USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 891 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 114 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Set 1.2: A 116 HIS : no HE2:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.1: A 1 ASP N :NH3+ 138:sc= 0.56 (180deg=0) USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0.495 USER MOD Set 3.1: A 90 SER OG : rot 164:sc= 0.884 USER MOD Set 3.2: A 93 THR OG1 : rot 104:sc= 0.885 USER MOD Set 4.1: A 25 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0) USER MOD Set 4.2: A 111 HIS : no HD1:sc= 0.87 K(o=2.1,f=-2.8) USER MOD Set 5.1: A 22 LYS NZ :NH3+ -151:sc= 1.08 (180deg=0) USER MOD Set 5.2: A 77 THR OG1 : rot 150:sc= 0.928 USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 2.24 (180deg=1.15) USER MOD Single : A 7 GLN : amide:sc= 1.08 K(o=1.1,f=-0.22) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.254 K(o=0.25,f=-4!) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.863 (180deg=0.841) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 0.771 (180deg=0.121) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 1.32 (180deg=1.15) USER MOD Single : A 27 GLN : amide:sc= -0.259 K(o=-0.26,f=-5.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 36 GLN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.02 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.1) USER MOD Single : A 42 ASN : amide:sc= 1.48 K(o=1.5,f=-5!) USER MOD Single : A 44 SER OG : rot -126:sc= 0.915 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 1.78 (180deg=1.06!) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0015 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 120:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -76:sc= 0.708 USER MOD Single : A 61 SER OG : rot 153:sc= 1.13 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 67 HIS : no HD1:sc= 0.604 K(o=0.6,f=-2.3!) USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.991 K(o=0.99,f=-0.001) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= 0.194 USER MOD Single : A 101 ASN : amide:sc= 1.31 K(o=1.3,f=-1) USER MOD Single : A 103 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.0552 K(o=-0.055,f=-2) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0.156 K(o=0.16,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.667 -3.298 -0.347 1.00 0.00 N ATOM 2 CA ASP A 1 0.473 -3.243 0.607 1.00 0.00 C ATOM 3 C ASP A 1 1.741 -3.845 -0.017 1.00 0.00 C ATOM 4 O ASP A 1 2.708 -3.130 -0.272 1.00 0.00 O ATOM 5 CB ASP A 1 0.114 -3.905 1.953 1.00 0.00 C ATOM 6 CG ASP A 1 1.257 -3.723 2.965 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.490 -2.570 3.400 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.925 -4.726 3.316 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.529 -3.585 0.159 1.00 0.00 H new ATOM 0 H2 ASP A 1 -0.811 -2.359 -0.771 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.459 -3.988 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 1 0.685 -2.195 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -0.802 -3.466 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.080 -4.967 1.802 1.00 0.00 H new ATOM 15 N VAL A 2 1.730 -5.155 -0.283 1.00 0.00 N ATOM 16 CA VAL A 2 2.807 -5.908 -0.956 1.00 0.00 C ATOM 17 C VAL A 2 2.687 -5.852 -2.464 1.00 0.00 C ATOM 18 O VAL A 2 1.592 -5.785 -3.000 1.00 0.00 O ATOM 19 CB VAL A 2 2.729 -7.383 -0.538 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.272 -8.482 -1.461 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.440 -7.553 0.784 1.00 0.00 C ATOM 0 H VAL A 2 0.941 -5.749 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 2 3.752 -5.453 -0.661 1.00 0.00 H new ATOM 0 HB VAL A 2 1.651 -7.546 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.127 -9.455 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.740 -8.454 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.335 -8.318 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.391 -8.598 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.483 -7.254 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.960 -6.930 1.538 1.00 0.00 H new ATOM 31 N ILE A 3 3.830 -5.992 -3.121 1.00 0.00 N ATOM 32 CA ILE A 3 4.022 -6.273 -4.539 1.00 0.00 C ATOM 33 C ILE A 3 4.752 -7.627 -4.537 1.00 0.00 C ATOM 34 O ILE A 3 5.955 -7.689 -4.272 1.00 0.00 O ATOM 35 CB ILE A 3 4.842 -5.157 -5.222 1.00 0.00 C ATOM 36 CG1 ILE A 3 4.142 -3.783 -5.313 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.180 -5.574 -6.664 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.757 -3.076 -4.008 1.00 0.00 C ATOM 0 H ILE A 3 4.723 -5.905 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 3 3.091 -6.311 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 3 5.719 -5.037 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.795 -3.114 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.234 -3.911 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.759 -4.785 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.763 -6.495 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.258 -5.738 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.276 -2.125 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.068 -3.704 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.653 -2.895 -3.414 1.00 0.00 H new ATOM 50 N ILE A 4 4.011 -8.730 -4.662 1.00 0.00 N ATOM 51 CA ILE A 4 4.497 -10.097 -4.468 1.00 0.00 C ATOM 52 C ILE A 4 5.514 -10.462 -5.565 1.00 0.00 C ATOM 53 O ILE A 4 5.398 -10.009 -6.716 1.00 0.00 O ATOM 54 CB ILE A 4 3.273 -11.039 -4.479 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.264 -12.112 -3.397 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.050 -11.734 -5.813 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.483 -13.040 -3.316 1.00 0.00 C ATOM 0 H ILE A 4 3.022 -8.694 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 4 5.016 -10.194 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 4 2.462 -10.340 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.152 -11.617 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.378 -12.730 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.174 -12.379 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.892 -10.987 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.925 -12.335 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.344 -13.753 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.593 -13.579 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.379 -12.448 -3.129 1.00 0.00 H new ATOM 69 N LYS A 5 6.485 -11.321 -5.232 1.00 0.00 N ATOM 70 CA LYS A 5 7.583 -11.708 -6.130 1.00 0.00 C ATOM 71 C LYS A 5 8.016 -13.174 -5.989 1.00 0.00 C ATOM 72 O LYS A 5 7.824 -13.770 -4.925 1.00 0.00 O ATOM 73 CB LYS A 5 8.758 -10.773 -5.866 1.00 0.00 C ATOM 74 CG LYS A 5 8.371 -9.368 -6.329 1.00 0.00 C ATOM 75 CD LYS A 5 9.561 -8.493 -6.657 1.00 0.00 C ATOM 76 CE LYS A 5 8.969 -7.093 -6.792 1.00 0.00 C ATOM 77 NZ LYS A 5 10.002 -6.051 -7.009 1.00 0.00 N ATOM 0 H LYS A 5 6.532 -11.774 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 5 7.225 -11.616 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.007 -10.767 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.644 -11.117 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.734 -9.447 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.780 -8.887 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.314 -8.533 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.047 -8.811 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.265 -7.080 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.402 -6.855 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.586 -5.253 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.357 -5.717 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.789 -6.451 -7.559 1.00 0.00 H new ATOM 91 N PRO A 6 8.584 -13.764 -7.059 1.00 0.00 N ATOM 92 CA PRO A 6 8.892 -15.191 -7.120 1.00 0.00 C ATOM 93 C PRO A 6 10.217 -15.544 -6.430 1.00 0.00 C ATOM 94 O PRO A 6 11.182 -14.787 -6.494 1.00 0.00 O ATOM 95 CB PRO A 6 8.926 -15.497 -8.616 1.00 0.00 C ATOM 96 CG PRO A 6 9.389 -14.199 -9.275 1.00 0.00 C ATOM 97 CD PRO A 6 8.821 -13.125 -8.356 1.00 0.00 C ATOM 0 HA PRO A 6 8.154 -15.789 -6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.610 -16.317 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.943 -15.796 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.476 -14.143 -9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.007 -14.104 -10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.518 -12.293 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.895 -12.718 -8.762 1.00 0.00 H new ATOM 105 N GLN A 7 10.291 -16.727 -5.813 1.00 0.00 N ATOM 106 CA GLN A 7 11.516 -17.196 -5.139 1.00 0.00 C ATOM 107 C GLN A 7 12.630 -17.686 -6.095 1.00 0.00 C ATOM 108 O GLN A 7 13.781 -17.809 -5.674 1.00 0.00 O ATOM 109 CB GLN A 7 11.179 -18.237 -4.054 1.00 0.00 C ATOM 110 CG GLN A 7 10.600 -19.566 -4.568 1.00 0.00 C ATOM 111 CD GLN A 7 10.479 -20.606 -3.448 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.383 -20.821 -2.654 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.368 -21.302 -3.333 1.00 0.00 N ATOM 0 H GLN A 7 9.513 -17.385 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 7 11.945 -16.318 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.085 -18.451 -3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.465 -17.794 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.618 -19.389 -5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.238 -19.958 -5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.597 -21.143 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.278 -22.000 -2.595 1.00 0.00 H new ATOM 122 N VAL A 8 12.312 -17.916 -7.376 1.00 0.00 N ATOM 123 CA VAL A 8 13.270 -18.225 -8.459 1.00 0.00 C ATOM 124 C VAL A 8 12.859 -17.528 -9.764 1.00 0.00 C ATOM 125 O VAL A 8 11.688 -17.209 -9.965 1.00 0.00 O ATOM 126 CB VAL A 8 13.405 -19.744 -8.735 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.918 -20.508 -7.507 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.119 -20.418 -9.234 1.00 0.00 C ATOM 0 H VAL A 8 11.346 -17.892 -7.704 1.00 0.00 H new ATOM 0 HA VAL A 8 14.236 -17.855 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 8 14.135 -19.798 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.997 -21.569 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.899 -20.125 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.223 -20.373 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.305 -21.479 -9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.333 -20.301 -8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.804 -19.954 -10.168 1.00 0.00 H new ATOM 138 N SER A 9 13.812 -17.303 -10.668 1.00 0.00 N ATOM 139 CA SER A 9 13.520 -16.882 -12.044 1.00 0.00 C ATOM 140 C SER A 9 13.006 -18.070 -12.887 1.00 0.00 C ATOM 141 O SER A 9 13.140 -19.229 -12.486 1.00 0.00 O ATOM 142 CB SER A 9 14.773 -16.262 -12.674 1.00 0.00 C ATOM 143 OG SER A 9 15.807 -17.225 -12.802 1.00 0.00 O ATOM 0 H SER A 9 14.807 -17.406 -10.471 1.00 0.00 H new ATOM 0 HA SER A 9 12.731 -16.130 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.528 -15.854 -13.655 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.119 -15.430 -12.060 1.00 0.00 H new ATOM 0 HG SER A 9 16.595 -16.807 -13.208 1.00 0.00 H new ATOM 149 N GLY A 10 12.397 -17.817 -14.045 1.00 0.00 N ATOM 150 CA GLY A 10 11.804 -18.841 -14.915 1.00 0.00 C ATOM 151 C GLY A 10 10.558 -18.282 -15.571 1.00 0.00 C ATOM 152 O GLY A 10 10.470 -17.071 -15.757 1.00 0.00 O ATOM 0 H GLY A 10 12.298 -16.872 -14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.522 -19.149 -15.675 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.555 -19.729 -14.334 1.00 0.00 H new ATOM 156 N VAL A 11 9.575 -19.117 -15.907 1.00 0.00 N ATOM 157 CA VAL A 11 8.353 -18.673 -16.535 1.00 0.00 C ATOM 158 C VAL A 11 7.108 -19.211 -15.844 1.00 0.00 C ATOM 159 O VAL A 11 7.128 -20.349 -15.395 1.00 0.00 O ATOM 160 CB VAL A 11 8.342 -19.091 -18.001 1.00 0.00 C ATOM 161 CG1 VAL A 11 9.621 -18.804 -18.791 1.00 0.00 C ATOM 162 CG2 VAL A 11 7.844 -20.490 -18.358 1.00 0.00 C ATOM 0 H VAL A 11 9.614 -20.123 -15.746 1.00 0.00 H new ATOM 0 HA VAL A 11 8.328 -17.587 -16.450 1.00 0.00 H new ATOM 0 HB VAL A 11 7.559 -18.403 -18.322 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.497 -19.143 -19.819 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.820 -17.732 -18.784 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.458 -19.331 -18.333 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.899 -20.631 -19.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.466 -21.235 -17.862 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.811 -20.603 -18.030 1.00 0.00 H new ATOM 172 N ILE A 12 6.022 -18.440 -15.788 1.00 0.00 N ATOM 173 CA ILE A 12 4.771 -18.878 -15.137 1.00 0.00 C ATOM 174 C ILE A 12 4.171 -20.124 -15.822 1.00 0.00 C ATOM 175 O ILE A 12 4.182 -20.227 -17.047 1.00 0.00 O ATOM 176 CB ILE A 12 3.724 -17.748 -15.125 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.253 -16.360 -14.714 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.490 -18.089 -14.268 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.949 -16.265 -13.355 1.00 0.00 C ATOM 0 H ILE A 12 5.976 -17.502 -16.186 1.00 0.00 H new ATOM 0 HA ILE A 12 5.030 -19.139 -14.111 1.00 0.00 H new ATOM 0 HB ILE A 12 3.438 -17.678 -16.175 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.952 -16.022 -15.479 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.416 -15.662 -14.717 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.786 -17.257 -14.296 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.009 -18.984 -14.662 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.800 -18.267 -13.238 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.274 -15.239 -13.184 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.254 -16.561 -12.569 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.815 -16.927 -13.343 1.00 0.00 H new ATOM 191 N VAL A 13 3.581 -21.021 -15.032 1.00 0.00 N ATOM 192 CA VAL A 13 2.968 -22.298 -15.448 1.00 0.00 C ATOM 193 C VAL A 13 1.505 -22.396 -15.000 1.00 0.00 C ATOM 194 O VAL A 13 0.674 -22.945 -15.723 1.00 0.00 O ATOM 195 CB VAL A 13 3.749 -23.491 -14.852 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.235 -24.852 -15.339 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.234 -23.427 -15.204 1.00 0.00 C ATOM 0 H VAL A 13 3.510 -20.874 -14.025 1.00 0.00 H new ATOM 0 HA VAL A 13 3.006 -22.331 -16.537 1.00 0.00 H new ATOM 0 HB VAL A 13 3.597 -23.407 -13.776 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.825 -25.648 -14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.189 -24.968 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.325 -24.908 -16.424 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.749 -24.283 -14.