USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 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 74 TYR OH : rot 150:sc= 0.607 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -138:sc= 0.414 (180deg=-0.657) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0292 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.66) USER MOD Single : A 5 ASN : amide:sc= -4.51! K(o=-4.5!,f=-0.55) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.41! K(o=-3.4!,f=-0.17) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 86:sc= 1.41 USER MOD Single : A 25 SER OG : rot -11:sc= 0.632 USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= -2.86! (180deg=-4.16!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0545) USER MOD Single : A 42 TYR OH : rot 142:sc= 0.623 USER MOD Single : A 45 MET CE :methyl -110:sc= 0 (180deg=-0.0165) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.162 (180deg=-0.992) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0011 (180deg=-0.173) USER MOD Single : A 51 TYR OH : rot 18:sc= 0.0177 USER MOD Single : A 52 ASN : amide:sc= -3.26 X(o=-3.3,f=-2.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 35:sc= -1.81 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.288 USER MOD Single : A 64 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.14) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.737 K(o=-0.74,f=-4!) USER MOD Single : A 75 ASN : amide:sc= -0.0659 K(o=-0.066,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0103) USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.297) USER MOD Single : A 107 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-5!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 109 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-0.99) USER MOD Single : A 110 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.7) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 112 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.534 -7.818 6.087 1.00 1.00 N ATOM 2 CA MET A 1 27.496 -6.756 6.215 1.00 1.00 C ATOM 3 C MET A 1 26.396 -7.244 7.148 1.00 1.00 C ATOM 4 O MET A 1 26.022 -8.415 7.116 1.00 1.00 O ATOM 5 CB MET A 1 26.913 -6.449 4.830 1.00 1.00 C ATOM 6 CG MET A 1 26.025 -5.202 4.899 1.00 1.00 C ATOM 7 SD MET A 1 27.058 -3.735 5.170 1.00 1.00 S ATOM 8 CE MET A 1 27.110 -3.146 3.461 1.00 1.00 C ATOM 0 H1 MET A 1 28.786 -7.938 5.085 1.00 1.00 H new ATOM 0 H2 MET A 1 29.380 -7.543 6.626 1.00 1.00 H new ATOM 0 H3 MET A 1 28.162 -8.714 6.460 1.00 1.00 H new ATOM 0 HA MET A 1 27.939 -5.848 6.625 1.00 1.00 H new ATOM 0 HB2 MET A 1 27.719 -6.292 4.114 1.00 1.00 H new ATOM 0 HB3 MET A 1 26.332 -7.300 4.474 1.00 1.00 H new ATOM 0 HG2 MET A 1 25.459 -5.095 3.974 1.00 1.00 H new ATOM 0 HG3 MET A 1 25.300 -5.303 5.707 1.00 1.00 H new ATOM 0 HE1 MET A 1 27.707 -2.236 3.408 1.00 1.00 H new ATOM 0 HE2 MET A 1 27.557 -3.911 2.826 1.00 1.00 H new ATOM 0 HE3 MET A 1 26.097 -2.936 3.117 1.00 1.00 H new ATOM 20 N VAL A 2 25.883 -6.339 7.978 1.00 1.00 N ATOM 21 CA VAL A 2 24.822 -6.686 8.915 1.00 1.00 C ATOM 22 C VAL A 2 23.542 -7.040 8.169 1.00 1.00 C ATOM 23 O VAL A 2 22.812 -7.948 8.569 1.00 1.00 O ATOM 24 CB VAL A 2 24.552 -5.518 9.870 1.00 1.00 C ATOM 25 CG1 VAL A 2 25.802 -5.237 10.709 1.00 1.00 C ATOM 26 CG2 VAL A 2 24.188 -4.268 9.063 1.00 1.00 C ATOM 0 H VAL A 2 26.184 -5.365 8.020 1.00 1.00 H new ATOM 0 HA VAL A 2 25.148 -7.553 9.490 1.00 1.00 H new ATOM 0 HB VAL A 2 23.725 -5.778 10.530 1.00 1.00 H new ATOM 0 HG11 VAL A 2 25.606 -4.406 11.387 1.00 1.00 H new ATOM 0 HG12 VAL A 2 26.059 -6.124 11.288 1.00 1.00 H new ATOM 0 HG13 VAL A 2 26.632 -4.980 10.051 1.00 1.00 H new ATOM 0 HG21 VAL A 2 23.996 -3.439 9.744 1.00 1.00 H new ATOM 0 HG22 VAL A 2 25.014 -4.010 8.400 1.00 1.00 H new ATOM 0 HG23 VAL A 2 23.295 -4.465 8.470 1.00 1.00 H new ATOM 36 N ASP A 3 23.270 -6.321 7.085 1.00 1.00 N ATOM 37 CA ASP A 3 22.070 -6.564 6.292 1.00 1.00 C ATOM 38 C ASP A 3 22.109 -7.956 5.664 1.00 1.00 C ATOM 39 O ASP A 3 23.158 -8.427 5.224 1.00 1.00 O ATOM 40 CB ASP A 3 21.949 -5.504 5.189 1.00 1.00 C ATOM 41 CG ASP A 3 21.617 -4.143 5.797 1.00 1.00 C ATOM 42 OD1 ASP A 3 21.230 -4.110 6.954 1.00 1.00 O ATOM 43 OD2 ASP A 3 21.757 -3.153 5.097 1.00 1.00 O ATOM 0 H ASP A 3 23.862 -5.567 6.736 1.00 1.00 H new ATOM 0 HA ASP A 3 21.204 -6.503 6.952 1.00 1.00 H new ATOM 0 HB2 ASP A 3 22.883 -5.442 4.630 1.00 1.00 H new ATOM 0 HB3 ASP A 3 21.172 -5.793 4.481 1.00 1.00 H new ATOM 48 N GLN A 4 20.952 -8.609 5.631 1.00 1.00 N ATOM 49 CA GLN A 4 20.834 -9.956 5.059 1.00 1.00 C ATOM 50 C GLN A 4 19.754 -9.976 3.988 1.00 1.00 C ATOM 51 O GLN A 4 19.338 -11.038 3.526 1.00 1.00 O ATOM 52 CB GLN A 4 20.496 -10.963 6.156 1.00 1.00 C ATOM 53 CG GLN A 4 19.233 -10.515 6.895 1.00 1.00 C ATOM 54 CD GLN A 4 18.929 -11.479 8.038 1.00 1.00 C ATOM 55 OE1 GLN A 4 19.165 -12.681 7.919 1.00 1.00 O ATOM 56 NE2 GLN A 4 18.420 -11.018 9.147 1.00 1.00 N ATOM 0 H GLN A 4 20.077 -8.230 5.994 1.00 1.00 H new ATOM 0 