.652 14.460 1.00 1.57 H new ATOM 0 HD13 ILE A 130 10.561 13.861 13.197 1.00 1.57 H new ATOM 1990 N ASP A 131 8.954 12.946 17.848 1.00 1.22 N ATOM 1991 CA ASP A 131 9.236 14.027 18.828 1.00 1.45 C ATOM 1992 C ASP A 131 7.969 14.783 19.275 1.00 1.44 C ATOM 1993 O ASP A 131 7.855 15.198 20.432 1.00 1.64 O ATOM 1994 CB ASP A 131 10.278 14.993 18.261 1.00 1.64 C ATOM 1995 CG ASP A 131 11.080 15.707 19.336 1.00 2.27 C ATOM 1996 OD1 ASP A 131 10.651 16.795 19.773 1.00 2.70 O ATOM 1997 OD2 ASP A 131 12.136 15.176 19.740 1.00 2.90 O ATOM 0 H ASP A 131 9.209 12.019 18.190 1.00 1.22 H new ATOM 0 HA ASP A 131 9.636 13.550 19.723 1.00 1.45 H new ATOM 0 HB2 ASP A 131 10.960 14.442 17.613 1.00 1.64 H new ATOM 0 HB3 ASP A 131 9.776 15.734 17.639 1.00 1.64 H new ATOM 2002 N GLY A 132 7.044 14.942 18.340 1.00 1.31 N ATOM 2003 CA GLY A 132 5.781 15.626 18.584 1.00 1.35 C ATOM 2004 C GLY A 132 5.235 16.320 17.342 1.00 1.46 C ATOM 2005 O GLY A 132 4.549 17.340 17.451 1.00 1.75 O ATOM 0 H GLY A 132 7.148 14.599 17.385 1.00 1.31 H new ATOM 0 HA2 GLY A 132 5.047 14.906 18.944 1.00 1.35 H new ATOM 0 HA3 GLY A 132 5.919 16.363 19.375 1.00 1.35 H new ATOM 2009 N ASP A 133 5.546 15.760 16.163 1.00 1.34 N ATOM 2010 CA ASP A 133 5.089 16.300 14.880 1.00 1.49 C ATOM 2011 C ASP A 133 4.578 15.159 13.995 1.00 1.37 C ATOM 2012 O ASP A 133 3.418 15.167 13.572 1.00 1.69 O ATOM 2013 CB ASP A 133 6.218 17.073 14.178 1.00 1.52 C ATOM 2014 CG ASP A 133 6.567 18.369 14.885 1.00 1.94 C ATOM 2015 OD1 ASP A 133 5.959 19.409 14.553 1.00 2.14 O ATOM 2016 OD2 ASP A 133 7.446 18.344 15.771 1.00 2.60 O ATOM 0 H ASP A 133 6.120 14.922 16.076 1.00 1.34 H new ATOM 0 HA ASP A 133 4.273 17.000 15.062 1.00 1.49 H new ATOM 0 HB2 ASP A 133 7.106 16.443 14.124 1.00 1.52 H new ATOM 0 HB3 ASP A 133 5.920 17.292 13.153 1.00 1.52 H new ATOM 2021 N GLY A 134 5.461 14.183 13.724 1.00 1.04 N ATOM 2022 CA GLY A 134 5.099 13.014 12.928 1.00 1.15 C ATOM 2023 C GLY A 134 5.167 13.204 11.423 1.00 1.03 C ATOM 2024 O GLY A 134 5.111 12.209 10.693 1.00 1.25 O ATOM 0 H GLY A 134 6.428 14.187 14.048 1.00 1.04 H new ATOM 0 HA2 GLY A 134 5.757 12.190 13.203 1.00 1.15 H new ATOM 0 HA3 GLY A 134 4.085 12.714 13.194 1.00 1.15 H new ATOM 2028 N GLN A 135 5.297 14.454 10.939 1.00 0.84 N ATOM 2029 CA GLN A 135 5.338 14.708 9.487 1.00 0.77 C ATOM 2030 C GLN A 135 6.517 13.969 8.832 1.00 0.74 C ATOM 2031 O GLN A 135 7.608 13.903 9.407 1.00 0.80 O ATOM 2032 CB GLN A 135 5.397 16.204 9.162 1.00 0.80 C ATOM 2033 CG GLN A 135 4.185 17.022 9.587 1.00 1.03 C ATOM 2034 CD GLN A 135 4.422 17.808 10.861 1.00 1.40 C ATOM 2035 OE1 GLN A 135 4.142 17.329 11.959 1.00 2.05 O ATOM 2036 NE2 GLN A 135 4.940 19.022 10.720 1.00 1.98 N ATOM 0 H GLN A 135 5.374 15.289 11.520 1.00 0.84 H new ATOM 0 HA GLN A 135 4.408 14.321 9.072 1.00 0.77 H new ATOM 0 HB2 GLN A 135 6.282 16.626 9.639 1.00 0.80 H new ATOM 0 HB3 GLN A 135 5.530 16.318 8.086 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.918 17.711 8.785 1.00 1.03 H new ATOM 0 HG3 GLN A 135 3.335 16.355 9.730 1.00 1.03 H new ATOM 0 HE21 GLN A 135 5.157 19.379 9.789 1.00 1.98 H new ATOM 0 HE22 GLN A 135 5.121 19.598 11.542 1.00 1.98 H new ATOM 2045 N VAL A 136 6.281 13.419 7.626 1.00 0.69 N ATOM 2046 CA VAL A 136 7.290 12.603 6.928 1.00 0.68 C ATOM 2047 C VAL A 136 7.283 12.736 5.383 1.00 0.64 C ATOM 2048 O VAL A 136 6.301 12.391 4.720 1.00 0.67 O ATOM 2049 CB VAL A 136 7.087 11.111 7.302 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.841 10.780 8.580 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.595 10.782 7.465 1.00 0.88 C ATOM 0 H VAL A 136 5.403 13.525 7.117 1.00 0.69 H new ATOM 0 HA VAL A 136 8.256 12.983 7.260 1.00 0.68 H new ATOM 0 HB VAL A 136 7.483 10.501 6.490 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.689 9.730 8.830 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.905 10.968 8.434 1.00 0.91 H new ATOM 0 HG13 VAL A 136 7.470 11.404 9.393 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.481 9.730 7.727 1.00 0.88 H new ATOM 0 HG22 VAL A 136 5.170 11.401 8.255 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.074 10.981 6.528 1.00 0.88 H new ATOM 2061 N ASN A 137 8.405 13.252 4.842 1.00 0.63 N ATOM 2062 CA ASN A 137 8.639 13.425 3.397 1.00 0.62 C ATOM 2063 C ASN A 137 9.172 12.112 2.781 1.00 0.59 C ATOM 2064 O ASN A 137 9.097 11.047 3.401 1.00 0.59 O ATOM 2065 CB ASN A 137 9.674 14.558 3.197 1.00 0.66 C ATOM 2066 CG ASN A 137 9.608 15.256 1.850 1.00 0.80 C ATOM 2067 OD1 ASN A 137 9.959 14.687 0.818 1.00 1.18 O ATOM 2068 ND2 ASN A 137 9.187 16.514 1.860 1.00 1.45 N ATOM 0 H ASN A 137 9.190 13.567 5.412 1.00 0.63 H new ATOM 0 HA ASN A 137 7.703 13.682 2.902 1.00 0.62 H new ATOM 0 HB2 ASN A 137 9.533 15.301 3.982 1.00 0.66 H new ATOM 0 HB3 ASN A 137 10.674 14.143 3.326 1.00 0.66 H new ATOM 0 HD21 ASN A 137 9.146 17.045 0.990 1.00 1.45 H new ATOM 0 HD22 ASN A 137 8.904 16.950 2.738 1.00 1.45 H new ATOM 2075 N TYR A 138 9.700 12.218 1.549 1.00 0.62 N ATOM 2076 CA TYR A 138 10.294 11.109 0.777 1.00 0.66 C ATOM 2077 C TYR A 138 11.317 10.272 1.588 1.00 0.61 C ATOM 2078 O TYR A 138 11.614 9.136 1.217 1.00 0.67 O ATOM 2079 CB TYR A 138 10.924 11.722 -0.499 1.00 0.75 C ATOM 2080 CG TYR A 138 11.977 10.895 -1.222 1.00 1.21 C ATOM 2081 CD1 TYR A 138 13.322 10.993 -0.878 1.00 1.93 C ATOM 2082 CD2 TYR A 138 11.629 10.042 -2.259 1.00 2.03 C ATOM 2083 CE1 TYR A 138 14.285 10.261 -1.544 1.00 2.59 C ATOM 2084 CE2 TYR A 138 12.587 9.305 -2.928 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.912 9.418 -2.568 1.00 2.81 C ATOM 2086 OH TYR A 138 14.868 8.685 -3.234 1.00 3.66 O ATOM 0 H TYR A 138 9.727 13.105 1.046 1.00 0.62 H new ATOM 0 HA TYR A 138 9.513 10.395 0.515 