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.352 -23.447 -16.287 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.662 -22.506 -14.809 1.00 0.00 H new ATOM 207 N ASN A 14 1.176 -21.844 -13.828 1.00 0.00 N ATOM 208 CA ASN A 14 -0.183 -21.818 -13.282 1.00 0.00 C ATOM 209 C ASN A 14 -0.405 -20.561 -12.424 1.00 0.00 C ATOM 210 O ASN A 14 0.542 -19.994 -11.868 1.00 0.00 O ATOM 211 CB ASN A 14 -0.437 -23.099 -12.450 1.00 0.00 C ATOM 212 CG ASN A 14 -1.914 -23.465 -12.322 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.810 -22.776 -12.790 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.219 -24.565 -11.677 1.00 0.00 N ATOM 0 H ASN A 14 1.861 -21.394 -13.221 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.892 -21.786 -14.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.096 -23.932 -12.909 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.018 -22.963 -11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.196 -24.839 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.480 -25.147 -11.283 1.00 0.00 H new ATOM 221 N LYS A 15 -1.682 -20.197 -12.283 1.00 0.00 N ATOM 222 CA LYS A 15 -2.220 -19.086 -11.509 1.00 0.00 C ATOM 223 C LYS A 15 -3.224 -19.666 -10.511 1.00 0.00 C ATOM 224 O LYS A 15 -4.393 -19.886 -10.836 1.00 0.00 O ATOM 225 CB LYS A 15 -2.901 -18.075 -12.453 1.00 0.00 C ATOM 226 CG LYS A 15 -1.951 -17.424 -13.472 1.00 0.00 C ATOM 227 CD LYS A 15 -1.242 -16.167 -12.973 1.00 0.00 C ATOM 228 CE LYS A 15 -2.188 -14.956 -12.913 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.656 -14.497 -14.244 1.00 0.00 N ATOM 0 H LYS A 15 -2.425 -20.719 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.429 -18.559 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.702 -18.581 -12.992 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.365 -17.292 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.199 -18.156 -13.766 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.519 -17.173 -14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.829 -16.353 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.403 -15.939 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.054 -15.212 -12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.678 -14.132 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.378 -13.759 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.853 -14.111 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.065 -15.299 -14.764 1.00 0.00 H new ATOM 243 N LEU A 16 -2.745 -19.946 -9.303 1.00 0.00 N ATOM 244 CA LEU A 16 -3.553 -20.524 -8.228 1.00 0.00 C ATOM 245 C LEU A 16 -4.601 -19.533 -7.728 1.00 0.00 C ATOM 246 O LEU A 16 -5.797 -19.833 -7.653 1.00 0.00 O ATOM 247 CB LEU A 16 -2.634 -20.946 -7.086 1.00 0.00 C ATOM 248 CG LEU A 16 -1.807 -22.214 -7.343 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.506 -23.320 -8.124 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.486 -21.935 -8.048 1.00 0.00 C ATOM 0 H LEU A 16 -1.775 -19.777 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.083 -21.394 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.951 -20.125 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.239 -21.102 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.643 -22.570 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.828 -24.164 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.394 -23.643 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.797 -22.945 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.050 -22.872 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.680 -21.467 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.119 -21.266 -7.436 1.00 0.00 H new ATOM 262 N PHE A 17 -4.127 -18.324 -7.446 1.00 0.00 N ATOM 263 CA PHE A 17 -4.961 -17.174 -7.099 1.00 0.00 C ATOM 264 C PHE A 17 -5.766 -16.654 -8.300 1.00 0.00 C ATOM 265 O PHE A 17 -5.637 -17.143 -9.430 1.00 0.00 O ATOM 266 CB PHE A 17 -4.089 -16.081 -6.464 1.00 0.00 C ATOM 267 CG PHE A 17 -3.594 -15.008 -7.417 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.592 -15.288 -8.361 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.221 -13.748 -7.433 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.261 -14.331 -9.327 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.847 -12.768 -8.365 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.855 -13.062 -9.310 1.00 0.00 C ATOM 0 H PHE A 17 -3.130 -18.109 -7.452 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.703 -17.493 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.659 -15.602 -5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.226 -16.554 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.079 -16.238 -8.341 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.001 -13.532 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.540 -14.573 -10.094 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.319 -11.797 -8.354 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.549 -12.312 -10.024 1.00 0.00 H new ATOM 282 N LYS A 18 -6.571 -15.619 -8.053 1.00 0.00 N ATOM 283 CA LYS A 18 -7.369 -14.905 -9.062 1.00 0.00 C ATOM 284 C LYS A 18 -7.343 -13.404 -8.792 1.00 0.00 C ATOM 285 O LYS A 18 -7.457 -12.984 -7.642 1.00 0.00 O ATOM 286 CB LYS A 18 -8.814 -15.403 -9.049 1.00 0.00 C ATOM 287 CG LYS A 18 -8.972 -16.909 -9.236 1.00 0.00 C ATOM 288 CD LYS A 18 -8.664 -17.356 -10.666 1.00 0.00 C ATOM 289 CE LYS A 18 -8.569 -18.882 -10.823 1.00 0.00 C ATOM 290 NZ LYS A 18 -7.329 -19.438 -10.211 1.00 0.00 N ATOM 0 H LYS A 18 -6.692 -15.239 -7.114 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.935 -15.100 -10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.273 -15.118 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.367 -14.893 -9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.309 -17.429 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.991 -17.199 -8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.440 -16.978 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.723 -16.906 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.440 -19.347 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.595 -19.138 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.834 -20.031 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.708 -18.658 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.579 -20.014 -9.382 1.00 0.00 H new ATOM 304 N ALA A 19 -7.234 -12.599 -9.845 1.00 0.00 N ATOM 305 CA ALA A 19 -7.273 -11.135 -9.767 1.00 0.00 C ATOM 306 C ALA A 19 -8.589 -10.613 -9.153 1.00 0.00 C ATOM 307 O ALA A 19 -9.638 -10.633 -9.802 1.00 0.00 O ATOM 308 CB ALA A 19 -6.981 -10.570 -11.163 1.00 0.00 C ATOM 0 H ALA A 19 -7.114 -12.949 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.502 -10.782 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.005 -9.481 -11.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.995 -10.900 -11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.735 -10.927 -11.865 1.00 0.00 H new ATOM 314 N GLY A 20 -8.525 -10.179 -7.890 1.00 0.00 N ATOM 315 CA GLY A 20 -9.650 -9.638 -7.117 1.00 0.00 C ATOM 316 C GLY A 20 -10.212 -10.575 -6.036 1.00 0.00 C ATOM 317 O GLY A 20 -11.056 -10.141 -5.246 1.00 0.00 O ATOM 0 H GLY A 20 -7.655 -10.195 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.331 -8.711 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.454 -9.382 -7.807 1.00 0.00 H new ATOM 321 N ASP A 21 -9.785 -11.838 -5.983 1.00 0.00 N ATOM 322 CA ASP A 21 -10.140 -12.796 -4.923 1.00 0.00 C ATOM 323 C ASP A 21 -9.484 -12.464 -3.556 1.00 0.00 C ATOM 324 O ASP A 21 -8.810 -11.442 -3.384 1.00 0.00 O ATOM 325 CB ASP A 21 -9.758 -14.194 -5.445 1.00 0.00 C ATOM 326 CG ASP A 21 -10.403 -15.387 -4.712 1.00 0.00 C ATOM 327 OD1 ASP A 21 -11.322 -15.188 -3.882 1.00 0.00 O ATOM 328 OD2 ASP A 21 -10.007 -16.541 -4.994 1.00 0.00 O ATOM 0 H ASP A 21 -9.168 -12.237 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.209 -12.746 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.027 -14.252 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.675 -14.299 -5.386 1.00 0.00 H new ATOM 333 N LYS A 22 -9.668 -13.335 -2.558 1.00 0.00 N ATOM 334 CA LYS A 22 -8.966 -13.315 -1.264 1.00 0.00 C ATOM 335 C LYS A 22 -7.784 -14.297 -1.235 1.00 0.00 C ATOM 336 O LYS A 22 -7.608 -15.119 -2.138 1.00 0.00 O ATOM 337 CB LYS A 22 -9.958 -13.615 -0.120 1.00 0.00 C ATOM 338 CG LYS A 22 -11.208 -12.720 -0.089 1.00 0.00 C ATOM 339 CD LYS A 22 -10.898 -11.216 -0.139 1.00 0.00 C ATOM 340 CE LYS A 22 -12.180 -10.394 0.039 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.984 -8.984 -0.395 1.00 0.00 N ATOM 0 H LYS A 22 -10.335 -14.104 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.553 -12.316 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.276 -14.654 -0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.434 -13.514 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.848 -12.977 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.774 -12.934 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.184 -10.960 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.429 -10.967 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.987 -10.845 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.486 -10.415 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.616 -8.362 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.996 -8.704 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.202 -8.899 -1.408 1.00 0.00 H new ATOM 355 N VAL A 23 -7.008 -14.225 -0.158 1.00 0.00 N ATOM 356 CA VAL A 23 -5.895 -15.134 0.171 1.00 0.00 C ATOM 357 C VAL A 23 -5.918 -15.516 1.655 1.00 0.00 C ATOM 358 O VAL A 23 -6.145 -14.657 2.511 1.00 0.00 O ATOM 359 CB VAL A 23 -4.517 -14.537 -0.197 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.320 -14.462 -1.717 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.244 -13.145 0.377 1.00 0.00 C ATOM 0 H VAL A 23 -7.137 -13.500 0.548 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.039 -16.030 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.810 -15.230 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.340 -14.037 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.385 -15.464 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.095 -13.832 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.255 -12.810 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.996 -12.446 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.287 -13.185 1.465 1.00 0.00 H new ATOM 371 N LYS A 24 -5.717 -16.801 1.967 1.00 0.00 N ATOM 372 CA LYS A 24 -5.417 -17.332 3.302 1.00 0.00 C ATOM 373 C LYS A 24 -3.947 -16.973 3.655 1.00 0.00 C ATOM 374 O LYS A 24 -3.200 -16.634 2.740 1.00 0.00 O ATOM 375 CB LYS A 24 -5.730 -18.828 3.217 1.00 0.00 C ATOM 376 CG LYS A 24 -5.333 -19.615 4.449 1.00 0.00 C ATOM 377 CD LYS A 24 -5.978 -19.191 5.762 1.00 0.00 C ATOM 378 CE LYS A 24 -5.447 -20.157 6.827 1.00 0.00 C ATOM 379 NZ LYS A 24 -6.256 -21.400 6.918 1.00 0.00 N ATOM 0 H LYS A 24 -5.761 -17.535 1.261 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.008 -16.909 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.799 -18.955 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.217 -19.247 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.571 -20.664 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.251 -19.548 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.721 -18.161 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.065 -19.242 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.414 -20.415 6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.442 -19.658 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.751 -22.101 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.174 -21.185 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.410 -21.784 5.964 1.00 0.00 H new ATOM 393 N LYS A 25 -3.530 -17.047 4.935 1.00 0.00 N ATOM 394 CA LYS A 25 -2.216 -16.669 5.544 1.00 0.00 C ATOM 395 C LYS A 25 -0.945 -17.236 4.861 1.00 0.00 C ATOM 396 O LYS A 25 -0.157 -17.943 5.497 1.00 0.00 O ATOM 397 CB LYS A 25 -2.182 -16.984 7.047 1.00 0.00 C ATOM 398 CG LYS A 25 -3.320 -16.432 7.907 1.00 0.00 C ATOM 399 CD LYS A 25 -3.149 -15.013 8.493 1.00 0.00 C ATOM 400 CE LYS A 25 -1.962 -14.918 9.463 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.029 -13.691 10.302 1.00 0.00 N ATOM 0 H LYS A 25 -4.161 -17.408 5.650 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.169 -15.594 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.166 -18.068 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.242 -16.606 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.230 -16.440 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.479 -17.121 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.007 -14.302 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.063 -14.725 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.948 -15.798 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.030 -14.921 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.397 -13.796 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.732 -12.869 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.005 -13.550 10.633 1.00 0.00 H new ATOM 415 N GLY A 26 -0.725 -16.971 3.575 1.00 0.00 N ATOM 416 CA GLY A 26 0.378 -17.523 2.794 1.00 0.00 C ATOM 417 C GLY A 26 -0.030 -18.619 1.813 1.00 0.00 C ATOM 418 O GLY A 26 0.758 -19.527 1.551 1.00 0.00 O ATOM 0 H GLY A 26 -1.326 -16.349 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.854 -16.715 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.126 -17.924 3.478 1.00 0.00 H new ATOM 422 N GLN A 27 -1.276 -18.594 1.325 1.00 0.00 N ATOM 423 CA