HA GLN A 4 21.787 -10.230 4.607 1.00 1.00 H new ATOM 0 HB2 GLN A 4 20.344 -11.951 5.722 1.00 1.00 H new ATOM 0 HB3 GLN A 4 21.328 -11.047 6.855 1.00 1.00 H new ATOM 0 HG2 GLN A 4 19.368 -9.506 7.285 1.00 1.00 H new ATOM 0 HG3 GLN A 4 18.391 -10.479 6.204 1.00 1.00 H new ATOM 0 HE21 GLN A 4 18.225 -10.021 9.243 1.00 1.00 H new ATOM 0 HE22 GLN A 4 18.217 -11.654 9.918 1.00 1.00 H new ATOM 65 N ASN A 5 19.302 -8.790 3.598 1.00 1.00 N ATOM 66 CA ASN A 5 18.274 -8.654 2.574 1.00 1.00 C ATOM 67 C ASN A 5 16.987 -9.414 2.952 1.00 1.00 C ATOM 68 O ASN A 5 16.925 -10.625 2.750 1.00 1.00 O ATOM 69 CB ASN A 5 18.795 -9.201 1.244 1.00 1.00 C ATOM 70 CG ASN A 5 17.809 -8.881 0.125 1.00 1.00 C ATOM 71 OD1 ASN A 5 17.973 -9.355 -1.003 1.00 1.00 O ATOM 72 ND2 ASN A 5 16.791 -8.103 0.367 1.00 1.00 N ATOM 0 H ASN A 5 19.634 -7.904 3.978 1.00 1.00 H new ATOM 0 HA ASN A 5 18.037 -7.594 2.486 1.00 1.00 H new ATOM 0 HB2 ASN A 5 19.768 -8.765 1.018 1.00 1.00 H new ATOM 0 HB3 ASN A 5 18.938 -10.279 1.316 1.00 1.00 H new ATOM 0 HD21 ASN A 5 16.128 -7.885 -0.377 1.00 1.00 H new ATOM 0 HD22 ASN A 5 16.658 -7.713 1.300 1.00 1.00 H new ATOM 79 N PRO A 6 15.989 -8.751 3.470 1.00 1.00 N ATOM 80 CA PRO A 6 14.711 -9.428 3.852 1.00 1.00 C ATOM 81 C PRO A 6 13.822 -9.710 2.641 1.00 1.00 C ATOM 82 O PRO A 6 12.596 -9.723 2.739 1.00 1.00 O ATOM 83 CB PRO A 6 14.047 -8.433 4.828 1.00 1.00 C ATOM 84 CG PRO A 6 14.564 -7.076 4.425 1.00 1.00 C ATOM 85 CD PRO A 6 15.942 -7.304 3.759 1.00 1.00 C ATOM 0 HA PRO A 6 14.880 -10.408 4.298 1.00 1.00 H new ATOM 0 HB2 PRO A 6 12.960 -8.477 4.756 1.00 1.00 H new ATOM 0 HB3 PRO A 6 14.308 -8.662 5.861 1.00 1.00 H new ATOM 0 HG2 PRO A 6 13.876 -6.590 3.734 1.00 1.00 H new ATOM 0 HG3 PRO A 6 14.657 -6.424 5.293 1.00 1.00 H new ATOM 0 HD2 PRO A 6 16.042 -6.715 2.847 1.00 1.00 H new ATOM 0 HD3 PRO A 6 16.755 -7.007 4.421 1.00 1.00 H new ATOM 93 N GLU A 7 14.421 -9.946 1.478 1.00 1.00 N ATOM 94 CA GLU A 7 13.670 -10.224 0.267 1.00 1.00 C ATOM 95 C GLU A 7 12.914 -11.536 0.403 1.00 1.00 C ATOM 96 O GLU A 7 11.997 -11.800 -0.375 1.00 1.00 O ATOM 97 CB GLU A 7 14.639 -10.282 -0.954 1.00 1.00 C ATOM 98 CG GLU A 7 14.522 -8.993 -1.780 1.00 1.00 C ATOM 99 CD GLU A 7 13.186 -8.967 -2.521 1.00 1.00 C ATOM 100 OE1 GLU A 7 12.507 -9.981 -2.521 1.00 1.00 O ATOM 101 OE2 GLU A 7 12.869 -7.935 -3.089 1.00 1.00 O ATOM 0 H GLU A 7 15.433 -9.949 1.353 1.00 1.00 H new ATOM 0 HA GLU A 7 12.946 -9.424 0.108 1.00 1.00 H new ATOM 0 HB2 GLU A 7 15.665 -10.410 -0.609 1.00 1.00 H new ATOM 0 HB3 GLU A 7 14.402 -11.145 -1.576 1.00 1.00 H new ATOM 0 HG2 GLU A 7 14.602 -8.124 -1.127 1.00 1.00 H new ATOM 0 HG3 GLU A 7 15.344 -8.932 -2.493 1.00 1.00 H new ATOM 108 N GLU A 8 13.295 -12.346 1.384 1.00 1.00 N ATOM 109 CA GLU A 8 12.644 -13.626 1.609 1.00 1.00 C ATOM 110 C GLU A 8 11.260 -13.418 2.207 1.00 1.00 C ATOM 111 O GLU A 8 10.337 -14.193 1.952 1.00 1.00 O ATOM 112 CB GLU A 8 13.491 -14.489 2.547 1.00 1.00 C ATOM 113 CG GLU A 8 12.931 -15.921 2.588 1.00 1.00 C ATOM 114 CD GLU A 8 13.205 -16.629 1.263 1.00 1.00 C ATOM 115 OE1 GLU A 8 13.935 -16.077 0.455 1.00 1.00 O ATOM 116 OE2 GLU A 8 12.683 -17.717 1.079 1.00 1.00 O ATOM 0 H GLU A 8 14.052 -12.137 2.035 1.00 1.00 H new ATOM 0 HA GLU A 8 12.541 -14.136 0.651 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.526 -14.504 2.206 1.00 1.00 H new ATOM 0 HB3 GLU A 8 13.491 -14.060 3.549 1.00 1.00 H new ATOM 0 HG2 GLU A 8 13.389 -16.476 3.407 1.00 1.00 H new ATOM 0 HG3 GLU A 8 11.858 -15.895 2.781 1.00 1.00 H new ATOM 123 N TYR A 9 11.107 -12.372 3.013 1.00 1.00 N ATOM 124 CA TYR A 9 9.839 -12.070 3.649 1.00 1.00 C ATOM 125 C TYR A 9 8.748 -11.885 2.601 1.00 1.00 C ATOM 126 O TYR A 9 7.564 -12.069 2.882 1.00 1.00 O ATOM 127 CB TYR A 9 9.974 -10.797 4.498 1.00 1.00 C ATOM 128 CG TYR A 9 10.816 -11.083 5.734 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.205 -11.232 5.614 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.212 -11.201 6.994 1.00 1.00 C ATOM 131 CE1 TYR A 9 12.985 -11.499 6.748 1.00 1.00 C ATOM 132 CE2 TYR A 9 10.992 -11.467 8.127 1.00 1.00 C ATOM 133 CZ TYR A 9 12.378 -11.615 8.002 1.00 1.00 C ATOM 134 OH TYR A 9 13.146 -11.874 9.121 1.00 1.00 O ATOM 0 H TYR A 9 11.855 -11.717 3.240 1.00 1.00 H new ATOM 0 HA TYR A 9 9.562 -12.904 4.294 1.00 1.00 H new ATOM 0 HB2 TYR A 9 10.435 -10.004 3.909 1.00 1.00 H new ATOM 0 HB3 TYR A 9 8.987 -10.441 4.794 1.00 1.00 H new ATOM 0 HD1 TYR A 9 12.675 -11.141 4.646 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.143 -11.087 7.091 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.055 -11.615 6.653 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.524 -11.558 9.096 1.00 1.00 H new ATOM 0 HH TYR A 9 12.568 -11.923 9.911 1.00 1.00 H new ATOM 144 N TYR A 10 9.126 -11.521 1.380 1.00 1.00 N ATOM 145 CA TYR A 10 8.175 -11.309 0.294 1.00 1.00 C ATOM 146 C TYR A 10 7.218 -12.494 0.184 1.00 1.00 C ATOM 147 O TYR A 10 6.157 -12.411 -0.437 1.00 1.00 O ATOM 148 CB TYR