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.120 11.935 -1.203 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.373 12.678 -0.228 1.00 0.75 H new ATOM 0 HD1 TYR A 138 13.618 11.653 -0.076 1.00 1.93 H new ATOM 0 HD2 TYR A 138 10.592 9.953 -2.548 1.00 2.03 H new ATOM 0 HE1 TYR A 138 15.324 10.349 -1.264 1.00 2.59 H new ATOM 0 HE2 TYR A 138 12.298 8.642 -3.731 1.00 2.76 H new ATOM 0 HH TYR A 138 14.593 7.745 -3.271 1.00 3.66 H new ATOM 2096 N GLU A 139 11.843 10.845 2.681 1.00 0.57 N ATOM 2097 CA GLU A 139 12.845 10.178 3.529 1.00 0.60 C ATOM 2098 C GLU A 139 12.312 8.919 4.248 1.00 0.54 C ATOM 2099 O GLU A 139 12.889 7.839 4.090 1.00 0.57 O ATOM 2100 CB GLU A 139 13.408 11.167 4.559 1.00 0.68 C ATOM 2101 CG GLU A 139 14.355 12.201 3.966 1.00 0.89 C ATOM 2102 CD GLU A 139 14.893 13.163 5.007 1.00 1.36 C ATOM 2103 OE1 GLU A 139 15.953 12.867 5.597 1.00 2.24 O ATOM 2104 OE2 GLU A 139 14.255 14.213 5.232 1.00 1.61 O ATOM 0 H GLU A 139 11.588 11.779 3.002 1.00 0.57 H new ATOM 0 HA GLU A 139 13.634 9.840 2.857 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.579 11.683 5.044 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.933 10.609 5.334 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.188 11.691 3.483 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.834 12.764 3.191 1.00 0.89 H new ATOM 2111 N GLU A 140 11.223 9.054 5.028 1.00 0.51 N ATOM 2112 CA GLU A 140 10.669 7.918 5.784 1.00 0.52 C ATOM 2113 C GLU A 140 9.618 7.118 5.009 1.00 0.47 C ATOM 2114 O GLU A 140 9.496 5.907 5.218 1.00 0.49 O ATOM 2115 CB GLU A 140 10.088 8.394 7.117 1.00 0.59 C ATOM 2116 CG GLU A 140 11.147 8.680 8.172 1.00 1.02 C ATOM 2117 CD GLU A 140 10.556 8.955 9.540 1.00 1.31 C ATOM 2118 OE1 GLU A 140 10.135 7.989 10.210 1.00 1.91 O ATOM 2119 OE2 GLU A 140 10.518 10.136 9.944 1.00 2.02 O ATOM 0 H GLU A 140 10.714 9.930 5.150 1.00 0.51 H new ATOM 0 HA GLU A 140 11.504 7.240 5.963 1.00 0.52 H new ATOM 0 HB2 GLU A 140 9.502 9.297 6.947 1.00 0.59 H new ATOM 0 HB3 GLU A 140 9.403 7.636 7.497 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.825 7.829 8.239 1.00 1.02 H new ATOM 0 HG3 GLU A 140 11.742 9.538 7.859 1.00 1.02 H new ATOM 2126 N PHE A 141 8.864 7.782 4.120 1.00 0.45 N ATOM 2127 CA PHE A 141 7.820 7.106 3.330 1.00 0.43 C ATOM 2128 C PHE A 141 8.414 6.201 2.236 1.00 0.41 C ATOM 2129 O PHE A 141 7.701 5.381 1.649 1.00 0.44 O ATOM 2130 CB PHE A 141 6.861 8.132 2.726 1.00 0.45 C ATOM 2131 CG PHE A 141 5.461 8.055 3.273 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.468 7.385 2.576 1.00 1.33 C ATOM 2133 CD2 PHE A 141 5.137 8.655 4.481 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.180 7.315 3.072 1.00 1.59 C ATOM 2135 CE2 PHE A 141 3.851 8.587 4.982 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.871 7.917 4.276 1.00 1.54 C ATOM 0 H PHE A 141 8.955 8.780 3.930 1.00 0.45 H new ATOM 0 HA PHE A 141 7.263 6.460 4.009 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.256 9.132 2.904 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.827 7.991 1.646 1.00 0.45 H new ATOM 0 HD1 PHE A 141 4.704 6.912 1.634 1.00 1.33 H new ATOM 0 HD2 PHE A 141 5.899 9.182 5.037 1.00 1.55 H new ATOM 0 HE1 PHE A 141 2.416 6.790 2.519 1.00 1.59 H new ATOM 0 HE2 PHE A 141 3.612 9.057 5.925 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.865 7.864 4.665 1.00 1.54 H new ATOM 2146 N VAL A 142 9.724 6.362 1.973 1.00 0.42 N ATOM 2147 CA VAL A 142 10.449 5.536 0.995 1.00 0.44 C ATOM 2148 C VAL A 142 10.872 4.231 1.641 1.00 0.46 C ATOM 2149 O VAL A 142 10.883 3.191 0.988 1.00 0.48 O ATOM 2150 CB VAL A 142 11.693 6.271 0.441 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.921 5.361 0.335 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.383 6.915 -0.908 1.00 0.50 C ATOM 0 H VAL A 142 10.305 7.064 2.430 1.00 0.42 H new ATOM 0 HA VAL A 142 9.777 5.336 0.160 1.00 0.44 H new ATOM 0 HB VAL A 142 11.941 7.052 1.159 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.763 5.930 -0.059 1.00 0.53 H new ATOM 0 HG12 VAL A 142 13.174 4.975 1.323 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.701 4.529 -0.334 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.271 7.426 -1.280 1.00 0.50 H new ATOM 0 HG22 VAL A 142 11.084 6.145 -1.619 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.573 7.634 -0.790 1.00 0.50 H new ATOM 2162 N GLN A 143 11.241 4.312 2.929 1.00 0.49 N ATOM 2163 CA GLN A 143 11.652 3.146 3.700 1.00 0.54 C ATOM 2164 C GLN A 143 10.528 2.112 3.725 1.00 0.52 C ATOM 2165 O GLN A 143 10.775 0.904 3.788 1.00 0.57 O ATOM 2166 CB GLN A 143 12.035 3.576 5.115 1.00 0.59 C ATOM 2167 CG GLN A 143 13.049 2.665 5.806 1.00 0.64 C ATOM 2168 CD GLN A 143 14.477 2.917 5.355 1.00 0.89 C ATOM 2169 OE1 GLN A 143 14.956 2.305 4.400 1.00 1.62 O ATOM 2170 NE2 GLN A 143 15.164 3.822 6.042 1.00 1.55 N ATOM 0 H GLN A 143 11.260 5.185 3.455 1.00 0.49 H new ATOM 0 HA GLN A 143 12.522 2.687 3.231 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.442 4.586 5.076 1.00 0.59 H new ATOM 0 HB3 GLN A 143 11.132 3.620 5.724 1.00 0.59 H new ATOM 0 HG2 GLN A 143 12.984 2.810 6.884 1.00 0.64 H new ATOM 0 HG3 GLN A 143 12.789 1.625 5.608 1.00 0.64 H new ATOM 0 HE21 GLN A 143 14.728 4.306 6.827 1.00 1.55 H new ATOM 0 HE22 GLN A 143 16.128 4.034 5.785 1.00 1.55 H new ATOM 2179 N MET A 144 9.289 2.623 3.675 1.00 0.49 N ATOM 2180 CA MET A 144 8.095 1.800 3.600 1.00 0.49 C ATOM 2181 C MET A 144 8.093 1.070 2.249 1.00 0.51 C ATOM 2182 O MET A 144 7.554 -0.034 2.127 1.00 0.58 O ATOM 2183 CB MET A 144 6.843 2.689 3.754 1.00 0.52 C ATOM 2184 CG MET A 144 5.505 1.949 3.668 1.00 0.93 C ATOM 2185 SD MET A 144 4.268 2.600 4.810 1.00 2.33 S ATOM 2186 CE MET A 144 3.669 4.025 3.903 1.00 3.20 