GLN A 27 -1.712 -19.488 0.248 1.00 0.00 C ATOM 424 C GLN A 27 -0.816 -19.408 -1.005 1.00 0.00 C ATOM 425 O GLN A 27 -0.251 -18.361 -1.326 1.00 0.00 O ATOM 426 CB GLN A 27 -3.208 -19.343 -0.016 1.00 0.00 C ATOM 427 CG GLN A 27 -3.492 -18.405 -1.155 1.00 0.00 C ATOM 428 CD GLN A 27 -4.986 -18.264 -1.421 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.824 -18.347 -0.536 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.361 -18.105 -2.666 1.00 0.00 N ATOM 0 H GLN A 27 -2.002 -17.961 1.661 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.574 -20.514 0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.633 -20.322 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.701 -18.978 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.070 -17.425 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.996 -18.768 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.661 -18.036 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.353 -18.050 -2.897 1.00 0.00 H new ATOM 439 N THR A 28 -0.727 -20.511 -1.746 1.00 0.00 N ATOM 440 CA THR A 28 -0.012 -20.606 -3.028 1.00 0.00 C ATOM 441 C THR A 28 -0.707 -19.768 -4.103 1.00 0.00 C ATOM 442 O THR A 28 -1.935 -19.763 -4.207 1.00 0.00 O ATOM 443 CB THR A 28 0.077 -22.077 -3.465 1.00 0.00 C ATOM 444 OG1 THR A 28 0.517 -22.870 -2.382 1.00 0.00 O ATOM 445 CG2 THR A 28 1.081 -22.285 -4.599 1.00 0.00 C ATOM 0 H THR A 28 -1.161 -21.391 -1.468 1.00 0.00 H new ATOM 0 HA THR A 28 0.996 -20.212 -2.896 1.00 0.00 H new ATOM 0 HB THR A 28 -0.919 -22.361 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.571 -23.807 -2.663 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.108 -23.340 -4.872 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.781 -21.694 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.071 -21.970 -4.270 1.00 0.00 H new ATOM 453 N LEU A 29 0.091 -19.074 -4.914 1.00 0.00 N ATOM 454 CA LEU A 29 -0.331 -18.043 -5.864 1.00 0.00 C ATOM 455 C LEU A 29 0.100 -18.354 -7.310 1.00 0.00 C ATOM 456 O LEU A 29 -0.718 -18.243 -8.224 1.00 0.00 O ATOM 457 CB LEU A 29 0.280 -16.707 -5.447 1.00 0.00 C ATOM 458 CG LEU A 29 -0.054 -16.184 -4.045 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.348 -14.727 -4.050 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.516 -16.272 -3.616 1.00 0.00 C ATOM 0 H LEU A 29 1.100 -19.223 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.420 -18.008 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.364 -16.794 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.032 -15.954 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 29 0.476 -16.816 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.136 -14.288 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.414 -14.644 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.216 -14.197 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.624 -15.872 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.133 -15.694 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.837 -17.314 -3.629 1.00 0.00 H new ATOM 472 N PHE A 30 1.345 -18.809 -7.505 1.00 0.00 N ATOM 473 CA PHE A 30 1.905 -19.124 -8.834 1.00 0.00 C ATOM 474 C PHE A 30 2.753 -20.396 -8.846 1.00 0.00 C ATOM 475 O PHE A 30 3.166 -20.913 -7.805 1.00 0.00 O ATOM 476 CB PHE A 30 2.776 -17.965 -9.361 1.00 0.00 C ATOM 477 CG PHE A 30 2.165 -16.585 -9.310 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.209 -15.821 -8.125 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.568 -16.056 -10.465 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.564 -14.570 -8.054 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.956 -14.800 -10.409 1.00 0.00 C ATOM 482 CZ PHE A 30 0.896 -14.086 -9.201 1.00 0.00 C ATOM 0 H PHE A 30 2.001 -18.971 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 30 1.040 -19.279 -9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.704 -17.948 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.043 -18.182 -10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.742 -16.198 -7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.581 -16.614 -11.389 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.580 -13.993 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.525 -14.375 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.337 -13.163 -9.149 1.00 0.00 H new ATOM 492 N ILE A 31 3.046 -20.857 -10.061 1.00 0.00 N ATOM 493 CA ILE A 31 3.986 -21.946 -10.372 1.00 0.00 C ATOM 494 C ILE A 31 4.898 -21.463 -11.500 1.00 0.00 C ATOM 495 O ILE A 31 4.419 -20.800 -12.417 1.00 0.00 O ATOM 496 CB ILE A 31 3.231 -23.225 -10.770 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.261 -23.588 -9.634 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.195 -24.393 -11.067 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.478 -24.880 -9.830 1.00 0.00 C ATOM 0 H ILE A 31 2.616 -20.466 -10.899 1.00 0.00 H new ATOM 0 HA ILE A 31 4.582 -22.196 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 31 2.677 -23.041 -11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.828 -23.664 -8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.552 -22.769 -9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.621 -25.277 -11.344 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.857 -24.118 -11.888 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.789 -24.610 -10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.824 -25.043 -8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.877 -24.807 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.172 -25.716 -9.921 1.00 0.00 H new ATOM 511 N ILE A 32 6.185 -21.793 -11.453 1.00 0.00 N ATOM 512 CA ILE A 32 7.228 -21.395 -12.412 1.00 0.00 C ATOM 513 C ILE A 32 7.979 -22.587 -12.968 1.00 0.00 C ATOM 514 O ILE A 32 8.154 -23.574 -12.266 1.00 0.00 O ATOM 515 CB ILE A 32 8.209 -20.424 -11.712 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.538 -19.048 -11.744 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.614 -20.331 -12.334 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.292 -18.000 -10.929 1.00 0.00 C ATOM 0 H ILE A 32 6.556 -22.378 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 32 6.746 -20.902 -13.256 1.00 0.00 H new ATOM 0 HB ILE A 32 8.392 -20.804 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.461 -18.711 -12.778 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.521 -19.136 -11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.217 -19.623 -11.765 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.088 -21.312 -12.311 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.533 -19.991 -13.367 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.768 -17.046 -10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.346 -18.318 -9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.301 -17.886 -11.327 1.00 0.00 H new ATOM 530 N GLU A 33 8.486 -22.461 -14.199 1.00 0.00 N ATOM 531 CA GLU A 33 9.407 -23.421 -14.801 1.00 0.00 C ATOM 532 C GLU A 33 10.802 -22.789 -14.966 1.00 0.00 C ATOM 533 O GLU A 33 10.952 -21.807 -15.700 1.00 0.00 O ATOM 534 CB GLU A 33 8.797 -23.887 -16.134 1.00 0.00 C ATOM 535 CG GLU A 33 9.303 -25.266 -16.518 1.00 0.00 C ATOM 536 CD GLU A 33 8.511 -25.850 -17.701 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.412 -26.415 -17.477 1.00 0.00 O ATOM 538 OE2 GLU A 33 8.964 -25.742 -18.865 1.00 0.00 O ATOM 0 H GLU A 33 8.262 -21.676 -14.811 1.00 0.00 H new ATOM 0 HA GLU A 33 9.546 -24.293 -14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.710 -23.905 -16.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.046 -23.174 -16.920 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.359 -25.207 -16.780 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.224 -25.935 -15.661 1.00 0.00 H new ATOM 545 N GLN A 34 11.820 -23.320 -14.270 1.00 0.00 N ATOM 546 CA GLN A 34 13.200 -22.796 -14.292 1.00 0.00 C ATOM 547 C GLN A 34 13.839 -22.760 -15.677 1.00 0.00 C ATOM 548 O GLN A 34 14.506 -21.794 -16.049 1.00 0.00 O ATOM 549 CB GLN A 34 14.081 -23.594 -13.302 1.00 0.00 C ATOM 550 CG GLN A 34 14.235 -22.882 -11.948 1.00 0.00 C ATOM 551 CD GLN A 34 15.508 -22.058 -11.871 1.00 0.00 C ATOM 552 OE1 GLN A 34 16.608 -22.572 -11.743 1.00 0.00 O ATOM 553 NE2 GLN A 34 15.430 -20.754 -11.913 1.00 0.00 N ATOM 0 H GLN A 34 11.709 -24.136 -13.668 1.00 0.00 H new ATOM 0 HA GLN A 34 13.134 -21.753 -13.981 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.643 -24.579 -13.143 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.066 -23.750 -13.741 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.375 -22.234 -11.781 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.236 -23.623 -11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.523 -20.301 -12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 34 16.277 -20.190 -11.839 1.00 0.00 H new ATOM 562 N ASP A 35 13.600 -23.827 -16.421 1.00 0.00 N ATOM 563 CA ASP A 35 14.110 -24.071 -17.773 1.00 0.00 C ATOM 564 C ASP A 35 13.398 -25.270 -18.435 1.00 0.00 C ATOM 565 O ASP A 35 12.673 -26.012 -17.765 1.00 0.00 O ATOM 566 CB ASP A 35 15.638 -24.271 -17.714 1.00 0.00 C ATOM 567 CG ASP A 35 16.066 -25.717 -17.408 1.00 0.00 C ATOM 568 OD1 ASP A 35 16.186 -26.510 -18.373 1.00 0.00 O ATOM 569 OD2 ASP A 35 16.318 -26.047 -16.227 1.00 0.00 O ATOM 0 H ASP A 35 13.014 -24.592 -16.086 1.00 0.00 H new ATOM 0 HA ASP A 35 13.897 -23.203 -18.397 1.00 0.00 H new ATOM 0 HB2 ASP A 35 16.071 -23.968 -18.667 1.00 0.00 H new ATOM 0 HB3 ASP A 35 16.052 -23.611 -16.952 1.00 0.00 H new ATOM 574 N GLN A 36 13.624 -25.481 -19.738 1.00 0.00 N ATOM 575 CA GLN A 36 12.942 -26.511 -20.532 1.00 0.00 C ATOM 576 C GLN A 36 13.898 -27.417 -21.340 1.00 0.00 C ATOM 577 O GLN A 36 13.462 -28.070 -22.294 1.00 0.00 O ATOM 578 CB GLN A 36 11.866 -25.833 -21.398 1.00 0.00 C ATOM 579 CG GLN A 36 12.403 -25.028 -22.597 1.00 0.00 C ATOM 580 CD GLN A 36 11.736 -25.438 -23.912 1.00 0.00 C ATOM 581 OE1 GLN A 36 11.071 -24.655 -24.583 1.00 0.00 O ATOM 582 NE2 GLN A 36 11.874 -26.682 -24.325 1.00 0.00 N ATOM 0 H GLN A 36 14.295 -24.934 -20.278 1.00 0.00 H new ATOM 0 HA GLN A 36 12.460 -27.209 -19.847 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.186 -26.599 -21.770 1.00 0.00 H new ATOM 0 HB3 GLN A 36 11.280 -25.166 -20.766 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.237 -23.965 -22.423 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.480 -25.173 -22.677 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.424 -27.343 -23.777 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.431 -26.983 -25.193 1.00 0.00 H new ATOM 591 N ALA A 37 15.188 -27.459 -20.991 1.00 0.00 N ATOM 592 CA ALA A 37 16.201 -28.256 -21.697 1.00 0.00 C ATOM 593 C ALA A 37 15.858 -29.749 -21.701 1.00 0.00 C ATOM 594 O ALA A 37 15.765 -30.381 -22.755 1.00 0.00 O ATOM 595 CB ALA A 37 17.549 -28.035 -21.005 1.00 0.00 C ATOM 0 H ALA A 37 15.564 -26.935 -20.201 1.00 0.00 H new ATOM 0 HA ALA A 37 16.238 -27.934 -22.738 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.318 -28.617 -21.512 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.809 -26.977 -21.045 1.00 0.00 H new ATOM 0 HB3 ALA A 37 17.480 -28.353 -19.965 1.00 0.00 H new ATOM 601 N SER A 38 15.602 -30.309 -20.525 1.00 0.00 N ATOM 602 CA SER A 38 15.174 -31.699 -20.337 1.00 0.00 C ATOM 603 C SER A 38 13.803 -31.996 -20.948 1.00 0.00 C ATOM 604 O SER A 38 13.565 -33.112 -21.413 1.00 0.00 O ATOM 605 CB SER A 38 15.124 -32.017 -18.852 1.00 0.00 C ATOM 606 OG SER A 38 14.453 -30.984 -18.140 1.00 0.00 O ATOM 0 H SER A 38 15.688 -29.797 -19.647 1.00 0.00 H new ATOM 0 HA SER A 38 15.904 -32.323 -20.852 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.611 -32.966 -18.695 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.136 -32.134 -18.465 1.00 0.00 H new ATOM 0 HG SER A 38 14.429 -31.207 -17.186 1.00 0.00 H new ATOM 612 N LYS A 39 12.916 -31.004 -21.006 1.00 0.00 N ATOM 613 CA LYS A 39 11.610 -31.157 -21.658 1.00 0.00 C ATOM 614 C LYS A 39 11.751 -31.348 -23.179 1.00 0.00 C ATOM 615 O LYS A 39 10.982 -32.095 -23.776 1.00 0.00 O ATOM 616 CB LYS A 39 10.733 -29.944 -21.294 1.00 0.00 C ATOM 617 CG LYS A 39 9.233 -30.215 -21.486 1.00 0.00 C ATOM 618 CD LYS A 39 8.384 -29.049 -20.964 1.00 0.00 C ATOM 619 CE LYS A 39 8.510 -27.797 -21.843 1.00 0.00 C ATOM 620 NZ LYS A 39 7.820 -26.635 -21.232 1.00 0.00 N ATOM 0 H LYS A 39 13.077 -30.079 -20.608 1.00 0.00 H new ATOM 0 HA LYS A 39 11.124 -32.063 -21.295 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.917 -29.666 -20.256 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.025 -29.093 -21.909 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.023 -30.376 -22.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.957 -31.131 -20.963 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.339 -29.355 -20.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.689 -28.808 -19.946 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.563 -27.560 -21.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.086 -27.997 -22.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.952 -25.797 -21.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.804 -26.841 -21.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.219 -26.451 -20.289 1.00 0.00 H new ATOM 634 N ASP A 40 12.768 -30.733 -23.791 1.00 0.00 N ATOM 635 CA ASP A 40 13.142 -30.964 -25.198 1.00 0.00 C ATOM 636 C ASP A 40 13.981 -32.241 -25.412 1.00 0.00 C ATOM 637 O ASP A 40 13.847 -32.910 -26.440 1.00 0.00 O ATOM 638 CB ASP A 40 13.976 -29.776 -25.700 1.00 0.00 C ATOM 639 CG ASP A 40 14.054 -29.741 -27.235 1.00 0.00 C ATOM 640 OD1 ASP A 40 13.011 -29.485 -27.883 1.00 0.00 O ATOM 641 OD2 ASP A 40 15.159 -29.938 -27.797 1.00 0.00 O ATOM 0 H ASP A 40 13.364 -30.052 -23.321 1.00 0.00 H new ATOM 0 HA ASP A 40 12.207 -31.079 -25.