A 10 8.942 -11.116 -1.039 1.00 1.00 C ATOM 149 CG TYR A 10 9.051 -12.444 -1.778 1.00 1.00 C ATOM 150 CD1 TYR A 10 9.773 -13.500 -1.211 1.00 1.00 C ATOM 151 CD2 TYR A 10 8.413 -12.627 -3.013 1.00 1.00 C ATOM 152 CE1 TYR A 10 9.860 -14.732 -1.866 1.00 1.00 C ATOM 153 CE2 TYR A 10 8.502 -13.858 -3.673 1.00 1.00 C ATOM 154 CZ TYR A 10 9.227 -14.908 -3.101 1.00 1.00 C ATOM 155 OH TYR A 10 9.311 -16.123 -3.754 1.00 1.00 O ATOM 0 H TYR A 10 10.099 -11.365 1.115 1.00 1.00 H new ATOM 0 HA TYR A 10 7.591 -10.413 0.505 1.00 1.00 H new ATOM 0 HB2 TYR A 10 8.426 -10.386 -1.662 1.00 1.00 H new ATOM 0 HB3 TYR A 10 9.937 -10.719 -0.840 1.00 1.00 H new ATOM 0 HD1 TYR A 10 10.267 -13.362 -0.260 1.00 1.00 H new ATOM 0 HD2 TYR A 10 7.852 -11.817 -3.456 1.00 1.00 H new ATOM 0 HE1 TYR A 10 10.414 -15.545 -1.420 1.00 1.00 H new ATOM 0 HE2 TYR A 10 8.010 -13.997 -4.625 1.00 1.00 H new ATOM 0 HH TYR A 10 8.815 -16.076 -4.598 1.00 1.00 H new ATOM 165 N LEU A 11 7.579 -13.617 0.794 1.00 1.00 N ATOM 166 CA LEU A 11 6.750 -14.825 0.751 1.00 1.00 C ATOM 167 C LEU A 11 5.273 -14.475 0.923 1.00 1.00 C ATOM 168 O LEU A 11 4.397 -15.239 0.516 1.00 1.00 O ATOM 169 CB LEU A 11 7.196 -15.793 1.863 1.00 1.00 C ATOM 170 CG LEU A 11 6.730 -15.291 3.275 1.00 1.00 C ATOM 171 CD1 LEU A 11 5.427 -16.005 3.706 1.00 1.00 C ATOM 172 CD2 LEU A 11 7.817 -15.583 4.322 1.00 1.00 C ATOM 0 H LEU A 11 8.442 -13.720 1.327 1.00 1.00 H new ATOM 0 HA LEU A 11 6.876 -15.303 -0.221 1.00 1.00 H new ATOM 0 HB2 LEU A 11 6.784 -16.784 1.673 1.00 1.00 H new ATOM 0 HB3 LEU A 11 8.281 -15.891 1.849 1.00 1.00 H new ATOM 0 HG LEU A 11 6.551 -14.218 3.209 1.00 1.00 H new ATOM 0 HD11 LEU A 11 5.121 -15.643 4.687 1.00 1.00 H new ATOM 0 HD12 LEU A 11 4.641 -15.796 2.981 1.00 1.00 H new ATOM 0 HD13 LEU A 11 5.600 -17.080 3.754 1.00 1.00 H new ATOM 0 HD21 LEU A 11 7.485 -15.231 5.299 1.00 1.00 H new ATOM 0 HD22 LEU A 11 8.001 -16.656 4.366 1.00 1.00 H new ATOM 0 HD23 LEU A 11 8.737 -15.069 4.045 1.00 1.00 H new ATOM 184 N GLU A 12 5.046 -13.310 1.519 1.00 1.00 N ATOM 185 CA GLU A 12 3.688 -12.861 1.743 1.00 1.00 C ATOM 186 C GLU A 12 2.933 -12.757 0.424 1.00 1.00 C ATOM 187 O GLU A 12 1.818 -13.266 0.315 1.00 1.00 O ATOM 188 CB GLU A 12 3.712 -11.503 2.452 1.00 1.00 C ATOM 189 CG GLU A 12 4.417 -10.444 1.585 1.00 1.00 C ATOM 190 CD GLU A 12 4.795 -9.224 2.430 1.00 1.00 C ATOM 191 OE1 GLU A 12 5.333 -9.422 3.508 1.00 1.00 O ATOM 192 OE2 GLU A 12 4.545 -8.117 1.986 1.00 1.00 O ATOM 0 H GLU A 12 5.772 -12.674 1.848 1.00 1.00 H new ATOM 0 HA GLU A 12 3.172 -13.587 2.371 1.00 1.00 H new ATOM 0 HB2 GLU A 12 2.693 -11.183 2.668 1.00 1.00 H new ATOM 0 HB3 GLU A 12 4.226 -11.597 3.409 1.00 1.00 H new ATOM 0 HG2 GLU A 12 5.312 -10.872 1.133 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.762 -10.139 0.768 1.00 1.00 H new ATOM 199 N GLY A 13 3.564 -12.100 -0.543 1.00 1.00 N ATOM 200 CA GLY A 13 2.957 -11.930 -1.865 1.00 1.00 C ATOM 201 C GLY A 13 2.201 -13.188 -2.283 1.00 1.00 C ATOM 202 O GLY A 13 1.111 -13.115 -2.851 1.00 1.00 O ATOM 0 H GLY A 13 4.487 -11.679 -0.442 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.275 -11.079 -1.850 1.00 1.00 H new ATOM 0 HA3 GLY A 13 3.731 -11.705 -2.599 1.00 1.00 H new ATOM 206 N VAL A 14 2.780 -14.349 -1.996 1.00 1.00 N ATOM 207 CA VAL A 14 2.132 -15.604 -2.347 1.00 1.00 C ATOM 208 C VAL A 14 0.859 -15.803 -1.541 1.00 1.00 C ATOM 209 O VAL A 14 -0.222 -15.939 -2.115 1.00 1.00 O ATOM 210 CB VAL A 14 3.085 -16.770 -2.048 1.00 1.00 C ATOM 211 CG1 VAL A 14 2.427 -18.106 -2.424 1.00 1.00 C ATOM 212 CG2 VAL A 14 4.379 -16.591 -2.845 1.00 1.00 C ATOM 0 H VAL A 14 3.682 -14.446 -1.529 1.00 1.00 H new ATOM 0 HA VAL A 14 1.881 -15.573 -3.407 1.00 1.00 H new ATOM 0 HB VAL A 14 3.311 -16.777 -0.982 1.00 1.00 H new ATOM 0 HG11 VAL A 14 3.114 -18.924 -2.207 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.513 -18.237 -1.845 1.00 1.00 H new ATOM 0 HG13 VAL A 14 2.187 -18.107 -3.487 1.00 1.00 H new ATOM 0 HG21 VAL A 14 5.055 -17.419 -2.632 1.00 1.00 H new ATOM 0 HG22 VAL A 14 4.151 -16.574 -3.911 1.00 1.00 H new ATOM 0 HG23 VAL A 14 4.855 -15.652 -2.561 1.00 1.00 H new ATOM 222 N LEU A 15 0.968 -15.814 -0.216 1.00 1.00 N ATOM 223 CA LEU A 15 -0.192 -16.008 0.650 1.00 1.00 C ATOM 224 C LEU A 15 -1.375 -15.176 0.147 1.00 1.00 C ATOM 225 O LEU A 15 -2.389 -15.735 -0.269 1.00 1.00 O ATOM 226 CB LEU A 15 0.142 -15.573 2.087 1.00 1.00 C ATOM 227 CG LEU A 15 1.489 -16.155 2.532 1.00 1.00 C ATOM 228 CD1 LEU A 15 1.726 -15.794 4.003 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.491 -17.683 2.359 1.00 1.00 C ATOM 0 H LEU A 15 1.849 -15.691 0.283 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.455 -17.066 0.636 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.174 -14.485 2.144 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -0.645 -15.905 2.765 1.00 1.00 H new ATOM 0 HG LEU A 15 2.286 -15.737 1.918 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.682 -16.204 4.329 