C ATOM 0 H MET A 144 9.097 3.625 3.686 1.00 0.49 H new ATOM 0 HA MET A 144 8.084 1.064 4.404 1.00 0.49 H new ATOM 0 HB2 MET A 144 6.896 3.201 4.715 1.00 0.52 H new ATOM 0 HB3 MET A 144 6.865 3.458 2.982 1.00 0.52 H new ATOM 0 HG2 MET A 144 5.123 2.016 2.649 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.666 0.892 3.879 1.00 0.93 H new ATOM 0 HE1 MET A 144 2.936 4.560 4.508 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.504 4.688 3.674 1.00 3.20 H new ATOM 0 HE3 MET A 144 3.202 3.696 2.975 1.00 3.20 H new ATOM 2196 N MET A 145 8.711 1.719 1.244 1.00 0.49 N ATOM 2197 CA MET A 145 8.809 1.157 -0.099 1.00 0.56 C ATOM 2198 C MET A 145 10.093 0.331 -0.294 1.00 0.62 C ATOM 2199 O MET A 145 10.103 -0.599 -1.106 1.00 0.75 O ATOM 2200 CB MET A 145 8.722 2.269 -1.150 1.00 0.58 C ATOM 2201 CG MET A 145 7.315 2.832 -1.330 1.00 1.52 C ATOM 2202 SD MET A 145 7.080 3.642 -2.925 1.00 2.50 S ATOM 2203 CE MET A 145 7.801 5.249 -2.608 1.00 3.22 C ATOM 0 H MET A 145 9.148 2.635 1.346 1.00 0.49 H new ATOM 0 HA MET A 145 7.967 0.477 -0.227 1.00 0.56 H new ATOM 0 HB2 MET A 145 9.395 3.079 -0.867 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.074 1.882 -2.106 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.590 2.024 -1.229 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.110 3.546 -0.532 1.00 1.52 H new ATOM 0 HE1 MET A 145 7.875 5.805 -3.542 1.00 3.22 H new ATOM 0 HE2 MET A 145 7.172 5.798 -1.908 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.796 5.124 -2.181 1.00 3.22 H new ATOM 2213 N THR A 146 11.175 0.667 0.447 1.00 0.59 N ATOM 2214 CA THR A 146 12.447 -0.044 0.331 1.00 0.68 C ATOM 2215 C THR A 146 12.473 -1.336 1.153 1.00 0.78 C ATOM 2216 O THR A 146 13.199 -2.276 0.817 1.00 0.89 O ATOM 2217 CB THR A 146 13.638 0.833 0.780 1.00 0.69 C ATOM 2218 OG1 THR A 146 13.181 1.973 1.511 1.00 0.63 O ATOM 2219 CG2 THR A 146 14.475 1.299 -0.403 1.00 0.71 C ATOM 0 H THR A 146 11.181 1.427 1.128 1.00 0.59 H new ATOM 0 HA THR A 146 12.543 -0.289 -0.727 1.00 0.68 H new ATOM 0 HB THR A 146 14.263 0.213 1.423 1.00 0.69 H new ATOM 0 HG1 THR A 146 12.557 2.488 0.958 1.00 0.63 H new ATOM 0 HG21 THR A 146 15.302 1.912 -0.045 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.870 0.432 -0.933 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.854 1.886 -1.079 1.00 0.71 H new ATOM 2227 N ALA A 147 11.676 -1.368 2.228 1.00 0.77 N ATOM 2228 CA ALA A 147 11.583 -2.525 3.109 1.00 0.88 C ATOM 2229 C ALA A 147 10.595 -3.563 2.577 1.00 0.94 C ATOM 2230 O ALA A 147 9.509 -3.213 2.107 1.00 0.91 O ATOM 2231 CB ALA A 147 11.186 -2.088 4.511 1.00 0.90 C ATOM 0 H ALA A 147 11.079 -0.589 2.507 1.00 0.77 H new ATOM 0 HA ALA A 147 12.566 -2.994 3.145 1.00 0.88 H new ATOM 0 HB1 ALA A 147 11.120 -2.962 5.159 1.00 0.90 H new ATOM 0 HB2 ALA A 147 11.935 -1.401 4.904 1.00 0.90 H new ATOM 0 HB3 ALA A 147 10.218 -1.588 4.476 1.00 0.90 H new ATOM 2237 N LYS A 148 10.988 -4.838 2.660 1.00 1.08 N ATOM 2238 CA LYS A 148 10.152 -5.948 2.191 1.00 1.19 C ATOM 2239 C LYS A 148 9.423 -6.617 3.358 1.00 1.63 C ATOM 2240 O LYS A 148 10.106 -7.174 4.246 1.00 2.21 O ATOM 2241 CB LYS A 148 10.967 -6.996 1.390 1.00 1.53 C ATOM 2242 CG LYS A 148 12.383 -7.264 1.905 1.00 2.17 C ATOM 2243 CD LYS A 148 13.373 -6.270 1.320 1.00 2.29 C ATOM 2244 CE LYS A 148 14.721 -6.342 2.018 1.00 3.11 C ATOM 2245 NZ LYS A 148 15.693 -5.366 1.452 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.175 -6.576 3.374 1.00 2.14 O ATOM 0 H LYS A 148 11.885 -5.128 3.050 1.00 1.08 H new ATOM 0 HA LYS A 148 9.411 -5.522 1.514 1.00 1.19 H new ATOM 0 HB2 LYS A 148 10.415 -7.936 1.389 1.00 1.53 H new ATOM 0 HB3 LYS A 148 11.033 -6.664 0.354 1.00 1.53 H new ATOM 0 HG2 LYS A 148 12.396 -7.199 2.993 1.00 2.17 H new ATOM 0 HG3 LYS A 148 12.683 -8.279 1.643 1.00 2.17 H new ATOM 0 HD2 LYS A 148 13.503 -6.469 0.256 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.971 -5.261 1.409 1.00 2.29 H new ATOM 0 HE2 LYS A 148 14.589 -6.147 3.082 1.00 3.11 H new ATOM 0 HE3 LYS A 148 15.124 -7.351 1.926 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 16.599 -5.447 1.955 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 15.839 -5.567 0.442 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 15.321 -4.401 1.563 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 9.615 9.901 38.721 1.00 0.00 N ATOM 2262 CA ALA B 503 9.544 8.418 38.758 1.00 0.00 C ATOM 2263 C ALA B 503 8.099 7.942 38.866 1.00 0.00 C ATOM 2264 O ALA B 503 7.336 8.440 39.699 1.00 0.00 O ATOM 2265 CB ALA B 503 10.364 7.880 39.921 1.00 0.00 C ATOM 0 HA ALA B 503 9.959 8.035 37.826 1.00 0.00 H new ATOM 0 HB1 ALA B 503 10.303 6.792 39.936 1.00 0.00 H new ATOM 0 HB2 ALA B 503 11.404 8.184 39.804 1.00 0.00 H new ATOM 0 HB3 ALA B 503 9.973 8.278 40.857 1.00 0.00 H new ATOM 2273 N GLY B 504 7.738 6.976 38.015 1.00 0.00 N ATOM 2274 CA GLY B 504 6.388 6.431 38.012 1.00 0.00 C ATOM 2275 C GLY B 504 6.315 5.065 37.360 1.00 0.00 C ATOM 2276 O GLY B 504 6.210 4.048 38.053 1.00 0.00 O ATOM 0 H GLY B 504 8.363 6.561 37.324 1.00 0.00 H new ATOM 0 HA2 GLY B 504 6.026 6.360 39.038 1.00 0.00 H new ATOM 0 HA3 GLY B 504 5.724 7.117 37.486 1.00 0.00 H new ATOM 2280 N HIS B 505 6.372 5.047 36.025 1.00 0.00 N ATOM 2281 CA HIS B 505 6.312 3.802 35.255 1.00 0.00 C ATOM 2282 C HIS B 505 7.710 3.348 34.828 1.00 0.00 C ATOM 2283 O HIS B 505 8.029 2.159 34.912 1.00 0.00 O ATOM 2284 CB HIS B 505 5.417 3.974 34.022 1.00 0.00 C ATOM 2285 CG HIS B 505 3.962 4.126 34.348 1.00 0.00 C ATOM 2286 ND1 HIS B 505 3.318 5.346 34.366 1.00 0.00 N ATOM 2287 CD2 HIS B 505 3.024 3.203 34.667 1.00 0.00 C ATOM 2288 CE1 HIS B 505 2.048 5.166 34.683 1.00 0.00 C ATOM 2289 NE2 HIS B 505 1.845 3.875 34.870 1.00 0.00 