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.539 -28.846 -25.337 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.983 -29.838 -25.286 1.00 0.00 H new ATOM 646 N PHE A 41 14.852 -32.570 -24.450 1.00 0.00 N ATOM 647 CA PHE A 41 15.899 -33.582 -24.616 1.00 0.00 C ATOM 648 C PHE A 41 15.574 -34.973 -24.052 1.00 0.00 C ATOM 649 O PHE A 41 15.902 -35.986 -24.675 1.00 0.00 O ATOM 650 CB PHE A 41 17.177 -33.048 -23.959 1.00 0.00 C ATOM 651 CG PHE A 41 18.421 -33.752 -24.451 1.00 0.00 C ATOM 652 CD1 PHE A 41 18.960 -33.374 -25.694 1.00 0.00 C ATOM 653 CD2 PHE A 41 19.009 -34.792 -23.707 1.00 0.00 C ATOM 654 CE1 PHE A 41 20.100 -34.037 -26.192 1.00 0.00 C ATOM 655 CE2 PHE A 41 20.146 -35.455 -24.208 1.00 0.00 C ATOM 656 CZ PHE A 41 20.691 -35.078 -25.448 1.00 0.00 C ATOM 0 H PHE A 41 14.849 -32.136 -23.527 1.00 0.00 H new ATOM 0 HA PHE A 41 16.008 -33.739 -25.689 1.00 0.00 H new ATOM 0 HB2 PHE A 41 17.265 -31.980 -24.159 1.00 0.00 H new ATOM 0 HB3 PHE A 41 17.101 -33.165 -22.878 1.00 0.00 H new ATOM 0 HD1 PHE A 41 18.502 -32.579 -26.264 1.00 0.00 H new ATOM 0 HD2 PHE A 41 18.589 -35.081 -22.755 1.00 0.00 H new ATOM 0 HE1 PHE A 41 20.521 -33.747 -27.144 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.600 -36.253 -23.639 1.00 0.00 H new ATOM 0 HZ PHE A 41 21.563 -35.587 -25.831 1.00 0.00 H new ATOM 666 N ASN A 42 14.939 -35.051 -22.881 1.00 0.00 N ATOM 667 CA ASN A 42 14.553 -36.311 -22.249 1.00 0.00 C ATOM 668 C ASN A 42 13.144 -36.726 -22.626 1.00 0.00 C ATOM 669 O ASN A 42 12.922 -37.869 -23.029 1.00 0.00 O ATOM 670 CB ASN A 42 14.591 -36.165 -20.717 1.00 0.00 C ATOM 671 CG ASN A 42 14.283 -37.484 -20.031 1.00 0.00 C ATOM 672 OD1 ASN A 42 13.202 -37.711 -19.507 1.00 0.00 O ATOM 673 ND2 ASN A 42 15.211 -38.404 -20.081 1.00 0.00 N ATOM 0 H ASN A 42 14.675 -34.228 -22.339 1.00 0.00 H new ATOM 0 HA ASN A 42 15.260 -37.065 -22.596 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.575 -35.812 -20.407 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.869 -35.412 -20.403 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.038 -39.326 -19.680 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.108 -38.200 -20.521 1.00 0.00 H new ATOM 680 N ARG A 43 12.181 -35.812 -22.465 1.00 0.00 N ATOM 681 CA ARG A 43 10.767 -36.177 -22.551 1.00 0.00 C ATOM 682 C ARG A 43 10.305 -36.550 -23.964 1.00 0.00 C ATOM 683 O ARG A 43 9.345 -37.307 -24.112 1.00 0.00 O ATOM 684 CB ARG A 43 9.878 -35.095 -21.898 1.00 0.00 C ATOM 685 CG ARG A 43 10.111 -34.910 -20.383 1.00 0.00 C ATOM 686 CD ARG A 43 9.942 -36.230 -19.615 1.00 0.00 C ATOM 687 NE ARG A 43 9.793 -36.024 -18.162 1.00 0.00 N ATOM 688 CZ ARG A 43 10.358 -36.746 -17.211 1.00 0.00 C ATOM 689 NH1 ARG A 43 11.341 -37.572 -17.406 1.00 0.00 N ATOM 690 NH2 ARG A 43 9.933 -36.675 -15.994 1.00 0.00 N ATOM 0 H ARG A 43 12.354 -34.825 -22.276 1.00 0.00 H new ATOM 0 HA ARG A 43 10.650 -37.097 -21.978 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.056 -34.144 -22.400 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.832 -35.352 -22.064 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.114 -34.517 -20.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.410 -34.171 -19.995 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.068 -36.758 -19.995 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.806 -36.868 -19.801 1.00 0.00 H new ATOM 0 HE ARG A 43 9.198 -35.251 -17.864 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.726 -37.695 -18.343 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.728 -38.098 -16.622 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.155 -36.058 -15.761 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.375 -37.236 -15.266 1.00 0.00 H new ATOM 704 N SER A 44 11.035 -36.103 -24.987 1.00 0.00 N ATOM 705 CA SER A 44 10.890 -36.544 -26.385 1.00 0.00 C ATOM 706 C SER A 44 11.271 -38.024 -26.564 1.00 0.00 C ATOM 707 O SER A 44 10.498 -38.799 -27.134 1.00 0.00 O ATOM 708 CB SER A 44 11.780 -35.669 -27.277 1.00 0.00 C ATOM 709 OG SER A 44 13.110 -35.645 -26.779 1.00 0.00 O ATOM 0 H SER A 44 11.767 -35.403 -24.867 1.00 0.00 H new ATOM 0 HA SER A 44 9.843 -36.440 -26.669 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.774 -36.054 -28.297 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.381 -34.655 -27.316 1.00 0.00 H new ATOM 0 HG SER A 44 13.395 -34.716 -26.652 1.00 0.00 H new ATOM 715 N LYS A 45 12.422 -38.442 -26.011 1.00 0.00 N ATOM 716 CA LYS A 45 12.894 -39.838 -25.987 1.00 0.00 C ATOM 717 C LYS A 45 12.018 -40.736 -25.103 1.00 0.00 C ATOM 718 O LYS A 45 11.757 -41.883 -25.467 1.00 0.00 O ATOM 719 CB LYS A 45 14.355 -39.909 -25.513 1.00 0.00 C ATOM 720 CG LYS A 45 15.352 -39.167 -26.416 1.00 0.00 C ATOM 721 CD LYS A 45 16.804 -39.618 -26.157 1.00 0.00 C ATOM 722 CE LYS A 45 17.275 -39.492 -24.700 1.00 0.00 C ATOM 723 NZ LYS A 45 17.699 -38.117 -24.351 1.00 0.00 N ATOM 0 H LYS A 45 13.069 -37.799 -25.555 1.00 0.00 H new ATOM 0 HA LYS A 45 12.824 -40.210 -27.009 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.418 -39.496 -24.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.652 -40.956 -25.447 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.097 -39.344 -27.461 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.269 -38.094 -26.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.906 -40.658 -26.467 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.469 -39.030 -26.790 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.468 -39.798 -24.034 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.105 -40.177 -24.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.616 -37.978 -23.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.688 -37.974 -24.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.092 -37.431 -24.843 1.00 0.00 H new ATOM 737 N ALA A 46 11.517 -40.213 -23.982 1.00 0.00 N ATOM 738 CA ALA A 46 10.713 -40.945 -22.997 1.00 0.00 C ATOM 739 C ALA A 46 9.417 -41.559 -23.570 1.00 0.00 C ATOM 740 O ALA A 46 8.886 -42.515 -23.001 1.00 0.00 O ATOM 741 CB ALA A 46 10.392 -40.009 -21.831 1.00 0.00 C ATOM 0 H ALA A 46 11.664 -39.237 -23.725 1.00 0.00 H new ATOM 0 HA ALA A 46 11.310 -41.794 -22.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.794 -40.541 -21.091 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.320 -39.669 -21.371 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.833 -39.149 -22.198 1.00 0.00 H new ATOM 747 N LEU A 47 8.928 -41.057 -24.712 1.00 0.00 N ATOM 748 CA LEU A 47 7.812 -41.630 -25.477 1.00 0.00 C ATOM 749 C LEU A 47 8.064 -43.066 -25.965 1.00 0.00 C ATOM 750 O LEU A 47 7.107 -43.807 -26.205 1.00 0.00 O ATOM 751 CB LEU A 47 7.506 -40.723 -26.685 1.00 0.00 C ATOM 752 CG LEU A 47 7.111 -39.275 -26.341 1.00 0.00 C ATOM 753 CD1 LEU A 47 6.863 -38.484 -27.622 1.00 0.00 C ATOM 754 CD2 LEU A 47 5.852 -39.190 -25.474 1.00 0.00 C ATOM 0 H LEU A 47 9.310 -40.215 -25.142 1.00 0.00 H new ATOM 0 HA LEU A 47 6.962 -41.682 -24.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.384 -40.698 -27.331 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.699 -41.175 -27.261 1.00 0.00 H new ATOM 0 HG LEU A 47 7.943 -38.857 -25.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.584 -37.461 -27.370 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.771 -38.474 -28.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.057 -38.951 -28.188 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.624 -38.145 -25.265 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.015 -39.645 -26.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.020 -39.719 -24.536 1.00 0.00 H new ATOM 766 N PHE A 48 9.334 -43.462 -26.114 1.00 0.00 N ATOM 767 CA PHE A 48 9.726 -44.692 -26.812 1.00 0.00 C ATOM 768 C PHE A 48 11.056 -45.315 -26.323 1.00 0.00 C ATOM 769 O PHE A 48 11.585 -46.229 -26.957 1.00 0.00 O ATOM 770 CB PHE A 48 9.762 -44.338 -28.313 1.00 0.00 C ATOM 771 CG PHE A 48 8.648 -44.975 -29.118 1.00 0.00 C ATOM 772 CD1 PHE A 48 8.733 -46.331 -29.488 1.00 0.00 C ATOM 773 CD2 PHE A 48 7.520 -44.219 -29.493 1.00 0.00 C ATOM 774 CE1 PHE A 48 7.694 -46.929 -30.225 1.00 0.00 C ATOM 775 CE2 PHE A 48 6.485 -44.815 -30.238 1.00 0.00 C ATOM 776 CZ PHE A 48 6.572 -46.170 -30.601 1.00 0.00 C ATOM 0 H PHE A 48 10.126 -42.932 -25.750 1.00 0.00 H new ATOM 0 HA PHE A 48 9.000 -45.476 -26.598 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.704 -43.255 -28.423 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.721 -44.649 -28.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.598 -46.913 -29.206 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.449 -43.180 -29.208 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.759 -47.971 -30.502 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.625 -44.231 -30.530 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.776 -46.629 -31.169 1.00 0.00 H new ATOM 786 N SER A 49 11.604 -44.845 -25.195 1.00 0.00 N ATOM 787 CA SER A 49 12.917 -45.245 -24.652 1.00 0.00 C ATOM 788 C SER A 49 12.944 -45.232 -23.116 1.00 0.00 C ATOM 789 O SER A 49 12.095 -44.623 -22.462 1.00 0.00 O ATOM 790 CB SER A 49 13.993 -44.297 -25.209 1.00 0.00 C ATOM 791 OG SER A 49 15.293 -44.775 -24.903 1.00 0.00 O ATOM 0 H SER A 49 11.133 -44.152 -24.613 1.00 0.00 H new ATOM 0 HA SER A 49 13.115 -46.271 -24.961 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.879 -44.205 -26.289 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.859 -43.300 -24.789 1.00 0.00 H new ATOM 0 HG SER A 49 15.962 -44.159 -25.267 1.00 0.00 H new ATOM 797 N GLN A 50 13.954 -45.887 -22.533 1.00 0.00 N ATOM 798 CA GLN A 50 14.205 -45.972 -21.085 1.00 0.00 C ATOM 799 C GLN A 50 14.731 -44.656 -20.471 1.00 0.00 C ATOM 800 O GLN A 50 14.968 -44.587 -19.264 1.00 0.00 O ATOM 801 CB GLN A 50 15.203 -47.115 -20.814 1.00 0.00 C ATOM 802 CG GLN A 50 14.660 -48.497 -21.223 1.00 0.00 C ATOM 803 CD GLN A 50 15.673 -49.607 -20.949 1.00 0.00 C ATOM 804 OE1 GLN A 50 16.103 -49.837 -19.826 1.00 0.00 O ATOM 805 NE2 GLN A 50 16.087 -50.355 -21.952 1.00 0.00 N ATOM 0 H GLN A 50 14.650 -46.395 -23.078 1.00 0.00 H new ATOM 0 HA GLN A 50 13.247 -46.169 -20.604 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.128 -46.919 -21.357 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.453 -47.128 -19.753 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.739 -48.702 -20.677 1.00 0.00 H new ATOM 0 HG3 GLN A 50 14.407 -48.489 -22.283 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.741 -50.180 -22.895 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.753 -51.109 -21.785 1.00 0.00 H new ATOM 814 N SER A 51 14.910 -43.598 -21.274 1.00 0.00 N ATOM 815 CA SER A 51 15.506 -42.312 -20.884 1.00 0.00 C ATOM 816 C SER A 51 14.875 -41.645 -19.653 1.00 0.00 C ATOM 817 O SER A 51 15.578 -40.956 -18.911 1.00 0.00 O ATOM 818 CB SER A 51 15.464 -41.351 -22.077 1.00 0.00 C ATOM 819 OG SER A 51 14.126 -41.127 -22.484 1.00 0.00 O ATOM 0 H SER A 51 14.632 -43.616 -22.255 1.00 0.00 H new ATOM 0 HA SER A 51 16.531 -42.539 -20.590 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.932 -40.404 -21.806 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.038 -41.765 -22.906 1.00 0.00 H new ATOM 0 HG SER A 51 13.917 -40.173 -22.409 1.00 0.00 H new ATOM 825 N ALA A 52 13.589 -41.886 -19.372 1.00 0.00 N ATOM 826 CA ALA A 52 12.893 -41.414 -18.167 1.00 0.00 C ATOM 827 C ALA A 52 13.506 -41.901 -16.832 1.00 0.00 C ATOM 828 O ALA A 52 13.170 -41.361 -15.776 1.00 0.00 O ATOM 829 CB ALA A 52 11.416 -41.810 -18.275 1.00 0.00 C ATOM 0 H ALA A 52 12.987 -42.429 -19.992 1.00 0.00 H new ATOM 0 HA ALA A 52 13.007 -40.330 -18.133 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.882 -41.468 -17.389 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.980 -41.350 -19.162 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.335 -42.894 -18.352 1.00 0.00 H new ATOM 835 N ILE A 53 14.409 -42.887 -16.881 1.00 0.00 N ATOM 836 CA ILE A 53 15.025 -43.580 -15.738 1.00 0.00 C ATOM 837 C ILE A 53 16.572 -43.530 -15.807 1.00 0.00 C ATOM 838 O ILE A 53 17.245 -43.826 -14.817 1.00 0.00 O ATOM 839 CB ILE A 53 14.456 -45.023 -15.728 1.00 0.00 C ATOM 840 CG1 ILE A 53 12.928 -45.076 -15.484 1.00 0.00 C ATOM 841 CG2 ILE A 53 15.154 -45.969 -14.741 1.00 0.00 C ATOM 842 CD1 ILE A 53 12.444 -44.551 -14.124 1.00 0.00 C ATOM 0 H ILE A 53 14.751 -43.246 -17.772 1.00 0.00 H new ATOM 0 HA ILE A 53 14.779 -43.087 -14.798 1.00 0.00 H new ATOM 0 HB ILE A 53 14.666 -45.378 -16.737 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.435 -44.502 -16.269 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.599 -46.110 -15.590 1.00 0.00 H new ATOM 0 HG21 ILE A 53 14.696 -46.956 -14.797 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.211 -46.045 -14.995 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.051 -45.579 -13.728 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.359 -44.637 -14.066 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.898 -45.137 -13.325 1.00 0.00 H new ATOM 0 HD13 ILE A 53 12.731 -43.505 -14.015 1.00 0.00 H new ATOM 854 N SER A 54 17.158 -43.101 -16.935 1.00 0.00 N ATOM 855 CA SER A 54 18.609 -42.902 -17.109 1.00 0.00 C ATOM 856 C SER A 54 19.192 -41.931 -16.073 1.00 0.00 C ATOM 857 O SER A 54 18.838 -40.751 -16.059 1.00 0.00 O ATOM 858 CB SER A 54 18.927 -42.406 -18.520 1.00 0.00 C ATOM 859 OG SER A 54 18.593 -43.400 -19.473 1.00 0.00 O ATOM 0 H SER A 54 16.624 -42.876 -17.774 1.00 0.00 H new ATOM 0 HA SER A 54 19.077 -43.874 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.370 -41.492 -18.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.986 -42.159 -18.597 1.00 0.00 H new ATOM 0 HG SER A 54 18.799 -43.072 -20.373 1.00 0.00 H new ATOM 865 N GLN A 55 20.127 -42.418 -15.248 1.00 0.00 N ATOM 866 CA GLN A 55 20.680 -41.782 -14.034 1.00 0.00 C ATOM 867 C GLN A 55 21.276 -40.356 -14.145 1.00 0.00 C ATOM 868 O GLN A 55 21.682 -39.774 -13.138 1.00 0.00 O ATOM 869 CB GLN A 55 21.691 -42.719 -13.359 1.00 0.00 C ATOM 870 CG GLN A 55 21.038 -44.041 -12.934 1.00 0.00 C ATOM 871 CD GLN A 55 21.989 -44.915 -12.115 1.00 0.00 C ATOM 872 OE1 GLN A 55 22.437 -45.975 -12.535 1.00 0.00 O ATOM 873 NE2 GLN A 55 22.344 -44.499 -10.918 1.00 0.00 N ATOM 0 H GLN A 55 20.550 -43.330 -15.418 1.00 0.00 H new ATOM 0 HA GLN A 55 19.787 -41.621 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 55 22.514 -42.923 -14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 55 22.118 -42.226 -12.486 1.00 0.00 H new ATOM 0 HG2 GLN A 55 20.144 -43.831 -12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 55 20.717 -44.588 -13.821 1.00 0.00 H new ATOM 0 HE21 GLN A 55 21.979 -43.618 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 55 22.984 -45.057 -10.353 1.00 0.00 H new ATOM 882 N LYS A 56 21.379 -39.810 -15.354 1.00 0.00 N ATOM 883 CA LYS A 56 21.954 -38.490 -15.671 1.00 0.00 C ATOM 884 C LYS A 56 20.989 -37.573 -16.443 1.00 0.00 C ATOM 885 O LYS A 56 21.290 -36.400 -16.653 1.00 0.00 O ATOM 886 CB LYS A 56 23.337 -38.678 -16.336 1.00 0.00 C ATOM 887 CG LYS A 56 23.430 -39.896 -17.277 1.00 0.00 C ATOM 888 CD LYS A 56 24.798 -40.021 -17.960 1.00 0.00 C ATOM 889 CE LYS A 56 25.089 -38.868 -18.929 1.00 0.00 C ATOM 890 NZ LYS A 56 26.378 -39.076 -19.639 1.00 0.00 N ATOM 0 H LYS A 56 21.049 -40.296 -16.188 1.00 0.00 H new ATOM 0 HA LYS A 56 22.113 -37.944 -14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 56 23.580 -37.778 -16.901 1.00 0.00 H new ATOM 0 HB3 LYS A 56 24.091 -38.778 -15.556 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.229 -40.804 -16.708 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.655 -39.820 -18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 56 25.577 -40.054 -17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 56 24.843 -40.965 -18.503 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.280 -38.786 -19.655 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.121 -37.927 -18.