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.739 -14.710 4.114 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.925 -16.211 4.614 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.453 -18.084 2.678 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.697 -18.119 2.965 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.325 -17.931 1.311 1.00 1.00 H new ATOM 241 N GLN A 16 -1.244 -13.853 0.171 1.00 1.00 N ATOM 242 CA GLN A 16 -2.314 -12.979 -0.300 1.00 1.00 C ATOM 243 C GLN A 16 -2.798 -13.432 -1.675 1.00 1.00 C ATOM 244 O GLN A 16 -3.987 -13.689 -1.863 1.00 1.00 O ATOM 245 CB GLN A 16 -1.796 -11.533 -0.393 1.00 1.00 C ATOM 246 CG GLN A 16 -2.965 -10.560 -0.602 1.00 1.00 C ATOM 247 CD GLN A 16 -3.791 -10.449 0.676 1.00 1.00 C ATOM 248 OE1 GLN A 16 -5.010 -10.624 0.646 1.00 1.00 O ATOM 249 NE2 GLN A 16 -3.199 -10.165 1.804 1.00 1.00 N ATOM 0 H GLN A 16 -0.414 -13.365 0.509 1.00 1.00 H new ATOM 0 HA GLN A 16 -3.144 -13.028 0.404 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.257 -11.274 0.518 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -1.089 -11.445 -1.218 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -2.585 -9.578 -0.885 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -3.594 -10.906 -1.422 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -2.190 -10.020 1.828 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -3.746 -10.088 2.662 1.00 1.00 H new ATOM 258 N TYR A 17 -1.898 -13.550 -2.645 1.00 1.00 N ATOM 259 CA TYR A 17 -2.276 -13.984 -3.984 1.00 1.00 C ATOM 260 C TYR A 17 -3.149 -15.242 -3.921 1.00 1.00 C ATOM 261 O TYR A 17 -4.301 -15.221 -4.356 1.00 1.00 O ATOM 262 CB TYR A 17 -1.015 -14.287 -4.795 1.00 1.00 C ATOM 263 CG TYR A 17 -1.390 -14.596 -6.228 1.00 1.00 C ATOM 264 CD1 TYR A 17 -1.687 -15.910 -6.608 1.00 1.00 C ATOM 265 CD2 TYR A 17 -1.438 -13.567 -7.177 1.00 1.00 C ATOM 266 CE1 TYR A 17 -2.030 -16.197 -7.933 1.00 1.00 C ATOM 267 CE2 TYR A 17 -1.782 -13.853 -8.504 1.00 1.00 C ATOM 268 CZ TYR A 17 -2.078 -15.169 -8.881 1.00 1.00 C ATOM 269 OH TYR A 17 -2.416 -15.453 -10.188 1.00 1.00 O ATOM 0 H TYR A 17 -0.904 -13.352 -2.529 1.00 1.00 H new ATOM 0 HA TYR A 17 -2.845 -13.185 -4.460 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.337 -13.434 -4.763 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -0.485 -15.133 -4.358 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -1.651 -16.704 -5.877 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -1.210 -12.553 -6.885 1.00 1.00 H new ATOM 0 HE1 TYR A 17 -2.258 -17.212 -8.224 1.00 1.00 H new ATOM 0 HE2 TYR A 17 -1.819 -13.060 -9.236 1.00 1.00 H new ATOM 0 HH TYR A 17 -2.403 -14.627 -10.716 1.00 1.00 H new ATOM 279 N ASP A 18 -2.592 -16.321 -3.380 1.00 1.00 N ATOM 280 CA ASP A 18 -3.337 -17.574 -3.268 1.00 1.00 C ATOM 281 C ASP A 18 -4.497 -17.418 -2.293 1.00 1.00 C ATOM 282 O ASP A 18 -5.663 -17.459 -2.684 1.00 1.00 O ATOM 283 CB ASP A 18 -2.415 -18.696 -2.784 1.00 1.00 C ATOM 284 CG ASP A 18 -1.327 -18.962 -3.818 1.00 1.00 C ATOM 285 OD1 ASP A 18 -1.637 -18.937 -4.996 1.00 1.00 O ATOM 286 OD2 ASP A 18 -0.199 -19.187 -3.413 1.00 1.00 O ATOM 0 H ASP A 18 -1.640 -16.356 -3.016 1.00 1.00 H new ATOM 0 HA ASP A 18 -3.729 -17.828 -4.253 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -1.963 -18.420 -1.831 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -2.993 -19.604 -2.611 1.00 1.00 H new ATOM 291 N ALA A 19 -4.166 -17.236 -1.018 1.00 1.00 N ATOM 292 CA ALA A 19 -5.182 -17.070 0.035 1.00 1.00 C ATOM 293 C ALA A 19 -5.300 -15.601 0.435 1.00 1.00 C ATOM 294 O ALA A 19 -5.470 -14.725 -0.414 1.00 1.00 O ATOM 295 CB ALA A 19 -4.824 -17.923 1.259 1.00 1.00 C ATOM 0 H ALA A 19 -3.204 -17.199 -0.682 1.00 1.00 H new ATOM 0 HA ALA A 19 -6.143 -17.403 -0.357 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -5.584 -17.791 2.030 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -4.779 -18.973 0.970 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -3.854 -17.612 1.648 1.00 1.00 H new ATOM 301 N GLY A 20 -5.213 -15.315 1.730 1.00 1.00 N ATOM 302 CA GLY A 20 -5.313 -13.940 2.243 1.00 1.00 C ATOM 303 C GLY A 20 -4.134 -13.607 3.150 1.00 1.00 C ATOM 304 O GLY A 20 -3.086 -13.157 2.686 1.00 1.00 O ATOM 0 H GLY A 20 -5.072 -16.019 2.454 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.344 -13.239 1.409 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.246 -13.821 2.795 1.00 1.00 H new ATOM 308 N ASN A 21 -4.307 -13.823 4.450 1.00 1.00 N ATOM 309 CA ASN A 21 -3.246 -13.538 5.409 1.00 1.00 C ATOM 310 C ASN A 21 -2.818 -12.078 5.308 1.00 1.00 C ATOM 311 O ASN A 21 -1.635 -11.765 5.435 1.00 1.00 O ATOM 312 CB ASN A 21 -2.043 -14.463 5.150 1.00 1.00 C ATOM 313 CG ASN A 21 -2.384 -15.894 5.540 1.00 1.00 C ATOM 314 OD1 ASN A 21 -2.476 -16.211 6.725 1.00 1.00 O ATOM 315 ND2 ASN A 21 -2.576 -16.781 4.605 1.00 1.00 N ATOM 0 H ASN A 21 -5.165 -14.191 4.861 1.00 1.00 H new ATOM 0 HA ASN A 21 -3.623 -13.720 6.415 