N ATOM 0 H HIS B 505 6.460 5.887 35.453 1.00 0.00 H new ATOM 0 HA HIS B 505 5.884 3.034 35.899 1.00 0.00 H new ATOM 0 HB2 HIS B 505 5.748 4.849 33.463 1.00 0.00 H new ATOM 0 HB3 HIS B 505 5.545 3.111 33.368 1.00 0.00 H new ATOM 0 HD2 HIS B 505 3.176 2.137 34.747 1.00 0.00 H new ATOM 0 HE1 HIS B 505 1.303 5.943 34.774 1.00 0.00 H new ATOM 0 HE2 HIS B 505 0.955 3.446 35.124 1.00 0.00 H new ATOM 2298 N MET B 506 8.538 4.317 34.369 1.00 0.00 N ATOM 2299 CA MET B 506 9.933 4.082 33.907 1.00 0.00 C ATOM 2300 C MET B 506 9.990 3.329 32.569 1.00 0.00 C ATOM 2301 O MET B 506 10.692 3.756 31.648 1.00 0.00 O ATOM 2302 CB MET B 506 10.785 3.348 34.966 1.00 0.00 C ATOM 2303 CG MET B 506 11.105 4.193 36.190 1.00 0.00 C ATOM 2304 SD MET B 506 12.103 3.308 37.403 1.00 0.00 S ATOM 2305 CE MET B 506 12.286 4.560 38.670 1.00 0.00 C ATOM 0 H MET B 506 8.256 5.295 34.307 1.00 0.00 H new ATOM 0 HA MET B 506 10.361 5.073 33.753 1.00 0.00 H new ATOM 0 HB2 MET B 506 10.257 2.449 35.284 1.00 0.00 H new ATOM 0 HB3 MET B 506 11.718 3.023 34.506 1.00 0.00 H new ATOM 0 HG2 MET B 506 11.634 5.093 35.877 1.00 0.00 H new ATOM 0 HG3 MET B 506 10.175 4.516 36.657 1.00 0.00 H new ATOM 0 HE1 MET B 506 12.882 4.162 39.491 1.00 0.00 H new ATOM 0 HE2 MET B 506 12.785 5.433 38.249 1.00 0.00 H new ATOM 0 HE3 MET B 506 11.303 4.848 39.042 1.00 0.00 H new ATOM 2315 N ARG B 507 9.252 2.216 32.474 1.00 0.00 N ATOM 2316 CA ARG B 507 9.218 1.405 31.257 1.00 0.00 C ATOM 2317 C ARG B 507 7.773 1.291 30.719 1.00 0.00 C ATOM 2318 O ARG B 507 6.998 0.457 31.204 1.00 0.00 O ATOM 2319 CB ARG B 507 9.812 0.011 31.538 1.00 0.00 C ATOM 2320 CG ARG B 507 10.455 -0.658 30.323 1.00 0.00 C ATOM 2321 CD ARG B 507 11.910 -0.241 30.149 1.00 0.00 C ATOM 2322 NE ARG B 507 12.534 -0.891 28.991 1.00 0.00 N ATOM 2323 CZ ARG B 507 13.826 -0.773 28.653 1.00 0.00 C ATOM 2324 NH1 ARG B 507 14.662 -0.029 29.376 1.00 0.00 N ATOM 2325 NH2 ARG B 507 14.283 -1.407 27.582 1.00 0.00 N ATOM 0 H ARG B 507 8.669 1.858 33.231 1.00 0.00 H new ATOM 0 HA ARG B 507 9.822 1.892 30.492 1.00 0.00 H new ATOM 0 HB2 ARG B 507 10.559 0.100 32.326 1.00 0.00 H new ATOM 0 HB3 ARG B 507 9.023 -0.637 31.919 1.00 0.00 H new ATOM 0 HG2 ARG B 507 10.398 -1.741 30.432 1.00 0.00 H new ATOM 0 HG3 ARG B 507 9.893 -0.398 29.426 1.00 0.00 H new ATOM 0 HD2 ARG B 507 11.965 0.841 30.030 1.00 0.00 H new ATOM 0 HD3 ARG B 507 12.469 -0.492 31.050 1.00 0.00 H new ATOM 0 HE ARG B 507 11.942 -1.475 28.400 1.00 0.00 H new ATOM 0 HH11 ARG B 507 14.322 0.463 30.202 1.00 0.00 H new ATOM 0 HH12 ARG B 507 15.642 0.049 29.103 1.00 0.00 H new ATOM 0 HH21 ARG B 507 13.653 -1.980 27.021 1.00 0.00 H new ATOM 0 HH22 ARG B 507 15.265 -1.322 27.319 1.00 0.00 H new ATOM 2339 N PRO B 508 7.371 2.143 29.720 1.00 0.00 N ATOM 2340 CA PRO B 508 6.016 2.102 29.133 1.00 0.00 C ATOM 2341 C PRO B 508 5.815 0.910 28.195 1.00 0.00 C ATOM 2342 O PRO B 508 6.765 0.453 27.552 1.00 0.00 O ATOM 2343 CB PRO B 508 5.910 3.415 28.337 1.00 0.00 C ATOM 2344 CG PRO B 508 7.122 4.214 28.689 1.00 0.00 C ATOM 2345 CD PRO B 508 8.171 3.225 29.104 1.00 0.00 C ATOM 0 HA PRO B 508 5.257 1.994 29.908 1.00 0.00 H new ATOM 0 HB2 PRO B 508 5.871 3.219 27.266 1.00 0.00 H new ATOM 0 HB3 PRO B 508 4.999 3.955 28.596 1.00 0.00 H new ATOM 0 HG2 PRO B 508 7.459 4.805 27.837 1.00 0.00 H new ATOM 0 HG3 PRO B 508 6.906 4.914 29.496 1.00 0.00 H new ATOM 0 HD2 PRO B 508 8.749 2.867 28.252 1.00 0.00 H new ATOM 0 HD3 PRO B 508 8.879 3.658 29.811 1.00 0.00 H new ATOM 2353 N LYS B 509 4.574 0.418 28.130 1.00 0.00 N ATOM 2354 CA LYS B 509 4.228 -0.720 27.278 1.00 0.00 C ATOM 2355 C LYS B 509 3.017 -0.388 26.401 1.00 0.00 C ATOM 2356 O LYS B 509 1.918 -0.140 26.910 1.00 0.00 O ATOM 2357 CB LYS B 509 3.948 -1.960 28.140 1.00 0.00 C ATOM 2358 CG LYS B 509 4.284 -3.279 27.458 1.00 0.00 C ATOM 2359 CD LYS B 509 3.999 -4.464 28.367 1.00 0.00 C ATOM 2360 CE LYS B 509 4.340 -5.781 27.690 1.00 0.00 C ATOM 2361 NZ LYS B 509 4.068 -6.948 28.575 1.00 0.00 N ATOM 0 H LYS B 509 3.789 0.794 28.662 1.00 0.00 H new ATOM 0 HA LYS B 509 5.073 -0.935 26.623 1.00 0.00 H new ATOM 0 HB2 LYS B 509 4.522 -1.884 29.064 1.00 0.00 H new ATOM 0 HB3 LYS B 509 2.894 -1.965 28.419 1.00 0.00 H new ATOM 0 HG2 LYS B 509 3.703 -3.374 26.541 1.00 0.00 H new ATOM 0 HG3 LYS B 509 5.335 -3.284 27.171 1.00 0.00 H new ATOM 0 HD2 LYS B 509 4.577 -4.366 29.286 1.00 0.00 H new ATOM 0 HD3 LYS B 509 2.947 -4.461 28.650 1.00 0.00 H new ATOM 0 HE2 LYS B 509 3.760 -5.878 26.772 1.00 0.00 H new ATOM 0 HE3 LYS B 509 5.392 -5.780 27.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 4.314 -7.827 28.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 4.641 -6.869 29.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 3.059 -6.964 28.828 1.00 0.00 H new ATOM 2375 N ARG B 510 3.239 -0.374 25.081 1.00 0.00 N ATOM 2376 CA ARG B 510 2.182 -0.076 24.107 1.00 0.00 C ATOM 2377 C ARG B 510 2.284 -0.995 22.894 1.00 0.00 C ATOM 2378 O ARG B 510 3.380 -1.430 22.526 1.00 0.00 O ATOM 2379 CB ARG B 510 2.256 1.389 23.654 1.00 0.00 C ATOM 2380 CG ARG B 510 1.785 2.384 24.707 1.00 0.00 C ATOM 2381 CD ARG B 510 1.846 3.818 24.199 1.00 0.00 C ATOM 2382 NE ARG B 510 3.222 4.329 24.135 1.00 0.00 N ATOM 2383 CZ ARG B 510 3.557 5.581 23.791 1.00 0.00 C ATOM 2384 NH1 ARG B 510 2.627 6.480 23.472 1.00 0.00 N ATOM 2385 NH2 ARG B 510 4.835 5.934 23.766 1.00 0.00 N ATOM 0 H ARG B 510 4.148 -0.567 24.661 1.00 0.00 H new ATOM 0 HA ARG B 510 1.223 -0.247 24.597 1.00 0.00 H new ATOM 0 HB2 ARG B 510 3.285 1.623 23.381 1.00 0.00 H new ATOM 0 HB3 ARG B 510 1.652 1.512 22.755 1.00 0.00 H new ATOM 0 HG2 ARG B 510 0.763 2.146 25.000 1.00 0.00 H new ATOM 0 HG3 ARG B 510 2.403 2.288 25.600 1.00 0.00 H new ATOM 0 HD2 