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.549 -38.281 -20.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 27.151 -39.130 -18.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.337 -39.963 -20.181 1.00 0.00 H new ATOM 904 N GLU A 57 19.819 -38.089 -16.819 1.00 0.00 N ATOM 905 CA GLU A 57 18.684 -37.323 -17.369 1.00 0.00 C ATOM 906 C GLU A 57 17.451 -37.285 -16.448 1.00 0.00 C ATOM 907 O GLU A 57 16.713 -36.297 -16.408 1.00 0.00 O ATOM 908 CB GLU A 57 18.251 -37.926 -18.703 1.00 0.00 C ATOM 909 CG GLU A 57 19.266 -37.701 -19.829 1.00 0.00 C ATOM 910 CD GLU A 57 18.737 -38.123 -21.210 1.00 0.00 C ATOM 911 OE1 GLU A 57 17.550 -37.873 -21.528 1.00 0.00 O ATOM 912 OE2 GLU A 57 19.507 -38.661 -22.038 1.00 0.00 O ATOM 0 H GLU A 57 19.621 -39.087 -16.749 1.00 0.00 H new ATOM 0 HA GLU A 57 19.046 -36.301 -17.481 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.092 -38.997 -18.575 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.294 -37.495 -18.995 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.540 -36.646 -19.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.175 -38.260 -19.608 1.00 0.00 H new ATOM 919 N TYR A 58 17.216 -38.379 -15.716 1.00 0.00 N ATOM 920 CA TYR A 58 16.053 -38.619 -14.851 1.00 0.00 C ATOM 921 C TYR A 58 15.864 -37.628 -13.678 1.00 0.00 C ATOM 922 O TYR A 58 14.875 -37.718 -12.952 1.00 0.00 O ATOM 923 CB TYR A 58 16.102 -40.078 -14.362 1.00 0.00 C ATOM 924 CG TYR A 58 17.004 -40.392 -13.170 1.00 0.00 C ATOM 925 CD1 TYR A 58 18.170 -39.638 -12.905 1.00 0.00 C ATOM 926 CD2 TYR A 58 16.662 -41.458 -12.318 1.00 0.00 C ATOM 927 CE1 TYR A 58 18.942 -39.903 -11.755 1.00 0.00 C ATOM 928 CE2 TYR A 58 17.452 -41.747 -11.192 1.00 0.00 C ATOM 929 CZ TYR A 58 18.588 -40.968 -10.899 1.00 0.00 C ATOM 930 OH TYR A 58 19.361 -41.276 -9.822 1.00 0.00 O ATOM 0 H TYR A 58 17.867 -39.164 -15.710 1.00 0.00 H new ATOM 0 HA TYR A 58 15.170 -38.438 -15.464 1.00 0.00 H new ATOM 0 HB2 TYR A 58 15.087 -40.381 -14.105 1.00 0.00 H new ATOM 0 HB3 TYR A 58 16.419 -40.702 -15.197 1.00 0.00 H new ATOM 0 HD1 TYR A 58 18.471 -38.856 -13.586 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.789 -42.057 -12.530 1.00 0.00 H new ATOM 0 HE1 TYR A 58 19.803 -39.292 -11.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 17.186 -42.572 -10.547 1.00 0.00 H new ATOM 0 HH TYR A 58 18.968 -42.035 -9.343 1.00 0.00 H new ATOM 940 N ASP A 59 16.759 -36.650 -13.497 1.00 0.00 N ATOM 941 CA ASP A 59 16.544 -35.516 -12.589 1.00 0.00 C ATOM 942 C ASP A 59 15.261 -34.741 -12.960 1.00 0.00 C ATOM 943 O ASP A 59 14.547 -34.249 -12.087 1.00 0.00 O ATOM 944 CB ASP A 59 17.780 -34.614 -12.591 1.00 0.00 C ATOM 945 CG ASP A 59 17.620 -33.401 -11.656 1.00 0.00 C ATOM 946 OD1 ASP A 59 17.665 -33.584 -10.418 1.00 0.00 O ATOM 947 OD2 ASP A 59 17.466 -32.267 -12.165 1.00 0.00 O ATOM 0 H ASP A 59 17.658 -36.622 -13.979 1.00 0.00 H new ATOM 0 HA ASP A 59 16.399 -35.892 -11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.651 -35.194 -12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 59 17.971 -34.265 -13.606 1.00 0.00 H new ATOM 952 N SER A 60 14.901 -34.746 -14.246 1.00 0.00 N ATOM 953 CA SER A 60 13.604 -34.288 -14.777 1.00 0.00 C ATOM 954 C SER A 60 12.372 -35.030 -14.217 1.00 0.00 C ATOM 955 O SER A 60 11.263 -34.500 -14.295 1.00 0.00 O ATOM 956 CB SER A 60 13.607 -34.383 -16.303 1.00 0.00 C ATOM 957 OG SER A 60 13.876 -35.703 -16.746 1.00 0.00 O ATOM 0 H SER A 60 15.526 -35.081 -14.979 1.00 0.00 H new ATOM 0 HA SER A 60 13.503 -33.255 -14.444 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.641 -34.059 -16.690 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.356 -33.703 -16.708 1.00 0.00 H new ATOM 0 HG SER A 60 14.832 -35.893 -16.647 1.00 0.00 H new ATOM 963 N SER A 61 12.557 -36.218 -13.627 1.00 0.00 N ATOM 964 CA SER A 61 11.551 -37.019 -12.910 1.00 0.00 C ATOM 965 C SER A 61 11.683 -36.933 -11.381 1.00 0.00 C ATOM 966 O SER A 61 10.673 -36.956 -10.678 1.00 0.00 O ATOM 967 CB SER A 61 11.646 -38.490 -13.312 1.00 0.00 C ATOM 968 OG SER A 61 11.597 -38.662 -14.725 1.00 0.00 O ATOM 0 H SER A 61 13.469 -36.675 -13.637 1.00 0.00 H new ATOM 0 HA SER A 61 10.586 -36.598 -13.194 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.575 -38.911 -12.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.829 -39.045 -12.851 1.00 0.00 H new ATOM 0 HG SER A 61 12.068 -39.485 -14.971 1.00 0.00 H new ATOM 974 N LEU A 62 12.907 -36.796 -10.851 1.00 0.00 N ATOM 975 CA LEU A 62 13.179 -36.548 -9.432 1.00 0.00 C ATOM 976 C LEU A 62 12.637 -35.197 -8.940 1.00 0.00 C ATOM 977 O LEU A 62 12.189 -35.073 -7.799 1.00 0.00 O ATOM 978 CB LEU A 62 14.708 -36.574 -9.248 1.00 0.00 C ATOM 979 CG LEU A 62 15.376 -37.958 -9.383 1.00 0.00 C ATOM 980 CD1 LEU A 62 16.880 -37.821 -9.144 1.00 0.00 C ATOM 981 CD2 LEU A 62 14.833 -38.984 -8.385 1.00 0.00 C ATOM 0 H LEU A 62 13.756 -36.857 -11.414 1.00 0.00 H new ATOM 0 HA LEU A 62 12.675 -37.317 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.155 -35.903 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.944 -36.172 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 62 15.156 -38.314 -10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.354 -38.798 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.305 -37.139 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.055 -37.429 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.342 -39.937 -8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.007 -38.630 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.763 -39.116 -8.545 1.00 0.00 H new ATOM 993 N ALA A 63 12.680 -34.191 -9.816 1.00 0.00 N ATOM 994 CA ALA A 63 12.355 -32.796 -9.548 1.00 0.00 C ATOM 995 C ALA A 63 11.633 -32.212 -10.776 1.00 0.00 C ATOM 996 O ALA A 63 12.201 -31.452 -11.569 1.00 0.00 O ATOM 997 CB ALA A 63 13.651 -32.064 -9.206 1.00 0.00 C ATOM 0 H ALA A 63 12.959 -34.341 -10.786 1.00 0.00 H new ATOM 0 HA ALA A 63 11.680 -32.685 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.434 -31.016 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.105 -32.519 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.341 -32.134 -10.047 1.00 0.00 H new ATOM 1003 N THR A 64 10.392 -32.666 -10.972 1.00 0.00 N ATOM 1004 CA THR A 64 9.557 -32.485 -12.164 1.00 0.00 C ATOM 1005 C THR A 64 9.712 -31.136 -12.863 1.00 0.00 C ATOM 1006 O THR A 64 9.365 -30.088 -12.312 1.00 0.00 O ATOM 1007 CB THR A 64 8.082 -32.700 -11.845 1.00 0.00 C ATOM 1008 OG1 THR A 64 7.905 -33.773 -10.938 1.00 0.00 O ATOM 1009 CG2 THR A 64 7.247 -33.008 -13.091 1.00 0.00 C ATOM 0 H THR A 64 9.911 -33.207 -10.253 1.00 0.00 H new ATOM 0 HA THR A 64 9.921 -33.244 -12.856 1.00 0.00 H new ATOM 0 HB THR A 64 7.741 -31.762 -11.406 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.950 -33.888 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.205 -33.152 -12.804 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.319 -32.176 -13.792 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.622 -33.915 -13.565 1.00 0.00 H new ATOM 1017 N LEU A 65 10.234 -31.213 -14.086 1.00 0.00 N ATOM 1018 CA LEU A 65 10.541 -30.121 -15.027 1.00 0.00 C ATOM 1019 C LEU A 65 11.178 -28.855 -14.395 1.00 0.00 C ATOM 1020 O LEU A 65 11.028 -27.756 -14.923 1.00 0.00 O ATOM 1021 CB LEU A 65 9.282 -29.807 -15.871 1.00 0.00 C ATOM 1022 CG LEU A 65 8.629 -31.010 -16.574 1.00 0.00 C ATOM 1023 CD1 LEU A 65 7.406 -30.555 -17.363 1.00 0.00 C ATOM 1024 CD2 LEU A 65 9.584 -31.741 -17.518 1.00 0.00 C ATOM 0 H LEU A 65 10.477 -32.120 -14.485 1.00 0.00 H new ATOM 0 HA LEU A 65 11.337 -30.483 -15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.539 -29.343 -15.222 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.550 -29.070 -16.628 1.00 0.00 H new ATOM 0 HG LEU A 65 8.343 -31.708 -15.788 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.951 -31.414 -17.857 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.683 -30.102 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.708 -29.824 -18.113 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.065 -32.579 -17.983 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.929 -31.054 -18.291 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.440 -32.112 -16.954 1.00 0.00 H new ATOM 1036 N ASP A 66 11.892 -28.997 -13.271 1.00 0.00 N ATOM 1037 CA ASP A 66 12.384 -27.898 -12.424 1.00 0.00 C ATOM 1038 C ASP A 66 11.316 -26.824 -12.119 1.00 0.00 C ATOM 1039 O ASP A 66 11.549 -25.615 -12.230 1.00 0.00 O ATOM 1040 CB ASP A 66 13.733 -27.364 -12.944 1.00 0.00 C ATOM 1041 CG ASP A 66 14.618 -26.744 -11.835 1.00 0.00 C ATOM 1042 OD1 ASP A 66 14.189 -26.627 -10.659 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.786 -26.408 -12.136 1.00 0.00 O ATOM 0 H ASP A 66 12.154 -29.915 -12.911 1.00 0.00 H new ATOM 0 HA ASP A 66 12.592 -28.306 -11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.278 -28.179 -13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.546 -26.613 -13.712 1.00 0.00 H new ATOM 1048 N HIS A 67 10.103 -27.271 -11.755 1.00 0.00 N ATOM 1049 CA HIS A 67 9.048 -26.381 -11.280 1.00 0.00 C ATOM 1050 C HIS A 67 9.307 -25.856 -9.865 1.00 0.00 C ATOM 1051 O HIS A 67 9.788 -26.594 -9.004 1.00 0.00 O ATOM 1052 CB HIS A 67 7.666 -27.059 -11.335 1.00 0.00 C ATOM 1053 CG HIS A 67 7.130 -27.364 -12.716 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.322 -28.454 -13.053 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.275 -26.574 -13.816 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.037 -28.310 -14.361 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.609 -27.196 -14.847 1.00 0.00 N ATOM 0 H HIS A 67 9.834 -28.254 -11.784 1.00 0.00 H new ATOM 0 HA HIS A 67 9.054 -25.528 -11.959 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.719 -27.992 -10.774 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.949 -26.418 -10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.811 -25.638 -13.869 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.433 -28.994 -14.939 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.558 -26.868 -15.812 1.00 0.00 H new ATOM 1065 N THR A 68 8.901 -24.605 -9.596 1.00 0.00 N ATOM 1066 CA THR A 68 8.900 -24.014 -8.242 1.00 0.00 C ATOM 1067 C THR A 68 7.603 -23.243 -7.983 1.00 0.00 C ATOM 1068 O THR A 68 7.115 -22.526 -8.858 1.00 0.00 O ATOM 1069 CB THR A 68 10.106 -23.077 -8.073 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.315 -23.786 -8.250 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.192 -22.453 -6.682 1.00 0.00 C ATOM 0 H THR A 68 8.561 -23.967 -10.316 1.00 0.00 H new ATOM 0 HA THR A 68 8.970 -24.825 -7.517 1.00 0.00 H new ATOM 0 HB THR A 68 9.965 -22.298 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.069 -23.218 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.065 -21.803 -6.628 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.292 -21.869 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.280 -23.241 -5.934 1.00 0.00 H new ATOM 1079 N GLU A 69 7.031 -23.389 -6.786 1.00 0.00 N ATOM 1080 CA GLU A 69 5.797 -22.706 -6.366 1.00 0.00 C ATOM 1081 C GLU A 69 6.095 -21.351 -5.692 1.00 0.00 C ATOM 1082 O GLU A 69 7.165 -21.143 -5.111 1.00 0.00 O ATOM 1083 CB GLU A 69 5.023 -23.600 -5.384 1.00 0.00 C ATOM 1084 CG GLU A 69 4.556 -24.915 -6.025 1.00 0.00 C ATOM 1085 CD GLU A 69 3.805 -25.805 -5.013 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.452 -26.407 -4.123 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.561 -25.926 -5.109 1.00 0.00 O ATOM 0 H GLU A 69 7.418 -23.997 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 69 5.201 -22.517 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.656 -23.823 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.157 -23.056 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.905 -24.697 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.418 -25.456 -6.417 1.00 0.00 H new ATOM 1094 N ILE A 70 5.128 -20.433 -5.735 1.00 0.00 N ATOM 1095 CA ILE A 70 5.196 -19.092 -5.139 1.00 0.00 C ATOM 1096 C ILE A 70 3.952 -18.897 -4.268 1.00 0.00 C ATOM 1097 O ILE A 70 2.856 -19.249 -4.712 1.00 0.00 O ATOM 1098 CB ILE A 70 5.284 -17.972 -6.206 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.513 -18.140 -7.127 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.381 -16.590 -5.527 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.314 -19.102 -8.295 1.00 0.00 C ATOM 0 H ILE A 70 4.239 -20.608 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 70 6.106 -19.021 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 70 4.378 -18.044 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.788 -17.163 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.353 -18.489 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.442 -15.813 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.497 -16.425 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.272 -16.554 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.230 -19.154 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.072 -20.094 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.498 -18.747 -8.924 1.00 0.00 H new ATOM 1113 N LYS A 71 4.087 -18.313 -3.072 1.00 0.00 N ATOM 1114 CA LYS A 71 2.987 -18.142 -2.114 1.00 0.00 C ATOM 1115 C LYS A 71 2.952 -16.760 -1.447 1.00 0.00 C ATOM 1116 O LYS A 71 3.966 -16.062 -1.386 1.00 0.00 O ATOM 1117 CB LYS A 71 3.026 -19.280 -1.081 1.00 0.00 C ATOM 1118 CG LYS A 71 4.309 -19.361 -0.235 1.00 0.00 C ATOM 1119 CD LYS A 71 4.134 -20.199 1.043 1.00 0.00 C ATOM 1120 CE LYS A 71 3.409 -21.524 0.783 1.00 0.00 C ATOM 1121 NZ LYS A 71 3.375 -22.375 2.001 1.00 0.00 N ATOM 0 H LYS A 71 4.975 -17.940 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 71 2.055 -18.196 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.175 -19.167 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.896 -20.227 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.109 -19.791 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.622 -18.353 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.113 -20.404 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.575 -19.621 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.391 -21.323 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.908 -22.061 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.877 -23.264 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.347 -22.586 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.877 -21.872 2.762 1.00 0.00 H new ATOM 1135 N ALA A 72 1.769 -16.372 -0.973 1.00 0.00 N ATOM 1136 CA ALA A 72 1.477 -15.090 -0.328 1.00 0.00 C ATOM 1137 C ALA A 72 2.266 -14.864 0.985 1.00 0.00 C ATOM 1138 O ALA A 72 2.821 -15.805 1.559 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.046 -15.030 -0.073 1.00 0.00 C ATOM 0 H ALA A 72 0.946 -16.972 -1.031 1.00 0.00 H new ATOM 0 HA ALA A 72 1.798 -14.288 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.297 -14.085 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.577 -15.107 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.339 -15.856 0.575 1.00 0.00 H new ATOM 1145 N PRO A 73 2.280 -13.623 1.500 1.00 0.00 N ATOM 1146 CA PRO A 73 2.789 -13.313 2.840 1.00 0.00 C ATOM 1147 C PRO A 73 1.800 -13.598 3.985 1.00 0.00 C ATOM 1148 O PRO A 73 2.189 -14.095 5.042 1.00 0.00 O ATOM 1149 CB PRO A 73 3.019 -11.803 2.799 1.00 0.00 C ATOM 1150 CG PRO A 73 1.979 -11.293 1.800 1.00 0.00 C ATOM 1151 CD PRO A 73 1.989 -12.402 0.758 1.00 0.00 C ATOM 0 HA PRO A 73 3.664 -13.930 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.882 -11.352 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.032 -11.563 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.997 -11.169 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.257 -10.328 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.028 -12.471 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.743 -12.217 -0.007 1.00 0.00 H new ATOM 1159 N PHE A 74 0.527 -13.251 3.780 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.509 -13.158 4.812 1.00 0.00 C ATOM 1161 C PHE A 74 -1.949 -13.269 4.263 1.00 0.00 C ATOM 1162 O PHE A 74 -2.156 -13.397 3.056 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.307 -11.825 5.561 1.00 0.00 C ATOM 1164 CG PHE A 74 -0.269 -10.565 4.681 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.383 -10.162 3.915 1.00 0.00 C ATOM 1166 CD2 PHE A 74 0.926 -9.821 4.556 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -1.300 -9.080 3.024 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.002 -8.708 3.699 1.00 0.00 C ATOM 1169 CZ PHE A 74 -0.111 -8.343 2.922 1.00 0.00 C ATOM 0 H PHE A 74 0.175 -13.017 2.852 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.399 -14.010 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.110 -11.713 6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.626 -11.882 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.317 -10.695 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.795 -10.112 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.153 -8.815 2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.915 -8.134 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.051 -7.500 2.250 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.945 -13.214 5.161 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.380 -13.206 4.824 1.00 0.00 C ATOM 1181 C ASP A 75 -4.878 -11.800 4.448 1.00 0.00 C ATOM 1182 O ASP A 75 -4.559 -10.807 5.113 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.179 -13.751 6.012 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.680 -13.979 5.762 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.426 -12.993 5.555 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.129 -15.146 5.857 1.00 0.00 O ATOM 0 H ASP A 75 -2.772 -13.173 6.165 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.527 -13.841 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.734 -14.697 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.070 -13.059 6.847 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.667 -11.716 3.383 1.00 0.00 N ATOM 1192 CA GLY A 76 -6.118 -10.446 2.821 1.00 0.00 C ATOM 1193 C GLY A 76 -6.811 -10.593 1.475 1.00 0.00 C ATOM 1194 O GLY A 76 -7.384 -11.636 1.156 1.00 0.00 O ATOM 0 H GLY A 76 -6.015 -12.533 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.802 -9.969 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.261 -9.782 2.709 1.00 0.00 H new ATOM 1198 N THR A 77 -6.709 -9.542 0.671 1.00 0.00 N ATOM 1199 CA THR A 77 -7.215 -9.471 -0.708 1.00 0.00 C ATOM 1200 C THR A 77 -6.048 -9.324 -1.659 1.00 0.00 C ATOM 1201 O THR A 77 -4.962 -8.901 -1.269 1.00 0.00 O ATOM 1202 CB THR A 77 -8.196 -8.290 -0.835 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.224 -8.437 0.119 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.900 -8.155 -2.184 1.00 0.00 C ATOM 0 H THR A 77 -6.255 -8.678 0.967 1.00 0.00 H new ATOM 0 HA THR A 77 -7.752 -10.385 -0.962 1.00 0.00 H new ATOM 0 HB THR A 77 -7.572 -7.407 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.548 -7.553 0.389 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.566 -7.292 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.157 -8.020 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.480 -9.056 -2.383 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.248 -9.725 -2.910 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.179 -9.787 -3.901 1.00 0.00 C ATOM 1214 C ILE A 78 -5.605 -9.093 -5.194 1.00 0.00 C ATOM 1215 O ILE A 78 -6.728 -9.251 -5.668 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.702 -11.240 -4.018 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.429 -11.283 -4.865 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.781 -12.221 -4.512 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.588 -12.515 -4.577 1.00 0.00 C ATOM 0 H ILE A 78 -7.158 -10.017 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.299 -9.221 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.476 -11.595 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.697 -11.267 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.837 -10.388 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.362 -13.226 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.622 -12.216 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.124 -11.917 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.695 -12.501 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.295 -12.518 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.169 -13.411 -4.795 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.720 -8.245 -5.713 1.00 0.00 N ATOM 1232 CA GLY A 79 -5.045 -7.305 -6.786 1.00 0.00 C ATOM 1233 C GLY A 79 -4.988 -7.908 -8.184 1.00 0.00 C ATOM 1234 O GLY A 79 -4.908 -9.123 -8.377 1.00 0.00 O ATOM 0 H GLY A 79 -3.751 -8.189 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.045 -6.907 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.355 -6.463 -6.737 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.025 -7.032 -9.185 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.765 -7.388 -10.573 1.00 0.00 C ATOM 1240 C ASP A 80 -3.369 -7.974 -10.765 1.00 0.00 C ATOM 1241 O ASP A 80 -2.350 -7.370 -10.422 1.00 0.00 O ATOM 1242 CB ASP A 80 -4.981 -6.208 -11.519 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.371 -4.865 -11.049 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -4.723 -4.375 -9.946 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.558 -4.277 -11.800 1.00 0.00 O ATOM 0 H ASP A 80 -5.239 -6.044 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.491 -8.160 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.558 -6.460 -12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.053 -6.071 -11.664 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.361 -9.165 -11.352 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.175 -9.876 -11.771 1.00 0.00 C ATOM 1252 C ALA A 81 -1.308 -9.029 -12.734 1.00 0.00 C ATOM 1253 O ALA A 81 -1.807 -8.173 -13.472 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.669 -11.140 -12.463 1.00 0.00 C ATOM 0 H ALA A 81 -4.220 -9.677 -11.554 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.539 -10.104 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.815 -11.725 -12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.257 -11.732 -11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.289 -10.868 -13.318 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.017 -9.346 -12.799 1.00 0.00 N ATOM 1261 CA LEU A 82 0.980 -8.696 -13.666 1.00 0.00 C ATOM 1262 C LEU A 82 1.615 -9.671 -14.687 1.00 0.00 C ATOM 1263 O LEU A 82 2.454 -9.277 -15.501 1.00 0.00 O ATOM 1264 CB LEU A 82 2.039 -8.047 -12.759 1.00 0.00 C ATOM 1265 CG LEU A 82 1.632 -6.912 -11.823 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.811 -6.553 -10.912 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.294 -5.726 -12.680 1.00 0.00 C ATOM 0 H LEU A 82 0.385 -10.091 -12.230 1.00 0.00 H new ATOM 0 HA LEU A 82 0.487 -7.937 -14.273 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.472 -8.837 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.834 -7.671 -13.403 1.00 0.00 H new ATOM 0 HG LEU A 82 0.783 -7.206 -11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.521 -5.742 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.094 -7.425 -10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.658 -6.236 -11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.997 -4.891 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.166 -5.442 -13.269 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.473 -5.983 -13.349 1.00 0.00 H new ATOM 1279 N VAL A 83 1.214 -10.948 -14.650 1.00 0.00 N ATOM 1280 CA VAL A 83 1.799 -12.093 -15.385 1.00 0.00 C ATOM 1281 C VAL A 83 0.723 -13.101 -15.782 1.00 0.00 C ATOM 1282 O VAL A 83 -0.346 -13.175 -15.170 1.00 0.00 O ATOM 1283 CB VAL A 83 2.874 -12.803 -14.534 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.990 -11.859 -14.083 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.319 -13.466 -13.265 1.00 0.00 C ATOM 0 H VAL A 83 0.424 -11.234 -14.072 1.00 0.00 H new ATOM 0 HA VAL A 83 2.262 -11.695 -16.288 1.00 0.00 H new ATOM 0 HB VAL A 83 3.262 -13.566 -15.208 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.717 -12.413 -13.489 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.484 -11.435 -14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.566 -11.055 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.132 -13.944 -12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.853 -12.710 -12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.577 -14.215 -13.541 1.00 0.00 H new ATOM 1295 N ASN A 84 1.031 -13.919 -16.783 1.00 0.00 N ATOM 1296 CA ASN A 84 0.196 -14.978 -17.321 1.00 0.00 C ATOM 1297 C ASN A 84 1.034 -16.231 -17.561 1.00 0.00 C ATOM 1298 O ASN A 84 2.262 -16.178 -17.599 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.372 -14.527 -18.676 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.877 -13.099 -18.745 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.048 -12.815 -18.536 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.022 -12.165 -19.081 1.00 0.00 N ATOM 0 H ASN A 84 1.926 -13.853 -17.267 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.604 -15.192 -16.612 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.403 -14.654 -19.432 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.191 -15.194 -18.944 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.332 -11.197 -19.169 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.954 -12.405 -19.255 1.00 0.00 H new ATOM 1309 N ILE A 85 0.368 -17.354 -17.809 1.00 0.00 N ATOM 1310 CA ILE A 85 0.961 -18.650 -18.130 1.00 0.00 C ATOM 1311 C ILE A 85 1.856 -18.512 -19.375 1.00 0.00 C ATOM 1312 O ILE A 85 1.372 -18.364 -20.498 1.00 0.00 O ATOM 1313 CB ILE A 85 -0.175 -19.658 -18.344 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -1.003 -19.950 -17.069 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.361 -21.016 -18.837 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.843 -18.805 -16.486 1.00 0.00 C ATOM 0 H ILE A 85 -0.651 -17.388 -17.791 1.00 0.00 H new ATOM 0 HA ILE A 85 1.592 -19.007 -17.316 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.814 -19.181 -19.087 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.674 -20.781 -17.288 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.316 -20.291 -16.294 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.471 -21.706 -18.978 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.883 -20.879 -19.784 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.050 -21.425 -18.098 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.368 -19.155 -15.597 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.190 -17.974 -16.219 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.569 -18.472 -17.228 1.00 0.00 H new ATOM 1328 N GLY A 86 3.167 -18.515 -19.150 1.00 0.00 N ATOM 1329 CA GLY A 86 4.213 -18.430 -20.172 1.00 0.00 C ATOM 1330 C GLY A 86 5.093 -17.189 -20.022 1.00 0.00 C ATOM 1331 O GLY A 86 6.130 -17.107 -20.677 1.00 0.00 O ATOM 0 H GLY A 86 3.550 -18.580 -18.207 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.839 -19.321 -20.119 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.750 -18.424 -21.159 1.00 0.00 H new ATOM 1335 N ASP A 87 4.721 -16.224 -19.172 1.00 