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -1.764 -14.422 4.097 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -1.181 -14.119 5.721 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -2.804 -17.744 4.854 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -2.499 -16.513 3.624 1.00 1.00 H new ATOM 322 N TYR A 22 -3.791 -11.202 5.077 1.00 1.00 N ATOM 323 CA TYR A 22 -3.490 -9.783 4.961 1.00 1.00 C ATOM 324 C TYR A 22 -2.961 -9.241 6.286 1.00 1.00 C ATOM 325 O TYR A 22 -1.886 -8.645 6.328 1.00 1.00 O ATOM 326 CB TYR A 22 -4.761 -9.016 4.552 1.00 1.00 C ATOM 327 CG TYR A 22 -5.933 -9.520 5.365 1.00 1.00 C ATOM 328 CD1 TYR A 22 -6.652 -10.642 4.930 1.00 1.00 C ATOM 329 CD2 TYR A 22 -6.306 -8.866 6.545 1.00 1.00 C ATOM 330 CE1 TYR A 22 -7.743 -11.108 5.674 1.00 1.00 C ATOM 331 CE2 TYR A 22 -7.398 -9.331 7.286 1.00 1.00 C ATOM 332 CZ TYR A 22 -8.116 -10.451 6.852 1.00 1.00 C ATOM 333 OH TYR A 22 -9.193 -10.905 7.585 1.00 1.00 O ATOM 0 H TYR A 22 -4.776 -11.445 4.968 1.00 1.00 H new ATOM 0 HA TYR A 22 -2.723 -9.647 4.198 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -4.623 -7.947 4.716 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.956 -9.153 3.488 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -6.364 -11.148 4.020 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -5.751 -8.003 6.883 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -8.296 -11.973 5.339 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -7.687 -8.824 8.195 1.00 1.00 H new ATOM 0 HH TYR A 22 -9.315 -10.336 8.374 1.00 1.00 H new ATOM 343 N THR A 23 -3.725 -9.457 7.352 1.00 1.00 N ATOM 344 CA THR A 23 -3.319 -8.992 8.670 1.00 1.00 C ATOM 345 C THR A 23 -2.050 -9.709 9.115 1.00 1.00 C ATOM 346 O THR A 23 -1.135 -9.092 9.662 1.00 1.00 O ATOM 347 CB THR A 23 -4.438 -9.233 9.687 1.00 1.00 C ATOM 348 OG1 THR A 23 -5.588 -8.497 9.299 1.00 1.00 O ATOM 349 CG2 THR A 23 -3.989 -8.775 11.080 1.00 1.00 C ATOM 0 H THR A 23 -4.620 -9.946 7.329 1.00 1.00 H new ATOM 0 HA THR A 23 -3.119 -7.922 8.613 1.00 1.00 H new ATOM 0 HB THR A 23 -4.671 -10.297 9.719 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.110 -9.021 8.657 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.791 -8.950 11.797 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.105 -9.337 11.380 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.751 -7.712 11.054 1.00 1.00 H new ATOM 357 N GLU A 24 -1.986 -11.015 8.888 1.00 1.00 N ATOM 358 CA GLU A 24 -0.815 -11.789 9.292 1.00 1.00 C ATOM 359 C GLU A 24 0.433 -11.318 8.547 1.00 1.00 C ATOM 360 O GLU A 24 1.494 -11.150 9.148 1.00 1.00 O ATOM 361 CB GLU A 24 -1.043 -13.279 9.005 1.00 1.00 C ATOM 362 CG GLU A 24 -2.215 -13.804 9.839 1.00 1.00 C ATOM 363 CD GLU A 24 -1.844 -13.815 11.318 1.00 1.00 C ATOM 364 OE1 GLU A 24 -0.660 -13.796 11.610 1.00 1.00 O ATOM 365 OE2 GLU A 24 -2.749 -13.849 12.135 1.00 1.00 O ATOM 0 H GLU A 24 -2.720 -11.557 8.432 1.00 1.00 H new ATOM 0 HA GLU A 24 -0.665 -11.640 10.361 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -1.247 -13.426 7.944 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -0.140 -13.844 9.237 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -3.093 -13.177 9.681 1.00 1.00 H new ATOM 0 HG3 GLU A 24 -2.479 -14.811 9.515 1.00 1.00 H new ATOM 372 N SER A 25 0.296 -11.111 7.242 1.00 1.00 N ATOM 373 CA SER A 25 1.428 -10.670 6.430 1.00 1.00 C ATOM 374 C SER A 25 2.065 -9.420 7.024 1.00 1.00 C ATOM 375 O SER A 25 3.258 -9.167 6.853 1.00 1.00 O ATOM 376 CB SER A 25 0.969 -10.373 4.999 1.00 1.00 C ATOM 377 OG SER A 25 -0.050 -9.387 5.023 1.00 1.00 O ATOM 0 H SER A 25 -0.575 -11.239 6.727 1.00 1.00 H new ATOM 0 HA SER A 25 2.166 -11.472 6.417 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.811 -10.026 4.400 1.00 1.00 H new ATOM 0 HB3 SER A 25 0.598 -11.283 4.529 1.00 1.00 H new ATOM 0 HG SER A 25 -0.356 -9.255 5.945 1.00 1.00 H new ATOM 383 N ILE A 26 1.270 -8.623 7.729 1.00 1.00 N ATOM 384 CA ILE A 26 1.775 -7.396 8.336 1.00 1.00 C ATOM 385 C ILE A 26 3.015 -7.687 9.177 1.00 1.00 C ATOM 386 O ILE A 26 3.942 -6.881 9.252 1.00 1.00 O ATOM 387 CB ILE A 26 0.682 -6.732 9.221 1.00 1.00 C ATOM 388 CG1 ILE A 26 0.916 -5.208 9.286 1.00 1.00 C ATOM 389 CG2 ILE A 26 0.700 -7.312 10.665 1.00 1.00 C ATOM 390 CD1 ILE A 26 -0.223 -4.524 10.038 1.00 1.00 C ATOM 0 H ILE A 26 0.280 -8.802 7.894 1.00 1.00 H new ATOM 0 HA ILE A 26 2.044 -6.708 7.535 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.288 -6.943 8.772 1.00 1.00 H new ATOM 0 HG12 ILE A 26 1.864 -5.000 9.783 1.00 1.00 H new ATOM 0 HG13 ILE A 26 0.989 -4.802 8.277 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.075 -6.829 11.261 1.00 1.00 H new ATOM 0 HG22 ILE A 26 0.513 -8.385 10.628 1.00 1.00 H new ATOM 0 HG23 ILE A 26 1.674 -7.128 11.119 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.042 -3.450 10.074 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -1.165 -4.716 9.524 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -0.277 -4.917 11.053 