ARG B 510 1.395 3.869 23.208 1.00 0.00 H new ATOM 0 HD3 ARG B 510 1.253 4.458 24.852 1.00 0.00 H new ATOM 0 HE ARG B 510 3.977 3.685 24.369 1.00 0.00 H new ATOM 0 HH11 ARG B 510 1.641 6.221 23.487 1.00 0.00 H new ATOM 0 HH12 ARG B 510 2.901 7.428 23.213 1.00 0.00 H new ATOM 0 HH21 ARG B 510 5.557 5.255 24.008 1.00 0.00 H new ATOM 0 HH22 ARG B 510 5.096 6.885 23.505 1.00 0.00 H new ATOM 2399 N ARG B 511 1.132 -1.283 22.280 1.00 0.00 N ATOM 2400 CA ARG B 511 1.069 -2.150 21.103 1.00 0.00 C ATOM 2401 C ARG B 511 0.854 -1.320 19.837 1.00 0.00 C ATOM 2402 O ARG B 511 -0.049 -0.480 19.783 1.00 0.00 O ATOM 2403 CB ARG B 511 -0.060 -3.177 21.263 1.00 0.00 C ATOM 2404 CG ARG B 511 0.203 -4.502 20.556 1.00 0.00 C ATOM 2405 CD ARG B 511 -0.966 -5.466 20.706 1.00 0.00 C ATOM 2406 NE ARG B 511 -2.113 -5.085 19.871 1.00 0.00 N ATOM 2407 CZ ARG B 511 -3.258 -5.778 19.782 1.00 0.00 C ATOM 2408 NH1 ARG B 511 -3.437 -6.904 20.472 1.00 0.00 N ATOM 2409 NH2 ARG B 511 -4.229 -5.339 18.994 1.00 0.00 N ATOM 0 H ARG B 511 0.226 -0.925 22.582 1.00 0.00 H new ATOM 0 HA ARG B 511 2.017 -2.680 21.011 1.00 0.00 H new ATOM 0 HB2 ARG B 511 -0.216 -3.368 22.325 1.00 0.00 H new ATOM 0 HB3 ARG B 511 -0.985 -2.748 20.877 1.00 0.00 H new ATOM 0 HG2 ARG B 511 0.389 -4.318 19.498 1.00 0.00 H new ATOM 0 HG3 ARG B 511 1.105 -4.959 20.964 1.00 0.00 H new ATOM 0 HD2 ARG B 511 -0.642 -6.471 20.437 1.00 0.00 H new ATOM 0 HD3 ARG B 511 -1.275 -5.499 21.751 1.00 0.00 H new ATOM 0 HE ARG B 511 -2.033 -4.231 19.319 1.00 0.00 H new ATOM 0 HH11 ARG B 511 -2.696 -7.252 21.081 1.00 0.00 H new ATOM 0 HH12 ARG B 511 -4.315 -7.417 20.391 1.00 0.00 H new ATOM 0 HH21 ARG B 511 -4.103 -4.479 18.460 1.00 0.00 H new ATOM 0 HH22 ARG B 511 -5.102 -5.861 18.922 1.00 0.00 H new ATOM 2423 N GLU B 512 1.695 -1.567 18.826 1.00 0.00 N ATOM 2424 CA GLU B 512 1.617 -0.854 17.548 1.00 0.00 C ATOM 2425 C GLU B 512 1.674 -1.829 16.376 1.00 0.00 C ATOM 2426 O GLU B 512 2.352 -2.858 16.450 1.00 0.00 O ATOM 2427 CB GLU B 512 2.755 0.167 17.428 1.00 0.00 C ATOM 2428 CG GLU B 512 2.588 1.387 18.322 1.00 0.00 C ATOM 2429 CD GLU B 512 3.737 2.367 18.192 1.00 0.00 C ATOM 2430 OE1 GLU B 512 4.722 2.232 18.948 1.00 0.00 O ATOM 2431 OE2 GLU B 512 3.652 3.271 17.334 1.00 0.00 O ATOM 0 H GLU B 512 2.442 -2.260 18.870 1.00 0.00 H new ATOM 0 HA GLU B 512 0.663 -0.327 17.519 1.00 0.00 H new ATOM 0 HB2 GLU B 512 3.697 -0.324 17.672 1.00 0.00 H new ATOM 0 HB3 GLU B 512 2.827 0.496 16.391 1.00 0.00 H new ATOM 0 HG2 GLU B 512 1.655 1.892 18.071 1.00 0.00 H new ATOM 0 HG3 GLU B 512 2.507 1.064 19.360 1.00 0.00 H new ATOM 2438 N ILE B 513 0.955 -1.493 15.300 1.00 0.00 N ATOM 2439 CA ILE B 513 0.914 -2.330 14.094 1.00 0.00 C ATOM 2440 C ILE B 513 1.576 -1.618 12.895 1.00 0.00 C ATOM 2441 O ILE B 513 1.642 -0.386 12.883 1.00 0.00 O ATOM 2442 CB ILE B 513 -0.538 -2.764 13.716 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -1.550 -1.601 13.814 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -0.985 -3.919 14.599 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -1.705 -0.812 12.529 1.00 0.00 C ATOM 0 H ILE B 513 0.392 -0.645 15.239 1.00 0.00 H new ATOM 0 HA ILE B 513 1.480 -3.231 14.330 1.00 0.00 H new ATOM 0 HB ILE B 513 -0.515 -3.083 12.674 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -2.522 -2.001 14.103 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -1.235 -0.924 14.609 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -1.999 -4.214 14.327 1.00 0.00 H new ATOM 0 HG22 ILE B 513 -0.312 -4.765 14.460 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -0.966 -3.607 15.643 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -2.432 -0.014 12.678 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -0.744 -0.380 12.249 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -2.051 -1.474 11.735 1.00 0.00 H new ATOM 2457 N PRO B 514 2.077 -2.371 11.862 1.00 0.00 N ATOM 2458 CA PRO B 514 2.726 -1.769 10.684 1.00 0.00 C ATOM 2459 C PRO B 514 1.726 -1.281 9.630 1.00 0.00 C ATOM 2460 O PRO B 514 0.774 -1.991 9.292 1.00 0.00 O ATOM 2461 CB PRO B 514 3.579 -2.915 10.107 1.00 0.00 C ATOM 2462 CG PRO B 514 3.353 -4.106 10.992 1.00 0.00 C ATOM 2463 CD PRO B 514 2.082 -3.845 11.748 1.00 0.00 C ATOM 0 HA PRO B 514 3.298 -0.884 10.963 1.00 0.00 H new ATOM 0 HB2 PRO B 514 3.288 -3.135 9.080 1.00 0.00 H new ATOM 0 HB3 PRO B 514 4.634 -2.641 10.088 1.00 0.00 H new ATOM 0 HG2 PRO B 514 3.272 -5.018 10.401 1.00 0.00 H new ATOM 0 HG3 PRO B 514 4.190 -4.244 11.677 1.00 0.00 H new ATOM 0 HD2 PRO B 514 1.208 -4.214 11.212 1.00 0.00 H new ATOM 0 HD3 PRO B 514 2.084 -4.328 12.725 1.00 0.00 H new ATOM 2471 N LEU B 515 1.957 -0.064 9.126 1.00 0.00 N ATOM 2472 CA LEU B 515 1.099 0.533 8.098 1.00 0.00 C ATOM 2473 C LEU B 515 1.776 0.472 6.719 1.00 0.00 C ATOM 2474 O LEU B 515 1.355 1.154 5.778 1.00 0.00 O ATOM 2475 CB LEU B 515 0.713 1.973 8.501 1.00 0.00 C ATOM 2476 CG LEU B 515 1.798 3.053 8.377 1.00 0.00 C ATOM 2477 CD1 LEU B 515 1.682 3.782 7.038 1.00 0.00 C ATOM 2478 CD2 LEU B 515 1.731 3.992 9.574 1.00 0.00 C ATOM 0 H LEU B 515 2.735 0.529 9.415 1.00 0.00 H new ATOM 0 HA LEU B 515 0.177 -0.044 8.021 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -0.138 2.278 7.891 1.00 0.00 H new ATOM 0 HB3 LEU B 515 0.373 1.954 9.536 1.00 0.00 H new ATOM 0 HG LEU B 515 2.784 2.588 8.388 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.459 4.543 6.970 1.00 0.00 H new ATOM 0 HD12 LEU B 515 1.801 3.068 6.223 1.00 0.00 H new ATOM 0 HD13 LEU B 515 0.703 4.256 6.965 1.00 0.00 H new ATOM 0 HD21 LEU B 515 2.503 4.756 9.481 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.751 4.468 9.608 1.00 0.00 H new ATOM 0 HD23 LEU B 515 1.891 3.425 10.491 1.00 0.00 H