0.00 N ATOM 1336 CA ASP A 87 5.521 -15.016 -18.948 1.00 0.00 C ATOM 1337 C ASP A 87 6.838 -15.333 -18.217 1.00 0.00 C ATOM 1338 O ASP A 87 6.824 -15.891 -17.120 1.00 0.00 O ATOM 1339 CB ASP A 87 4.725 -13.978 -18.147 1.00 0.00 C ATOM 1340 CG ASP A 87 3.909 -13.042 -19.048 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.504 -12.350 -19.906 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.674 -12.963 -18.864 1.00 0.00 O ATOM 0 H ASP A 87 3.862 -16.259 -18.623 1.00 0.00 H new ATOM 0 HA ASP A 87 5.764 -14.606 -19.928 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.054 -14.492 -17.459 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.411 -13.387 -17.541 1.00 0.00 H new ATOM 1347 N TYR A 88 7.973 -14.959 -18.814 1.00 0.00 N ATOM 1348 CA TYR A 88 9.271 -14.960 -18.138 1.00 0.00 C ATOM 1349 C TYR A 88 9.299 -13.934 -16.996 1.00 0.00 C ATOM 1350 O TYR A 88 8.853 -12.795 -17.159 1.00 0.00 O ATOM 1351 CB TYR A 88 10.382 -14.700 -19.156 1.00 0.00 C ATOM 1352 CG TYR A 88 11.734 -14.633 -18.484 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.298 -15.823 -17.997 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.333 -13.390 -18.192 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.435 -15.779 -17.176 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.496 -13.349 -17.397 1.00 0.00 C ATOM 1357 CZ TYR A 88 14.048 -14.542 -16.879 1.00 0.00 C ATOM 1358 OH TYR A 88 15.155 -14.495 -16.094 1.00 0.00 O ATOM 0 H TYR A 88 8.016 -14.646 -19.784 1.00 0.00 H new ATOM 0 HA TYR A 88 9.437 -15.940 -17.690 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.384 -15.491 -19.906 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.187 -13.765 -19.680 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.856 -16.774 -18.255 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.904 -12.476 -18.575 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.842 -16.693 -16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.967 -12.401 -17.183 1.00 0.00 H new ATOM 0 HH TYR A 88 15.446 -13.564 -15.994 1.00 0.00 H new ATOM 1368 N VAL A 89 9.858 -14.346 -15.857 1.00 0.00 N ATOM 1369 CA VAL A 89 10.025 -13.556 -14.632 1.00 0.00 C ATOM 1370 C VAL A 89 11.377 -13.807 -13.968 1.00 0.00 C ATOM 1371 O VAL A 89 12.023 -14.839 -14.164 1.00 0.00 O ATOM 1372 CB VAL A 89 8.911 -13.802 -13.602 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.538 -13.428 -14.147 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.847 -15.239 -13.083 1.00 0.00 C ATOM 0 H VAL A 89 10.227 -15.292 -15.757 1.00 0.00 H new ATOM 0 HA VAL A 89 9.969 -12.517 -14.957 1.00 0.00 H new ATOM 0 HB VAL A 89 9.176 -13.154 -12.767 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.781 -13.618 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.528 -12.371 -14.413 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.322 -14.027 -15.032 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.035 -15.329 -12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.669 -15.919 -13.916 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.791 -15.494 -12.601 1.00 0.00 H new ATOM 1384 N SER A 90 11.767 -12.871 -13.112 1.00 0.00 N ATOM 1385 CA SER A 90 12.999 -12.877 -12.326 1.00 0.00 C ATOM 1386 C SER A 90 12.687 -12.529 -10.863 1.00 0.00 C ATOM 1387 O SER A 90 11.720 -11.820 -10.571 1.00 0.00 O ATOM 1388 CB SER A 90 13.952 -11.887 -12.984 1.00 0.00 C ATOM 1389 OG SER A 90 15.084 -11.671 -12.166 1.00 0.00 O ATOM 0 H SER A 90 11.202 -12.040 -12.936 1.00 0.00 H new ATOM 0 HA SER A 90 13.469 -13.860 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.266 -12.267 -13.956 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.439 -10.942 -13.161 1.00 0.00 H new ATOM 0 HG SER A 90 15.794 -11.250 -12.694 1.00 0.00 H new ATOM 1395 N ALA A 91 13.511 -13.028 -9.942 1.00 0.00 N ATOM 1396 CA ALA A 91 13.225 -13.069 -8.502 1.00 0.00 C ATOM 1397 C ALA A 91 12.953 -11.785 -7.731 1.00 0.00 C ATOM 1398 O ALA A 91 12.312 -11.837 -6.681 1.00 0.00 O ATOM 1399 CB ALA A 91 14.262 -13.960 -7.822 1.00 0.00 C ATOM 0 H ALA A 91 14.420 -13.426 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 91 12.219 -13.486 -8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.062 -14.000 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.207 -14.966 -8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.259 -13.552 -7.990 1.00 0.00 H new ATOM 1405 N SER A 92 13.382 -10.646 -8.242 1.00 0.00 N ATOM 1406 CA SER A 92 12.909 -9.360 -7.721 1.00 0.00 C ATOM 1407 C SER A 92 12.549 -8.363 -8.829 1.00 0.00 C ATOM 1408 O SER A 92 12.095 -7.255 -8.538 1.00 0.00 O ATOM 1409 CB SER A 92 13.929 -8.771 -6.736 1.00 0.00 C ATOM 1410 OG SER A 92 15.159 -8.499 -7.392 1.00 0.00 O ATOM 0 H SER A 92 14.050 -10.576 -9.009 1.00 0.00 H new ATOM 0 HA SER A 92 11.981 -9.553 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.533 -7.854 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.095 -9.469 -5.915 1.00 0.00 H new ATOM 0 HG SER A 92 15.796 -8.123 -6.750 1.00 0.00 H new ATOM 1416 N THR A 93 12.727 -8.758 -10.093 1.00 0.00 N ATOM 1417 CA THR A 93 12.753 -7.829 -11.250 1.00 0.00 C ATOM 1418 C THR A 93 11.459 -7.642 -12.057 1.00 0.00 C ATOM 1419 O THR A 93 11.357 -6.680 -12.824 1.00 0.00 O ATOM 1420 CB THR A 93 13.855 -8.256 -12.244 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.923 -8.930 -11.605 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.478 -7.080 -12.992 1.00 0.00 C ATOM 0 H THR A 93 12.859 -9.735 -10.354 1.00 0.00 H new ATOM 0 HA THR A 93 12.933 -6.867 -10.770 1.00 0.00 H new ATOM 0 HB THR A 93 13.337 -8.914 -12.942 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.850 -9.893 -11.774 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.245 -7.448 -13.674 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.706 -6.560 -13.560 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.929 -6.392 -12.277 1.00 0.00 H new ATOM 1430 N THR A 94 10.456 -8.504 -11.901 1.00 0.00 N ATOM 1431 CA THR A 94 9.335 -8.595 -12.866 1.00 0.00 C ATOM 1432 C THR A 94 7.953 -8.370 -12.285 1.00 0.00 C ATOM 1433 O THR A 94 7.110 -7.782 -12.962 1.00 0.00 O ATOM 1434 CB THR A 94 9.357 -9.936 -13.613 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.669 -10.263 -14.024 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.461 -9.905 -14.851 1.00 0.00 C ATOM 0 H THR A 94 10.386 -9.155 -11.119 1.00 0.00 H new ATOM 0 HA THR A 94 9.511 -7.765 -13.551 1.00 0.00 H new ATOM 0 HB THR A 94 8.985 -10.687 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.694 -10.348 -15.000 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.502 -10.871 -15.354 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.434 -9.695 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.807 -9.127 -15.531 1.00 0.00 H new ATOM 1444 N GLU A 95 7.794 -8.687 -11.002 1.00 0.00 N ATOM 1445 CA GLU A 95 6.616 -8.455 -10.164 1.00 0.00 C ATOM 1446 C GLU A 95 5.335 -9.144 -10.676 1.00 0.00 C ATOM 1447 O GLU A 95 4.938 -9.054 -11.836 1.00 0.00 O ATOM 1448 CB GLU A 95 6.443 -6.945 -9.942 1.00 0.00 C ATOM 1449 CG GLU A 95 7.730 -6.109 -9.991 1.00 0.00 C ATOM 1450 CD GLU A 95 7.571 -4.697 -9.406 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.770 -3.891 -9.936 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.295 -4.372 -8.429 1.00 0.00 O ATOM 0 H GLU A 95 8.540 -9.147 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 95 6.792 -8.934 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.755 -6.563 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.970 -6.792 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.514 -6.633 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.062 -6.029 -11.026 1.00 0.00 H new ATOM 1459 N LEU A 96 4.699 -9.898 -9.779 1.00 0.00 N ATOM 1460 CA LEU A 96 3.622 -10.848 -10.152 1.00 0.00 C ATOM 1461 C LEU A 96 2.185 -10.366 -9.943 1.00 0.00 C ATOM 1462 O LEU A 96 1.302 -10.711 -10.730 1.00 0.00 O ATOM 1463 CB LEU A 96 3.796 -12.150 -9.373 1.00 0.00 C ATOM 1464 CG LEU A 96 5.211 -12.748 -9.408 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.371 -13.737 -8.267 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.524 -13.416 -10.744 1.00 0.00 C ATOM 0 H LEU A 96 4.905 -9.877 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 96 3.741 -10.971 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.519 -11.973 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.097 -12.887 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 96 5.923 -11.931 -9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.375 -14.161 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.217 -13.225 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.637 -14.536 -8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.535 -13.823 -10.719 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.812 -14.222 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.449 -12.681 -11.545 1.00 0.00 H new ATOM 1478 N VAL A 97 1.954 -9.616 -8.864 1.00 0.00 N ATOM 1479 CA VAL A 97 0.669 -9.054 -8.394 1.00 0.00 C ATOM 1480 C VAL A 97 0.934 -8.269 -7.093 1.00 0.00 C ATOM 1481 O VAL A 97 2.059 -8.270 -6.596 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.423 -10.133 -8.221 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.101 -11.188 -7.193 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.776 -9.577 -7.801 1.00 0.00 C ATOM 0 H VAL A 97 2.719 -9.360 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 97 0.273 -8.378 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.460 -10.564 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.921 -11.904 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.814 -11.706 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.037 -10.717 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.490 -10.394 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.677 -9.062 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.132 -8.876 -8.556 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.083 -7.633 -6.509 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.063 -7.040 -5.166 1.00 0.00 C ATOM 1496 C ARG A 98 -0.914 -7.795 -4.141 1.00 0.00 C ATOM 1497 O ARG A 98 -2.027 -8.190 -4.482 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.479 -5.556 -5.272 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.902 -5.382 -5.826 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.244 -3.902 -6.018 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.394 -3.720 -6.935 1.00 0.00 N ATOM 1502 CZ ARG A 98 -4.501 -3.028 -6.730 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -4.758 -2.438 -5.597 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.384 -2.923 -7.684 1.00 0.00 N ATOM 0 H ARG A 98 -0.981 -7.511 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 98 0.955 -7.117 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.417 -5.093 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.225 -5.030 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.991 -5.905 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.619 -5.838 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.474 -3.453 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.375 -3.376 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.322 -4.188 -7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.092 -2.501 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.625 -1.913 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.219 -3.374 -8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.240 -2.390 -7.530 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.451 -7.944 -2.888 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.250 -8.570 -1.812 1.00 0.00 C ATOM 1520 C VAL A 99 -1.547 -7.509 -0.765 1.00 0.00 C ATOM 1521 O VAL A 99 -0.688 -6.694 -0.422 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.579 -9.827 -1.209 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.625 -10.710 -0.523 1.00 0.00 C ATOM 1524 CG2 VAL A 99 0.093 -10.693 -2.289 1.00 0.00 C ATOM 0 H VAL A 99 0.476 -7.639 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.184 -8.941 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 99 0.168 -9.468 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.139 -11.591 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.109 -10.147 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.373 -11.021 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.552 -11.565 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.655 -11.019 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.859 -10.109 -2.799 1.00 0.00 H new ATOM 1534 N THR A 100 -2.785 -7.457 -0.284 1.00 0.00 N ATOM 1535 CA THR A 100 -3.264 -6.341 0.529 1.00 0.00 C ATOM 1536 C THR A 100 -4.180 -6.784 1.671 1.00 0.00 C ATOM 1537 O THR A 100 -5.302 -7.249 1.469 1.00 0.00 O ATOM 1538 CB THR A 100 -3.799 -5.243 -0.420 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.482 -3.985 0.120 1.00 0.00 O ATOM 1540 CG2 THR A 100 -5.295 -5.263 -0.708 1.00 0.00 C ATOM 0 H THR A 100 -3.483 -8.183 -0.445 1.00 0.00 H new ATOM 0 HA THR A 100 -2.447 -5.886 1.089 1.00 0.00 H new ATOM 0 HB THR A 100 -3.314 -5.446 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.815 -3.281 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.546 -4.446 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.564 -6.213 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.847 -5.145 0.225 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.667 -6.737 2.902 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.415 -7.138 4.097 1.00 0.00 C ATOM 1550 C ASN A 101 -5.625 -6.211 4.340 1.00 0.00 C ATOM 1551 O ASN A 101 -5.493 -4.982 4.296 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.454 -7.171 5.298 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.197 -7.331 6.611 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.315 -6.408 7.402 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.764 -8.490 6.864 1.00 0.00 N ATOM 0 H ASN A 101 -2.718 -6.419 3.100 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.826 -8.137 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.749 -7.994 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.870 -6.251 5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.302 -8.618 