1.00 1.00 H new ATOM 402 N ASP A 27 3.022 -8.852 9.815 1.00 1.00 N ATOM 403 CA ASP A 27 4.145 -9.221 10.655 1.00 1.00 C ATOM 404 C ASP A 27 5.401 -9.407 9.815 1.00 1.00 C ATOM 405 O ASP A 27 6.456 -8.859 10.132 1.00 1.00 O ATOM 406 CB ASP A 27 3.813 -10.514 11.408 1.00 1.00 C ATOM 407 CG ASP A 27 4.849 -10.777 12.496 1.00 1.00 C ATOM 408 OD1 ASP A 27 5.157 -9.851 13.230 1.00 1.00 O ATOM 409 OD2 ASP A 27 5.317 -11.900 12.581 1.00 1.00 O ATOM 0 H ASP A 27 2.274 -9.544 9.766 1.00 1.00 H new ATOM 0 HA ASP A 27 4.331 -8.422 11.373 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.821 -10.439 11.853 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.787 -11.352 10.711 1.00 1.00 H new ATOM 414 N LEU A 28 5.256 -10.186 8.748 1.00 1.00 N ATOM 415 CA LEU A 28 6.396 -10.441 7.879 1.00 1.00 C ATOM 416 C LEU A 28 6.924 -9.132 7.283 1.00 1.00 C ATOM 417 O LEU A 28 8.126 -8.867 7.327 1.00 1.00 O ATOM 418 CB LEU A 28 5.981 -11.412 6.751 1.00 1.00 C ATOM 419 CG LEU A 28 5.943 -12.876 7.247 1.00 1.00 C ATOM 420 CD1 LEU A 28 7.365 -13.428 7.476 1.00 1.00 C ATOM 421 CD2 LEU A 28 5.139 -12.976 8.550 1.00 1.00 C ATOM 0 H LEU A 28 4.386 -10.640 8.470 1.00 1.00 H new ATOM 0 HA LEU A 28 7.194 -10.894 8.468 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.999 -11.130 6.370 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.681 -11.327 5.920 1.00 1.00 H new ATOM 0 HG LEU A 28 5.461 -13.474 6.474 1.00 1.00 H new ATOM 0 HD11 LEU A 28 7.303 -14.459 7.824 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.924 -13.394 6.541 1.00 1.00 H new ATOM 0 HD13 LEU A 28 7.874 -12.822 8.225 1.00 1.00 H new ATOM 0 HD21 LEU A 28 5.121 -14.012 8.888 1.00 1.00 H new ATOM 0 HD22 LEU A 28 5.605 -12.354 9.314 1.00 1.00 H new ATOM 0 HD23 LEU A 28 4.119 -12.633 8.375 1.00 1.00 H new ATOM 433 N PHE A 29 6.019 -8.328 6.734 1.00 1.00 N ATOM 434 CA PHE A 29 6.422 -7.053 6.151 1.00 1.00 C ATOM 435 C PHE A 29 7.024 -6.137 7.223 1.00 1.00 C ATOM 436 O PHE A 29 8.080 -5.538 7.016 1.00 1.00 O ATOM 437 CB PHE A 29 5.204 -6.381 5.458 1.00 1.00 C ATOM 438 CG PHE A 29 5.251 -4.870 5.622 1.00 1.00 C ATOM 439 CD1 PHE A 29 4.678 -4.288 6.759 1.00 1.00 C ATOM 440 CD2 PHE A 29 5.872 -4.065 4.664 1.00 1.00 C ATOM 441 CE1 PHE A 29 4.716 -2.904 6.935 1.00 1.00 C ATOM 442 CE2 PHE A 29 5.909 -2.677 4.838 1.00 1.00 C ATOM 443 CZ PHE A 29 5.327 -2.098 5.974 1.00 1.00 C ATOM 0 H PHE A 29 5.021 -8.531 6.680 1.00 1.00 H new ATOM 0 HA PHE A 29 7.190 -7.232 5.399 1.00 1.00 H new ATOM 0 HB2 PHE A 29 5.198 -6.636 4.398 1.00 1.00 H new ATOM 0 HB3 PHE A 29 4.279 -6.768 5.884 1.00 1.00 H new ATOM 0 HD1 PHE A 29 4.205 -4.912 7.503 1.00 1.00 H new ATOM 0 HD2 PHE A 29 6.323 -4.513 3.791 1.00 1.00 H new ATOM 0 HE1 PHE A 29 4.273 -2.458 7.813 1.00 1.00 H new ATOM 0 HE2 PHE A 29 6.386 -2.052 4.097 1.00 1.00 H new ATOM 0 HZ PHE A 29 5.352 -1.026 6.106 1.00 1.00 H new ATOM 453 N GLU A 30 6.337 -6.031 8.356 1.00 1.00 N ATOM 454 CA GLU A 30 6.809 -5.175 9.435 1.00 1.00 C ATOM 455 C GLU A 30 8.261 -5.493 9.779 1.00 1.00 C ATOM 456 O GLU A 30 9.051 -4.591 10.060 1.00 1.00 O ATOM 457 CB GLU A 30 5.917 -5.357 10.666 1.00 1.00 C ATOM 458 CG GLU A 30 6.410 -4.471 11.812 1.00 1.00 C ATOM 459 CD GLU A 30 5.435 -4.541 12.981 1.00 1.00 C ATOM 460 OE1 GLU A 30 4.601 -5.433 12.981 1.00 1.00 O ATOM 461 OE2 GLU A 30 5.536 -3.703 13.863 1.00 1.00 O ATOM 0 H GLU A 30 5.463 -6.521 8.548 1.00 1.00 H new ATOM 0 HA GLU A 30 6.758 -4.137 9.108 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.886 -5.103 10.418 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.922 -6.402 10.976 1.00 1.00 H new ATOM 0 HG2 GLU A 30 7.400 -4.795 12.133 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.507 -3.441 11.470 1.00 1.00 H new ATOM 468 N LYS A 31 8.599 -6.777 9.751 1.00 1.00 N ATOM 469 CA LYS A 31 9.960 -7.202 10.054 1.00 1.00 C ATOM 470 C LYS A 31 10.934 -6.710 8.983 1.00 1.00 C ATOM 471 O LYS A 31 12.048 -6.290 9.295 1.00 1.00 O ATOM 472 CB LYS A 31 10.027 -8.736 10.173 1.00 1.00 C ATOM 473 CG LYS A 31 9.373 -9.191 11.487 1.00 1.00 C ATOM 474 CD LYS A 31 9.403 -10.722 11.583 1.00 1.00 C ATOM 475 CE LYS A 31 8.928 -11.173 12.969 1.00 1.00 C ATOM 476 NZ LYS A 31 7.526 -10.724 13.202 1.00 1.00 N ATOM 0 H LYS A 31 7.956 -7.535 9.524 1.00 1.00 H new ATOM 0 HA LYS A 31 10.251 -6.763 11.008 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.519 -9.197 9.326 1.00 1.00 H new ATOM 0 HB3 LYS A 31 11.065 -9.066 10.141 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.900 -8.754 12.336 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.344 -8.835 11.533 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.765 -11.155 10.813 1.00 1.00 H new ATOM 0 HD3 LYS A 31 10.414 -11.086 11.401 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.988 -12.259 13.047 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.582 -10.762 13.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.470 -10.215 14.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.231 -10.092 12.