new ATOM 2490 N LYS B 516 2.806 -0.384 6.603 1.00 0.00 N ATOM 2491 CA LYS B 516 3.562 -0.549 5.354 1.00 0.00 C ATOM 2492 C LYS B 516 2.740 -1.322 4.307 1.00 0.00 C ATOM 2493 O LYS B 516 3.090 -2.438 3.898 1.00 0.00 O ATOM 2494 CB LYS B 516 4.907 -1.251 5.626 1.00 0.00 C ATOM 2495 CG LYS B 516 5.853 -0.465 6.528 1.00 0.00 C ATOM 2496 CD LYS B 516 7.196 -1.162 6.667 1.00 0.00 C ATOM 2497 CE LYS B 516 8.139 -0.379 7.567 1.00 0.00 C ATOM 2498 NZ LYS B 516 9.464 -1.045 7.697 1.00 0.00 N ATOM 0 H LYS B 516 3.134 -0.975 7.367 1.00 0.00 H new ATOM 0 HA LYS B 516 3.768 0.441 4.948 1.00 0.00 H new ATOM 0 HB2 LYS B 516 4.711 -2.222 6.082 1.00 0.00 H new ATOM 0 HB3 LYS B 516 5.404 -1.440 4.675 1.00 0.00 H new ATOM 0 HG2 LYS B 516 6.001 0.534 6.119 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.401 -0.343 7.513 1.00 0.00 H new ATOM 0 HD2 LYS B 516 7.048 -2.162 7.075 1.00 0.00 H new ATOM 0 HD3 LYS B 516 7.648 -1.283 5.683 1.00 0.00 H new ATOM 0 HE2 LYS B 516 8.275 0.625 7.164 1.00 0.00 H new ATOM 0 HE3 LYS B 516 7.690 -0.268 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 9.788 -0.984 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 9.379 -2.044 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 10.152 -0.572 7.077 1.00 0.00 H new ATOM 2512 N VAL B 517 1.631 -0.701 3.896 1.00 0.00 N ATOM 2513 CA VAL B 517 0.714 -1.277 2.908 1.00 0.00 C ATOM 2514 C VAL B 517 -0.001 -0.197 2.101 1.00 0.00 C ATOM 2515 O VAL B 517 -0.271 -0.369 0.915 1.00 0.00 O ATOM 2516 CB VAL B 517 -0.344 -2.221 3.561 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -1.199 -1.475 4.592 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -1.208 -2.866 2.474 1.00 0.00 C ATOM 0 H VAL B 517 1.343 0.216 4.239 1.00 0.00 H new ATOM 0 HA VAL B 517 1.335 -1.869 2.236 1.00 0.00 H new ATOM 0 HB VAL B 517 0.180 -3.011 4.099 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -1.925 -2.161 5.027 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.557 -1.079 5.379 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -1.723 -0.654 4.104 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -1.944 -3.523 2.937 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -1.721 -2.089 1.908 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -0.575 -3.446 1.802 1.00 0.00 H new ATOM 2528 N LEU B 518 -0.313 0.896 2.777 1.00 0.00 N ATOM 2529 CA LEU B 518 -1.009 2.038 2.202 1.00 0.00 C ATOM 2530 C LEU B 518 -0.292 2.626 0.967 1.00 0.00 C ATOM 2531 O LEU B 518 -0.788 3.549 0.322 1.00 0.00 O ATOM 2532 CB LEU B 518 -1.193 3.073 3.310 1.00 0.00 C ATOM 2533 CG LEU B 518 -2.311 2.794 4.357 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -3.410 1.843 3.848 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -1.698 2.255 5.638 1.00 0.00 C ATOM 0 H LEU B 518 -0.085 1.018 3.764 1.00 0.00 H new ATOM 0 HA LEU B 518 -1.979 1.715 1.824 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -0.247 3.172 3.842 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -1.398 4.036 2.843 1.00 0.00 H new ATOM 0 HG LEU B 518 -2.802 3.748 4.549 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.154 1.695 4.631 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -3.888 2.277 2.970 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -2.967 0.883 3.583 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -2.486 2.062 6.366 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -1.166 1.328 5.425 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -1.001 2.988 6.044 1.00 0.00 H new ATOM 2547 N VAL B 519 0.862 2.043 0.651 1.00 0.00 N ATOM 2548 CA VAL B 519 1.683 2.421 -0.500 1.00 0.00 C ATOM 2549 C VAL B 519 2.243 1.149 -1.128 1.00 0.00 C ATOM 2550 O VAL B 519 2.426 1.083 -2.347 1.00 0.00 O ATOM 2551 CB VAL B 519 2.821 3.413 -0.109 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.773 3.687 -1.276 1.00 0.00 C ATOM 2553 CG2 VAL B 519 2.243 4.736 0.388 1.00 0.00 C ATOM 0 H VAL B 519 1.262 1.280 1.197 1.00 0.00 H new ATOM 0 HA VAL B 519 1.063 2.949 -1.224 1.00 0.00 H new ATOM 0 HB VAL B 519 3.387 2.937 0.691 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.549 4.383 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL B 519 4.233 2.753 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL B 519 3.216 4.121 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL B 519 3.056 5.411 0.655 1.00 0.00 H new ATOM 0 HG22 VAL B 519 1.639 5.188 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL B 519 1.620 4.555 1.264 1.00 0.00 H new ATOM 2563 N LYS B 520 2.517 0.143 -0.283 1.00 0.00 N ATOM 2564 CA LYS B 520 2.991 -1.149 -0.740 1.00 0.00 C ATOM 2565 C LYS B 520 1.916 -1.869 -1.552 1.00 0.00 C ATOM 2566 O LYS B 520 2.217 -2.750 -2.363 1.00 0.00 O ATOM 2567 CB LYS B 520 3.412 -1.991 0.454 1.00 0.00 C ATOM 2568 CG LYS B 520 4.853 -2.466 0.368 1.00 0.00 C ATOM 2569 CD LYS B 520 5.128 -3.291 -0.896 1.00 0.00 C ATOM 2570 CE LYS B 520 6.621 -3.511 -1.106 1.00 0.00 C ATOM 2571 NZ LYS B 520 7.185 -4.499 -0.143 1.00 0.00 N ATOM 0 H LYS B 520 2.413 0.213 0.729 1.00 0.00 H new ATOM 0 HA LYS B 520 3.852 -0.996 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.281 -1.409 1.366 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.754 -2.857 0.531 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.518 -1.602 0.386 1.00 0.00 H new ATOM 0 HG3 LYS B 520 5.087 -3.066 1.247 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.625 -4.255 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.709 -2.781 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.796 -3.858 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS B 520 7.145 -2.561 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.868 -4.024 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 