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.666 -9.261 6.203 1.00 0.00 H new ATOM 1562 N LEU A 102 -6.799 -6.799 4.605 1.00 0.00 N ATOM 1563 CA LEU A 102 -8.028 -6.071 4.922 1.00 0.00 C ATOM 1564 C LEU A 102 -7.928 -5.373 6.294 1.00 0.00 C ATOM 1565 O LEU A 102 -7.861 -4.147 6.370 1.00 0.00 O ATOM 1566 CB LEU A 102 -9.201 -7.078 4.884 1.00 0.00 C ATOM 1567 CG LEU A 102 -9.693 -7.403 3.467 1.00 0.00 C ATOM 1568 CD1 LEU A 102 -10.542 -8.676 3.481 1.00 0.00 C ATOM 1569 CD2 LEU A 102 -10.549 -6.270 2.896 1.00 0.00 C ATOM 0 H LEU A 102 -6.920 -7.812 4.604 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.194 -5.282 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.890 -8.002 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.032 -6.676 5.464 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.809 -7.537 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.885 -8.896 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.943 -9.509 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.403 -8.532 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.880 -6.535 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.418 -6.113 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.959 -5.354 2.854 1.00 0.00 H new ATOM 1581 N ASN A 103 -7.907 -6.165 7.369 1.00 0.00 N ATOM 1582 CA ASN A 103 -7.724 -5.747 8.762 1.00 0.00 C ATOM 1583 C ASN A 103 -6.845 -6.778 9.518 1.00 0.00 C ATOM 1584 O ASN A 103 -6.662 -7.898 9.025 1.00 0.00 O ATOM 1585 CB ASN A 103 -9.116 -5.590 9.406 1.00 0.00 C ATOM 1586 CG ASN A 103 -9.983 -4.528 8.750 1.00 0.00 C ATOM 1587 OD1 ASN A 103 -9.890 -3.347 9.058 1.00 0.00 O ATOM 1588 ND2 ASN A 103 -10.863 -4.903 7.853 1.00 0.00 N ATOM 0 H ASN A 103 -8.024 -7.175 7.286 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.204 -4.791 8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.636 -6.547 9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.992 -5.343 10.460 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.469 -4.211 7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.941 -5.887 7.596 1.00 0.00 H new ATOM 1595 N PRO A 104 -6.354 -6.477 10.738 1.00 0.00 N ATOM 1596 CA PRO A 104 -5.591 -7.417 11.572 1.00 0.00 C ATOM 1597 C PRO A 104 -6.501 -8.388 12.368 1.00 0.00 C ATOM 1598 O PRO A 104 -6.115 -8.941 13.402 1.00 0.00 O ATOM 1599 CB PRO A 104 -4.723 -6.515 12.453 1.00 0.00 C ATOM 1600 CG PRO A 104 -5.578 -5.261 12.658 1.00 0.00 C ATOM 1601 CD PRO A 104 -6.497 -5.208 11.439 1.00 0.00 C ATOM 0 HA PRO A 104 -4.980 -8.100 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.485 -6.995 13.402 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.776 -6.277 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.152 -5.321 13.583 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.958 -4.367 12.725 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.532 -5.051 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.226 -4.376 10.789 1.00 0.00 H new ATOM 1609 N ILE A 105 -7.729 -8.571 11.880 1.00 0.00 N ATOM 1610 CA ILE A 105 -8.856 -9.334 12.430 1.00 0.00 C ATOM 1611 C ILE A 105 -9.653 -9.952 11.256 1.00 0.00 C ATOM 1612 O ILE A 105 -9.341 -9.695 10.091 1.00 0.00 O ATOM 1613 CB ILE A 105 -9.750 -8.436 13.316 1.00 0.00 C ATOM 1614 CG1 ILE A 105 -10.108 -7.108 12.611 1.00 0.00 C ATOM 1615 CG2 ILE A 105 -9.084 -8.166 14.675 1.00 0.00 C ATOM 1616 CD1 ILE A 105 -11.260 -6.342 13.270 1.00 0.00 C ATOM 0 H ILE A 105 -7.989 -8.142 10.992 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.484 -10.135 13.070 1.00 0.00 H new ATOM 0 HB ILE A 105 -10.680 -8.978 13.489 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -9.225 -6.469 12.592 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -10.372 -7.319 11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -9.733 -7.532 15.279 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.916 -9.111 15.192 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -8.129 -7.663 14.519 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.449 -5.423 12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.158 -6.960 13.265 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -10.993 -6.098 14.298 1.00 0.00 H new ATOM 1628 N TYR A 106 -10.659 -10.781 11.548 1.00 0.00 N ATOM 1629 CA TYR A 106 -11.444 -11.603 10.606 1.00 0.00 C ATOM 1630 C TYR A 106 -10.664 -12.692 9.833 1.00 0.00 C ATOM 1631 O TYR A 106 -11.261 -13.674 9.386 1.00 0.00 O ATOM 1632 CB TYR A 106 -12.246 -10.729 9.626 1.00 0.00 C ATOM 1633 CG TYR A 106 -12.808 -9.415 10.138 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -13.688 -9.384 11.243 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -12.478 -8.213 9.470 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -14.233 -8.161 11.670 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -13.027 -6.989 9.896 1.00 0.00 C ATOM 1638 CZ TYR A 106 -13.908 -6.959 10.997 1.00 0.00 C ATOM 1639 OH TYR A 106 -14.438 -5.773 11.410 1.00 0.00 O ATOM 0 H TYR A 106 -10.972 -10.908 12.510 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.119 -12.155 11.260 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -11.604 -10.508 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -13.078 -11.325 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.941 -10.299 11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.801 -8.234 8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.904 -8.138 12.516 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.774 -6.074 9.381 1.00 0.00 H new ATOM 0 HH TYR A 106 -14.108 -5.050 10.837 1.00 0.00 H new ATOM 1649 N ALA A 107 -9.341 -12.545 9.690 1.00 0.00 N ATOM 1650 CA ALA A 107 -8.426 -13.530 9.116 1.00 0.00 C ATOM 1651 C ALA A 107 -8.487 -14.900 9.824 1.00 0.00 C ATOM 1652 O ALA A 107 -8.756 -14.990 11.026 1.00 0.00 O ATOM 1653 CB ALA A 107 -7.008 -12.943 9.181 1.00 0.00 C ATOM 0 H ALA A 107 -8.861 -11.695 9.986 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.723 -13.724 8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -6.299 -13.656 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.972 -12.015 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.745 -12.741 10.219 1.00 0.00 H new ATOM 1659 N ASP A 108 -8.195 -15.971 9.083 1.00 0.00 N ATOM 1660 CA ASP A 108 -8.248 -17.350 9.579 1.00 0.00 C ATOM 1661 C ASP A 108 -6.844 -17.872 9.937 1.00 0.00 C ATOM 1662 O ASP A 108 -5.975 -17.975 9.072 1.00 0.00 O ATOM 1663 CB ASP A 108 -8.925 -18.237 8.524 1.00 0.00 C ATOM 1664 CG ASP A 108 -9.007 -19.708 8.971 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -9.516 -19.976 10.085 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -8.576 -20.594 8.197 1.00 0.00 O ATOM 0 H ASP A 108 -7.910 -15.905 8.106 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.835 -17.378 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.929 -17.862 8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.371 -18.173 7.588 1.00 0.00 H new ATOM 1671 N GLY A 109 -6.623 -18.200 11.212 1.00 0.00 N ATOM 1672 CA GLY A 109 -5.386 -18.807 11.729 1.00 0.00 C ATOM 1673 C GLY A 109 -5.182 -18.589 13.235 1.00 0.00 C ATOM 1674 O GLY A 109 -5.868 -17.773 13.859 1.00 0.00 O ATOM 0 H GLY A 109 -7.321 -18.047 11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.402 -19.877 11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.534 -18.392 11.191 1.00 0.00 H new ATOM 1678 N SER A 110 -4.224 -19.316 13.824 1.00 0.00 N ATOM 1679 CA SER A 110 -3.838 -19.177 15.243 1.00 0.00 C ATOM 1680 C SER A 110 -2.987 -17.927 15.520 1.00 0.00 C ATOM 1681 O SER A 110 -3.122 -17.318 16.582 1.00 0.00 O ATOM 1682 CB SER A 110 -3.064 -20.424 15.690 1.00 0.00 C ATOM 1683 OG SER A 110 -1.931 -20.630 14.862 1.00 0.00 O ATOM 0 H SER A 110 -3.686 -20.026 13.327 1.00 0.00 H new ATOM 0 HA SER A 110 -4.762 -19.068 15.810 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.748 -20.310 16.727 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.715 -21.297 15.649 1.00 0.00 H new ATOM 0 HG SER A 110 -1.448 -21.428 15.162 1.00 0.00 H new ATOM 1689 N HIS A 111 -2.137 -17.531 14.558 1.00 0.00 N ATOM 1690 CA HIS A 111 -1.215 -16.377 14.604 1.00 0.00 C ATOM 1691 C HIS A 111 -0.384 -16.256 15.905 1.00 0.00 C ATOM 1692 O HIS A 111 -0.052 -15.156 16.348 1.00 0.00 O ATOM 1693 CB HIS A 111 -2.000 -15.103 14.239 1.00 0.00 C ATOM 1694 CG HIS A 111 -1.134 -13.930 13.838 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -0.283 -13.897 12.731 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -1.058 -12.732 14.486 1.00 0.00 C ATOM 1697 CE1 HIS A 111 0.313 -12.692 12.758 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -0.140 -11.972 13.797 1.00 0.00 N ATOM 0 H HIS A 111 -2.069 -18.036 13.674 1.00 0.00 H new ATOM 0 HA HIS A 111 -0.437 -16.539 13.858 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.682 -15.333 13.420 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.613 -14.812 15.092 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.610 -12.438 15.367 1.00 0.00 H new ATOM 0 HE1 HIS A 111 1.050 -12.352 12.046 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.147 -11.023 14.035 1.00 0.00 H new ATOM 1706 N HIS A 112 -0.056 -17.385 16.547 1.00 0.00 N ATOM 1707 CA HIS A 112 0.634 -17.439 17.848 1.00 0.00 C ATOM 1708 C HIS A 112 1.449 -18.732 18.028 1.00 0.00 C ATOM 1709 O HIS A 112 1.222 -19.717 17.320 1.00 0.00 O ATOM 1710 CB HIS A 112 -0.415 -17.294 18.963 1.00 0.00 C ATOM 1711 CG HIS A 112 0.175 -17.058 20.331 1.00 0.00 C ATOM 1712 ND1 HIS A 112 1.155 -16.104 20.633 1.00 0.00 N ATOM 1713 CD2 HIS A 112 -0.150 -17.736 21.468 1.00 0.00 C ATOM 1714 CE1 HIS A 112 1.377 -16.209 21.954 1.00 0.00 C ATOM 1715 NE2 HIS A 112 0.613 -17.188 22.475 1.00 0.00 N ATOM 0 H HIS A 112 -0.267 -18.309 16.170 1.00 0.00 H new ATOM 0 HA HIS A 112 1.351 -16.620 17.895 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -1.080 -16.466 18.717 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -1.026 -18.196 18.993 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -0.863 -18.542 21.561 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.067 -15.598 22.516 1.00 0.00 H new ATOM 0 HE2 HIS A 112 0.601 -17.476 23.453 1.00 0.00 H new ATOM 1723 N HIS A 113 2.374 -18.742 18.994 1.00 0.00 N ATOM 1724 CA HIS A 113 3.294 -19.862 19.265 1.00 0.00 C ATOM 1725 C HIS A 113 3.516 -20.146 20.761 1.00 0.00 C ATOM 1726 O HIS A 113 3.628 -21.306 21.153 1.00 0.00 O ATOM 1727 CB HIS A 113 4.628 -19.573 18.564 1.00 0.00 C ATOM 1728 CG HIS A 113 5.637 -20.695 18.677 1.00 0.00 C ATOM 1729 ND1 HIS A 113 5.550 -21.930 18.027 1.00 0.00 N ATOM 1730 CD2 HIS A 113 6.776 -20.673 19.430 1.00 0.00 C ATOM 1731 CE1 HIS A 113 6.637 -22.624 18.406 1.00 0.00 C ATOM 1732 NE2 HIS A 113 7.387 -21.897 19.252 1.00 0.00 N ATOM 0 H HIS A 113 2.510 -17.954 19.627 1.00 0.00 H new ATOM 0 HA HIS A 113 2.832 -20.767 18.872 1.00 0.00 H new ATOM 0 HB2 HIS A 113 4.437 -19.374 17.509 1.00 0.00 H new ATOM 0 HB3 HIS A 113 5.060 -18.666 18.986 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.129 -19.858 20.044 1.00 0.00 H new ATOM 0 HE1 HIS A 113 6.874 -23.625 18.077 1.00 0.00 H new ATOM 0 HE2 HIS A 113 8.259 -22.199 19.688 1.00 0.00 H new ATOM 1740 N HIS A 114 3.517 -19.118 21.619 1.00 0.00 N ATOM 1741 CA HIS A 114 3.647 -19.243 23.083 1.00 0.00 C ATOM 1742 C HIS A 114 2.305 -19.614 23.752 1.00 0.00 C ATOM 1743 O HIS A 114 1.755 -18.863 24.563 1.00 0.00 O ATOM 1744 CB HIS A 114 4.285 -17.961 23.648 1.00 0.00 C ATOM 1745 CG HIS A 114 4.687 -18.058 25.103 1.00 0.00 C ATOM 1746 ND1 HIS A 114 5.346 -19.138 25.695 1.00 0.00 N ATOM 1747 CD2 HIS A 114 4.544 -17.066 26.030 1.00 0.00 C ATOM 1748 CE1 HIS A 114 5.593 -18.768 26.963 1.00 0.00 C ATOM 1749 NE2 HIS A 114 5.117 -17.532 27.195 1.00 0.00 N ATOM 0 H HIS A 114 3.425 -18.150 21.310 1.00 0.00 H new ATOM 0 HA HIS A 114 4.312 -20.074 23.319 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.166 -17.715 23.055 1.00 0.00 H new ATOM 0 HB3 HIS A 114 3.582 -17.137 23.531 1.00 0.00 H new ATOM 0 HD2 HIS A 114 4.074 -16.105 25.881 1.00 0.00 H new ATOM 0 HE1 HIS A 114 6.103 -19.378 27.694 1.00 0.00 H new ATOM 0 HE2 HIS A 114 5.170 -17.027 28.079 1.00 0.00 H new ATOM 1757 N HIS A 115 1.714 -20.733 23.319 1.00 0.00 N ATOM 1758 CA HIS A 115 0.423 -21.252 23.799 1.00 0.00 C ATOM 1759 C HIS A 115 0.472 -21.763 25.250 1.00 0.00 C ATOM 1760 O HIS A 115 1.520 -22.198 25.738 1.00 0.00 O ATOM 1761 CB HIS A 115 -0.055 -22.374 22.858 1.00 0.00 C ATOM 1762 CG HIS A 115 -0.350 -21.888 21.457 1.00 0.00 C ATOM 1763 ND1 HIS A 115 -1.498 -21.197 21.062 1.00 0.00 N ATOM 1764 CD2 HIS A 115 0.477 -22.022 20.380 1.00 0.00 C ATOM 1765 CE1 HIS A 115 -1.341 -20.940 19.752 1.00 0.00 C ATOM 1766 NE2 HIS A 115 -0.161 -21.413 19.322 1.00 0.00 N ATOM 0 H HIS A 115 2.133 -21.324 22.601 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.281 -20.420 23.792 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.707 -23.152 22.813 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -0.953 -22.831 23.274 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.441 -22.509 20.361 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -2.062 -20.426 19.134 1.00 0.00 H new ATOM 0 HE2 HIS A 115 0.202 -21.335 18.372 1.00 0.00 H new ATOM 1774 N HIS A 116 -0.688 -21.752 25.923 1.00 0.00 N ATOM 1775 CA HIS A 116 -0.892 -22.172 27.325 1.00 0.00 C ATOM 1776 C HIS A 116 -2.203 -22.947 27.510 1.00 0.00 C ATOM 1777 O HIS A 116 -2.171 -24.016 28.162 1.00 0.00 O ATOM 1778 CB HIS A 116 -0.847 -20.936 28.247 1.00 0.00 C ATOM 1779 CG HIS A 116 0.497 -20.252 28.307 1.00 0.00 C ATOM 1780 ND1 HIS A 116 1.567 -20.621 29.131 1.00 0.00 N ATOM 1781 CD2 HIS A 116 0.876 -19.187 27.545 1.00 0.00 C ATOM 1782 CE1 HIS A 116 2.570 -19.779 28.825 1.00 0.00 C ATOM 1783 NE2 HIS A 116 2.185 -18.913 27.871 1.00 0.00 N ATOM 1784 OXT HIS A 116 -3.252 -22.490 27.001 1.00 0.00 O ATOM 0 H HIS A 116 -1.554 -21.435 25.487 1.00 0.00 H new ATOM 0 HA HIS A 116 -0.085 -22.853 27.596 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.592 -20.217 27.907 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.132 -21.239 29.254 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.583 -21.373 29.820 1.00 0.00 H new ATOM 0 HD2 HIS A 116 0.267 -18.660 26.825 1.00 0.00 H new ATOM 0 HE1 HIS A 116 3.548 -19.796 29.282 1.00 0.00 H new TER 1792 HIS A 116