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 6.897 -11.552 13.231 1.00 1.00 H new ATOM 490 N ALA A 32 10.505 -6.772 7.726 1.00 1.00 N ATOM 491 CA ALA A 32 11.362 -6.336 6.626 1.00 1.00 C ATOM 492 C ALA A 32 11.855 -4.911 6.852 1.00 1.00 C ATOM 493 O ALA A 32 13.046 -4.624 6.724 1.00 1.00 O ATOM 494 CB ALA A 32 10.585 -6.426 5.314 1.00 1.00 C ATOM 0 H ALA A 32 9.586 -7.113 7.445 1.00 1.00 H new ATOM 0 HA ALA A 32 12.234 -6.988 6.578 1.00 1.00 H new ATOM 0 HB1 ALA A 32 11.222 -6.101 4.491 1.00 1.00 H new ATOM 0 HB2 ALA A 32 10.272 -7.457 5.146 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.706 -5.784 5.367 1.00 1.00 H new ATOM 500 N ILE A 33 10.918 -4.029 7.185 1.00 1.00 N ATOM 501 CA ILE A 33 11.253 -2.636 7.442 1.00 1.00 C ATOM 502 C ILE A 33 12.184 -2.530 8.653 1.00 1.00 C ATOM 503 O ILE A 33 13.073 -1.680 8.698 1.00 1.00 O ATOM 504 CB ILE A 33 9.960 -1.805 7.668 1.00 1.00 C ATOM 505 CG1 ILE A 33 9.392 -1.357 6.307 1.00 1.00 C ATOM 506 CG2 ILE A 33 10.244 -0.568 8.553 1.00 1.00 C ATOM 507 CD1 ILE A 33 8.065 -0.632 6.511 1.00 1.00 C ATOM 0 H ILE A 33 9.928 -4.253 7.282 1.00 1.00 H new ATOM 0 HA ILE A 33 11.773 -2.232 6.573 1.00 1.00 H new ATOM 0 HB ILE A 33 9.231 -2.431 8.182 1.00 1.00 H new ATOM 0 HG12 ILE A 33 10.102 -0.700 5.805 1.00 1.00 H new ATOM 0 HG13 ILE A 33 9.248 -2.223 5.661 1.00 1.00 H new ATOM 0 HG21 ILE A 33 9.323 -0.003 8.696 1.00 1.00 H new ATOM 0 HG22 ILE A 33 10.624 -0.893 9.521 1.00 1.00 H new ATOM 0 HG23 ILE A 33 10.986 0.065 8.066 1.00 1.00 H new ATOM 0 HD11 ILE A 33 7.670 -0.318 5.545 1.00 1.00 H new ATOM 0 HD12 ILE A 33 7.354 -1.303 6.994 1.00 1.00 H new ATOM 0 HD13 ILE A 33 8.222 0.244 7.141 1.00 1.00 H new ATOM 519 N GLN A 34 11.973 -3.384 9.648 1.00 1.00 N ATOM 520 CA GLN A 34 12.784 -3.348 10.859 1.00 1.00 C ATOM 521 C GLN A 34 14.256 -3.550 10.522 1.00 1.00 C ATOM 522 O GLN A 34 15.126 -2.874 11.072 1.00 1.00 O ATOM 523 CB GLN A 34 12.303 -4.429 11.825 1.00 1.00 C ATOM 524 CG GLN A 34 12.998 -4.281 13.178 1.00 1.00 C ATOM 525 CD GLN A 34 12.462 -5.337 14.139 1.00 1.00 C ATOM 526 OE1 GLN A 34 12.609 -6.535 13.890 1.00 1.00 O ATOM 527 NE2 GLN A 34 11.838 -4.966 15.223 1.00 1.00 N ATOM 0 H GLN A 34 11.252 -4.105 9.641 1.00 1.00 H new ATOM 0 HA GLN A 34 12.677 -2.372 11.332 1.00 1.00 H new ATOM 0 HB2 GLN A 34 11.223 -4.356 11.954 1.00 1.00 H new ATOM 0 HB3 GLN A 34 12.509 -5.415 11.409 1.00 1.00 H new ATOM 0 HG2 GLN A 34 14.076 -4.394 13.060 1.00 1.00 H new ATOM 0 HG3 GLN A 34 12.824 -3.284 13.582 1.00 1.00 H new ATOM 0 HE21 GLN A 34 11.717 -3.974 15.428 1.00 1.00 H new ATOM 0 HE22 GLN A 34 11.471 -5.668 15.866 1.00 1.00 H new ATOM 536 N LEU A 35 14.509 -4.482 9.610 1.00 1.00 N ATOM 537 CA LEU A 35 15.875 -4.766 9.190 1.00 1.00 C ATOM 538 C LEU A 35 16.410 -3.636 8.307 1.00 1.00 C ATOM 539 O LEU A 35 17.570 -3.241 8.419 1.00 1.00 O ATOM 540 CB LEU A 35 15.931 -6.117 8.442 1.00 1.00 C ATOM 541 CG LEU A 35 16.130 -7.279 9.432 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.937 -7.370 10.390 1.00 1.00 C ATOM 543 CD2 LEU A 35 16.258 -8.590 8.661 1.00 1.00 C ATOM 0 H LEU A 35 13.795 -5.048 9.152 1.00 1.00 H new ATOM 0 HA LEU A 35 16.507 -4.833 10.075 1.00 1.00 H new ATOM 0 HB2 LEU A 35 15.009 -6.266 7.880 1.00 1.00 H new ATOM 0 HB3 LEU A 35 16.747 -6.105 7.719 1.00 1.00 H new ATOM 0 HG LEU A 35 17.037 -7.099 10.008 1.00 1.00 H new ATOM 0 HD11 LEU A 35 15.090 -8.196 11.085 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.847 -6.438 10.948 1.00 1.00 H new ATOM 0 HD13 LEU A 35 14.024 -7.541 9.819 1.00 1.00 H new ATOM 0 HD21 LEU A 35 16.399 -9.412 9.362 1.00 1.00 H new ATOM 0 HD22 LEU A 35 15.352 -8.760 8.080 1.00 1.00 H new ATOM 0 HD23 LEU A 35 17.115 -8.535 7.990 1.00 1.00 H new ATOM 555 N ASP A 36 15.553 -3.126 7.429 1.00 1.00 N ATOM 556 CA ASP A 36 15.949 -2.048 6.517 1.00 1.00 C ATOM 557 C ASP A 36 14.770 -1.101 6.243 1.00 1.00 C ATOM 558 O ASP A 36 13.917 -1.423 5.415 1.00 1.00 O ATOM 559 CB ASP A 36 16.435 -2.663 5.200 1.00 1.00 C ATOM 560 CG ASP A 36 17.614 -3.590 5.479 1.00 1.00 C ATOM 561 OD1 ASP A 36 18.584 -3.125 6.055 1.00 1.00 O ATOM 562 OD2 ASP A 36 17.532 -4.751 5.112 1.00 1.00 O ATOM 0 H ASP A 36 14.587 -3.435 7.326 1.00 1.00 H new ATOM 0 HA ASP A 36 16.749 -1.470 6.979 1.00 1.00 H new ATOM 0 HB2 ASP A 36 15.626 -3.218 4.725 1.00 1.00 H new ATOM 0 HB3 ASP A 36 16.733 -1.877 4.506 1.00 1.00 H new ATOM 567 N PRO A 37 14.717 0.024 6.900 1.00 1.00 N ATOM 568 CA PRO A 37 13.603 0.990 6.688 1.00 1.00 C ATOM 569 C PRO A 37 13.885 1.922 5.508 1.00 1.00 C ATOM 570 O PRO A 37 14.362 3.044 5.675 1.00 1.00 O ATOM 571 CB PRO A 37 13.550 1.747 8.021 1.00 1.00 C ATOM 572 CG PRO A 37 14.978 1.795 8.486 1.00 1.00 C ATOM 573 CD PRO A 37 15.664 0.533 7.917 1.00 1.00 C ATOM 0 HA PRO A 37 12.657 0.511 6.435 1.00 1.00 H new ATOM 0 HB2 PRO A 37 13.141 2.749 7.892 1.00 1.00 H new ATOM 0 HB3 PRO A 37 12.915 1.234 8.743 1.00 1.00 H new ATOM 0 HG2 PRO A 37 15.472 2.699 8.131 1.00 1.00 H new