6.417 -4.904 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 7.665 -5.259 -0.666 1.00 0.00 H new ATOM 2585 N ALA B 521 0.656 -1.471 -1.313 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.494 -1.989 -2.044 1.00 0.00 C ATOM 2587 C ALA B 521 -0.684 -1.152 -3.309 1.00 0.00 C ATOM 2588 O ALA B 521 -1.761 -1.098 -3.916 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.732 -1.938 -1.173 1.00 0.00 C ATOM 0 H ALA B 521 0.414 -0.779 -0.604 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.324 -3.030 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.585 -2.327 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.574 -2.543 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -1.929 -0.906 -0.881 1.00 0.00 H new ATOM 2595 N VAL B 522 0.427 -0.528 -3.689 1.00 0.00 N ATOM 2596 CA VAL B 522 0.516 0.357 -4.828 1.00 0.00 C ATOM 2597 C VAL B 522 1.802 0.068 -5.601 1.00 0.00 C ATOM 2598 O VAL B 522 1.856 0.321 -6.808 1.00 0.00 O ATOM 2599 CB VAL B 522 0.441 1.875 -4.474 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.110 2.671 -5.657 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -0.418 2.130 -3.240 1.00 0.00 C ATOM 0 H VAL B 522 1.312 -0.633 -3.193 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.363 0.151 -5.439 1.00 0.00 H new ATOM 0 HB VAL B 522 1.456 2.205 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.156 3.728 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.543 2.540 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.110 2.314 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -0.443 3.199 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.431 1.772 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL B 522 0.006 1.601 -2.386 1.00 0.00 H new ATOM 2611 N LEU B 523 2.848 -0.475 -4.912 1.00 0.00 N ATOM 2612 CA LEU B 523 4.097 -0.829 -5.584 1.00 0.00 C ATOM 2613 C LEU B 523 3.856 -2.009 -6.513 1.00 0.00 C ATOM 2614 O LEU B 523 4.663 -2.299 -7.401 1.00 0.00 O ATOM 2615 CB LEU B 523 5.191 -1.172 -4.574 1.00 0.00 C ATOM 2616 CG LEU B 523 5.913 0.027 -3.956 1.00 0.00 C ATOM 2617 CD1 LEU B 523 6.714 -0.413 -2.744 1.00 0.00 C ATOM 2618 CD2 LEU B 523 6.825 0.707 -4.973 1.00 0.00 C ATOM 0 H LEU B 523 2.836 -0.667 -3.910 1.00 0.00 H new ATOM 0 HA LEU B 523 4.434 0.031 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.749 -1.762 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.930 -1.806 -5.065 1.00 0.00 H new ATOM 0 HG LEU B 523 5.160 0.750 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU B 523 7.224 0.448 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU B 523 6.043 -0.847 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU B 523 7.451 -1.157 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU B 523 7.324 1.555 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU B 523 7.572 -0.005 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU B 523 6.231 1.057 -5.817 1.00 0.00 H new ATOM 2630 N PHE B 524 2.719 -2.683 -6.277 1.00 0.00 N ATOM 2631 CA PHE B 524 2.292 -3.813 -7.089 1.00 0.00 C ATOM 2632 C PHE B 524 1.712 -3.315 -8.429 1.00 0.00 C ATOM 2633 O PHE B 524 1.646 -4.066 -9.406 1.00 0.00 O ATOM 2634 CB PHE B 524 1.277 -4.669 -6.294 1.00 0.00 C ATOM 2635 CG PHE B 524 -0.027 -4.944 -6.998 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -1.117 -4.114 -6.807 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.152 -6.025 -7.853 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -2.311 -4.358 -7.454 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.344 -6.276 -8.503 1.00 0.00 C ATOM 2640 CZ PHE B 524 -2.425 -5.442 -8.304 1.00 0.00 C ATOM 0 H PHE B 524 2.078 -2.454 -5.518 1.00 0.00 H new ATOM 0 HA PHE B 524 3.148 -4.446 -7.324 1.00 0.00 H new ATOM 0 HB2 PHE B 524 1.745 -5.622 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.063 -4.166 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -1.032 -3.266 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE B 524 0.692 -6.679 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -3.155 -3.703 -7.297 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -1.430 -7.124 -9.166 1.00 0.00 H new ATOM 0 HZ PHE B 524 -3.358 -5.636 -8.811 1.00 0.00 H new ATOM 2650 N ALA B 525 1.301 -2.039 -8.442 1.00 0.00 N ATOM 2651 CA ALA B 525 0.728 -1.403 -9.627 1.00 0.00 C ATOM 2652 C ALA B 525 1.683 -0.363 -10.234 1.00 0.00 C ATOM 2653 O ALA B 525 1.405 0.191 -11.303 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.606 -0.758 -9.273 1.00 0.00 C ATOM 0 H ALA B 525 1.358 -1.423 -7.631 1.00 0.00 H new ATOM 0 HA ALA B 525 0.568 -2.175 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.028 -0.286 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.293 -1.521 -8.906 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.452 -0.006 -8.499 1.00 0.00 H new ATOM 2660 N CYS B 526 2.813 -0.110 -9.547 1.00 0.00 N ATOM 2661 CA CYS B 526 3.829 0.855 -10.008 1.00 0.00 C ATOM 2662 C CYS B 526 4.753 0.235 -11.075 1.00 0.00 C ATOM 2663 O CYS B 526 5.777 0.823 -11.447 1.00 0.00 O ATOM 2664 CB CYS B 526 4.657 1.351 -8.809 1.00 0.00 C ATOM 2665 SG CYS B 526 3.719 2.346 -7.626 1.00 0.00 S ATOM 0 H CYS B 526 3.046 -0.564 -8.664 1.00 0.00 H new ATOM 0 HA CYS B 526 3.314 1.699 -10.467 1.00 0.00 H new ATOM 0 HB2 CYS B 526 5.077 0.490 -8.290 1.00 0.00 H new ATOM 0 HB3 CYS B 526 5.496 1.941 -9.179 1.00 0.00 H new ATOM 0 HG CYS B 526 2.713 1.655 -7.179 1.00 0.00 H new ATOM 2671 N MET B 527 4.362 -0.947 -11.572 1.00 0.00 N ATOM 2672 CA MET B 527 5.132 -1.672 -12.583 1.00 0.00 C ATOM 2673 C MET B 527 4.285 -1.984 -13.828 1.00 0.00 C ATOM 2674 O MET B 527 4.839 -2.245 -14.900 1.00 0.00 O ATOM 2675 CB MET B 527 5.661 -2.977 -11.978 1.00 0.00 C ATOM 2676 CG MET B 527 6.883 -3.558 -12.689 1.00 0.00 C ATOM 2677 SD MET B 527 6.885 -5.365 -12.709 1.00 0.00 S ATOM 2678 CE MET B 527 7.238 -5.746 -10.993 1.00 0.00 C ATOM 0 H MET B 527 3.507 -1.422 -11.284 1.00 0.00 H new ATOM 0 HA MET B 527 5.962 -1.038 -12.896 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.915 -2.801 -10.933 1.00 0.00 H new ATOM 0 HB3 MET B 527 4.862 -3.719 -11.992 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.912 -3.187 -13.714 1.00 0.00 H new ATOM 0 HG3 MET B 527 7.788 -3.203 -12.196 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.993 -6.789 -10.794 1.00 0.00 H new ATOM 0 HE2 MET B 527 8.296 -5.577 -10.793 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.640 -5.103 -10.347 1.00 0.00 H new ATOM 2688 N LEU B 528 2.945 -1.958 -13.680 1.00 0.00 N ATOM 2689 CA LEU B 528 2.014 -2.258 -14.784 1.00 0.00 C ATOM 2690 C LEU B 528 2.220 -1.342 -16.000 1.00 0.00 C ATOM 2691 O LEU B 528 2.257 -1.817 -17.139 1.00 0.00 O ATOM 2692 CB LEU B 528 0.559 -2.162 -14.311 1.00 0.00 C ATOM 2693 CG LEU B 528 0.228 -3.001 -13.079 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.002 -2.450 -12.376 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.017 -4.464 -13.434 1.00 0.00 C ATOM 0 H LEU B 528 2.482 -1.731 -12.800 1.00 0.00 H new ATOM 0 HA LEU B 528 2.232 -3.279 -15.098 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.331 -1.118 -14.094 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.095 -2.468 -15.128 1.00 0.00 H new ATOM 0 HG LEU B 528 1.082 -2.942 -12.404 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.224 -3.060 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.813 -1.423 -12.065 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.852 -2.472 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU B 528 -0.216 -5.028 -12.531 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.809 -4.552 -14.140 1.00 0.00 H new ATOM 0 HD23 LEU B 528 0.925 -4.863 -13.886 1.00 0.00 H new ATOM 2707 N MET B 529 2.351 -0.032 -15.739 1.00 0.00 N ATOM 2708 CA MET B 529 2.552 0.965 -16.794 1.00 0.00 C ATOM 2709 C MET B 529 3.562 2.025 -16.341 1.00 0.00 C ATOM 2710 O MET B 529 3.195 3.143 -15.955 1.00 0.00 O ATOM 2711 CB MET B 529 1.215 1.618 -17.193 1.00 0.00 C ATOM 2712 CG MET B 529 0.286 0.696 -17.969 1.00 0.00 C ATOM 2713 SD MET B 529 -1.268 1.491 -18.418 1.00 0.00 S ATOM 2714 CE MET B 529 -2.092 0.160 -19.288 1.00 0.00 C ATOM 0 H MET B 529 2.321 0.360 -14.798 1.00 0.00 H new ATOM 0 HA MET B 529 2.954 0.460 -17.672 1.00 0.00 H new ATOM 0 HB2 MET B 529 0.704 1.957 -16.292 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.420 2.503 -17.796 1.00 0.00 H new ATOM 0 HG2 MET B 529 0.790 0.357 -18.874 1.00 0.00 H new ATOM 0 HG3 MET B 529 0.076 -0.190 -17.370 1.00 0.00 H new ATOM 0 HE1 MET B 529 -3.091 0.481 -19.582 1.00 0.00 H new ATOM 0 HE2 MET B 529 -1.519 -0.103 -20.177 1.00 0.00 H new ATOM 0 HE3 MET B 529 -2.168 -0.709 -18.635 1.00 0.00 H new ATOM 2724 N ARG B 530 4.844 1.645 -16.371 1.00 0.00 N ATOM 2725 CA ARG B 530 5.943 2.533 -15.976 1.00 0.00 C ATOM 2726 C ARG B 530 6.396 3.434 -17.138 1.00 0.00 C ATOM 2727 O ARG B 530 6.503 4.653 -16.972 1.00 0.00 O ATOM 2728 CB ARG B 530 7.124 1.712 -15.410 1.00 0.00 C ATOM 2729 CG ARG B 530 7.583 0.538 -16.279 1.00 0.00 C ATOM 2730 CD ARG B 530 8.858 -0.089 -15.738 1.00 0.00 C ATOM 2731 NE ARG B 530 9.311 -1.214 -16.564 1.00 0.00 N ATOM 2732 CZ ARG B 530 10.408 -1.946 -16.321 1.00 0.00 C ATOM 2733 NH1 ARG B 530 11.190 -1.690 -15.274 1.00 0.00 N ATOM 2734 NH2 ARG B 530 10.723 -2.943 -17.137 1.00 0.00 N ATOM 0 H ARG B 530 5.148 0.718 -16.668 1.00 0.00 H new ATOM 0 HA ARG B 530 5.573 3.191 -15.190 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.970 2.382 -15.258 1.00 0.00 H new ATOM 0 HB3 ARG B 530 6.841 1.328 -14.430 1.00 0.00 H new ATOM 0 HG2 ARG B 530 6.796 -0.215 -16.322 1.00 0.00 H new ATOM 0 HG3 ARG B 530 7.750 0.883 -17.300 1.00 0.00 H new ATOM 0 HD2 ARG B 530 9.642 0.666 -15.693 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.688 -0.434 -14.718 1.00 0.00 H new ATOM 0 HE ARG B 530 8.751 -1.457 -17.382 1.00 0.00 H new ATOM 0 HH11 ARG B 530 10.959 -0.925 -14.640 1.00 0.00 H new ATOM 0 HH12 ARG B 530 12.020 -2.258 -15.106 1.00 0.00 H new ATOM 0 HH21 ARG B 530 10.132 -3.148 -17.943 1.00 0.00 H new ATOM 0 HH22 ARG B 530 11.556 -3.504 -16.959 1.00 0.00 H new ATOM 2748 N LYS B 531 6.656 2.824 -18.302 1.00 0.00 N ATOM 2749 CA LYS B 531 7.086 3.565 -19.492 1.00 0.00 C ATOM 2750 C LYS B 531 5.910 3.789 -20.442 1.00 0.00 C ATOM 2751 O LYS B 531 5.578 4.965 -20.701 1.00 0.00 O ATOM 2752 CB LYS B 531 8.228 2.829 -20.229 1.00 0.00 C ATOM 2753 CG LYS B 531 9.504 2.602 -19.407 1.00 0.00 C ATOM 2754 CD LYS B 531 10.220 3.905 -19.050 1.00 0.00 C ATOM 2755 CE LYS B 531 9.917 4.330 -17.619 1.00 0.00 C ATOM 2756 NZ LYS B 531 10.727 3.568 -16.628 1.00 0.00 N ATOM 2757 OXT LYS B 531 5.322 2.788 -20.910 1.00 0.00 O ATOM 0 H LYS B 531 6.575 1.817 -18.443 1.00 0.00 H new ATOM 0 HA LYS B 531 7.461 4.533 -19.159 1.00 0.00 H new ATOM 0 HB2 LYS B 531 7.856 1.861 -20.565 1.00 0.00 H new ATOM 0 HB3 LYS B 531 8.488 3.398 -21.121 1.00 0.00 H new ATOM 0 HG2 LYS B 531 9.250 2.070 -18.490 1.00 0.00 H new ATOM 0 HG3 LYS B 531 10.184 1.962 -19.969 1.00 0.00 H new ATOM 0 HD2 LYS B 531 11.295 3.777 -19.173 1.00 0.00 H new ATOM 0 HD3 LYS B 531 9.912 4.692 -19.738 1.00 0.00 H new ATOM 0 HE2 LYS B 531 10.116 5.396 -17.507 1.00 0.00 H new ATOM 0 HE3 LYS B 531 8.857 4.180 -17.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 10.490 3.888 -15.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 10.519 2.553 -16.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 11.738 3.731 -16.808 1.00 0.00 H new TER 2771 LYS B 531