ATOM 0 HG3 PRO A 37 15.032 1.809 9.575 1.00 1.00 H new ATOM 0 HD2 PRO A 37 16.631 0.772 7.475 1.00 1.00 H new ATOM 0 HD3 PRO A 37 15.844 -0.207 8.697 1.00 1.00 H new ATOM 581 N GLU A 38 13.578 1.456 4.302 1.00 1.00 N ATOM 582 CA GLU A 38 13.783 2.235 3.085 1.00 1.00 C ATOM 583 C GLU A 38 13.226 1.489 1.871 1.00 1.00 C ATOM 584 O GLU A 38 13.133 2.048 0.778 1.00 1.00 O ATOM 585 CB GLU A 38 15.275 2.531 2.876 1.00 1.00 C ATOM 586 CG GLU A 38 16.084 1.228 2.860 1.00 1.00 C ATOM 587 CD GLU A 38 17.575 1.548 2.771 1.00 1.00 C ATOM 588 OE1 GLU A 38 17.997 2.496 3.414 1.00 1.00 O ATOM 589 OE2 GLU A 38 18.276 0.842 2.062 1.00 1.00 O ATOM 0 H GLU A 38 13.181 0.530 4.140 1.00 1.00 H new ATOM 0 HA GLU A 38 13.250 3.180 3.194 1.00 1.00 H new ATOM 0 HB2 GLU A 38 15.418 3.066 1.937 1.00 1.00 H new ATOM 0 HB3 GLU A 38 15.638 3.181 3.672 1.00 1.00 H new ATOM 0 HG2 GLU A 38 15.879 0.651 3.762 1.00 1.00 H new ATOM 0 HG3 GLU A 38 15.783 0.612 2.012 1.00 1.00 H new ATOM 596 N GLU A 39 12.850 0.227 2.052 1.00 1.00 N ATOM 597 CA GLU A 39 12.304 -0.589 0.971 1.00 1.00 C ATOM 598 C GLU A 39 10.902 -0.121 0.594 1.00 1.00 C ATOM 599 O GLU A 39 9.915 -0.479 1.238 1.00 1.00 O ATOM 600 CB GLU A 39 12.256 -2.053 1.422 1.00 1.00 C ATOM 601 CG GLU A 39 13.674 -2.564 1.703 1.00 1.00 C ATOM 602 CD GLU A 39 14.485 -2.620 0.411 1.00 1.00 C ATOM 603 OE1 GLU A 39 14.010 -3.222 -0.535 1.00 1.00 O ATOM 604 OE2 GLU A 39 15.566 -2.056 0.390 1.00 1.00 O ATOM 0 H GLU A 39 12.914 -0.258 2.947 1.00 1.00 H new ATOM 0 HA GLU A 39 12.945 -0.489 0.095 1.00 1.00 H new ATOM 0 HB2 GLU A 39 11.643 -2.146 2.319 1.00 1.00 H new ATOM 0 HB3 GLU A 39 11.787 -2.664 0.651 1.00 1.00 H new ATOM 0 HG2 GLU A 39 14.168 -1.910 2.422 1.00 1.00 H new ATOM 0 HG3 GLU A 39 13.628 -3.555 2.154 1.00 1.00 H new ATOM 611 N SER A 40 10.811 0.689 -0.457 1.00 1.00 N ATOM 612 CA SER A 40 9.526 1.204 -0.917 1.00 1.00 C ATOM 613 C SER A 40 8.621 0.068 -1.397 1.00 1.00 C ATOM 614 O SER A 40 7.442 0.007 -1.047 1.00 1.00 O ATOM 615 CB SER A 40 9.747 2.203 -2.054 1.00 1.00 C ATOM 616 OG SER A 40 8.512 2.440 -2.721 1.00 1.00 O ATOM 0 H SER A 40 11.612 1.003 -1.006 1.00 1.00 H new ATOM 0 HA SER A 40 9.037 1.703 -0.080 1.00 1.00 H new ATOM 0 HB2 SER A 40 10.145 3.138 -1.659 1.00 1.00 H new ATOM 0 HB3 SER A 40 10.484 1.814 -2.757 1.00 1.00 H new ATOM 0 HG SER A 40 8.651 3.081 -3.449 1.00 1.00 H new ATOM 622 N LYS A 41 9.176 -0.835 -2.199 1.00 1.00 N ATOM 623 CA LYS A 41 8.424 -1.967 -2.732 1.00 1.00 C ATOM 624 C LYS A 41 7.674 -2.677 -1.608 1.00 1.00 C ATOM 625 O LYS A 41 6.600 -3.241 -1.817 1.00 1.00 O ATOM 626 CB LYS A 41 9.385 -2.952 -3.417 1.00 1.00 C ATOM 627 CG LYS A 41 8.601 -4.084 -4.100 1.00 1.00 C ATOM 628 CD LYS A 41 9.568 -5.027 -4.832 1.00 1.00 C ATOM 629 CE LYS A 41 8.786 -6.166 -5.506 1.00 1.00 C ATOM 630 NZ LYS A 41 8.071 -5.646 -6.707 1.00 1.00 N ATOM 0 H LYS A 41 10.151 -0.804 -2.496 1.00 1.00 H new ATOM 0 HA LYS A 41 7.702 -1.599 -3.461 1.00 1.00 H new ATOM 0 HB2 LYS A 41 9.990 -2.425 -4.154 1.00 1.00 H new ATOM 0 HB3 LYS A 41 10.072 -3.370 -2.681 1.00 1.00 H new ATOM 0 HG2 LYS A 41 8.030 -4.641 -3.357 1.00 1.00 H new ATOM 0 HG3 LYS A 41 7.884 -3.666 -4.806 1.00 1.00 H new ATOM 0 HD2 LYS A 41 10.134 -4.471 -5.580 1.00 1.00 H new ATOM 0 HD3 LYS A 41 10.290 -5.439 -4.127 1.00 1.00 H new ATOM 0 HE2 LYS A 41 9.468 -6.966 -5.795 1.00 1.00 H new ATOM 0 HE3 LYS A 41 8.071 -6.595 -4.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.670 -6.441 -7.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 7.305 -5.010 -6.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 8.739 -5.123 -7.309 1.00 1.00 H new ATOM 644 N TYR A 42 8.220 -2.654 -0.397 1.00 1.00 N ATOM 645 CA TYR A 42 7.590 -3.283 0.763 1.00 1.00 C ATOM 646 C TYR A 42 6.459 -2.409 1.300 1.00 1.00 C ATOM 647 O TYR A 42 5.430 -2.916 1.746 1.00 1.00 O ATOM 648 CB TYR A 42 8.661 -3.524 1.857 1.00 1.00 C ATOM 649 CG TYR A 42 9.293 -4.896 1.688 1.00 1.00 C ATOM 650 CD1 TYR A 42 10.172 -5.139 0.624 1.00 1.00 C ATOM 651 CD2 TYR A 42 8.996 -5.929 2.591 1.00 1.00 C ATOM 652 CE1 TYR A 42 10.752 -6.404 0.467 1.00 1.00 C ATOM 653 CE2 TYR A 42 9.576 -7.189 2.433 1.00 1.00 C ATOM 654 CZ TYR A 42 10.455 -7.425 1.375 1.00 1.00 C ATOM 655 OH TYR A 42 11.026 -8.670 1.227 1.00 1.00 O ATOM 0 H TYR A 42 9.110 -2.200 -0.190 1.00 1.00 H new ATOM 0 HA TYR A 42 7.160 -4.239 0.465 1.00 1.00 H new ATOM 0 HB2 TYR A 42 9.429 -2.753 1.798 1.00 1.00 H new ATOM 0 HB3 TYR A 42 8.205 -3.446 2.844 1.00 1.00 H new ATOM 0 HD1 TYR A 42 10.403 -4.350 -0.076 1.00 1.00 H new ATOM 0 HD2 TYR A 42 8.316 -5.748 3.411 1.00 1.00 H new ATOM 0 HE1 TYR A 42 11.428 -6.591 -0.354 1.00 1.00 H new ATOM 0 HE2 TYR A 42 9.344 -7.981 3.130 1.00 1.00 H new ATOM 0 HH TYR A 42 11.241 -9.038 2.109 1.00 1.00 H new ATOM 665 N TRP A 43 6.660 -1.097 1.253 1.00 1.00 N ATOM 666 CA TRP A 43 5.653 -0.162 1.740 1.00 1.00 C ATOM 667 C TRP A 43 4.415 -0.207 0.854 1.00 1.00 C ATOM 668 O TRP A 43 3.297 0.015 1.320 1.00 1.00 O ATOM 669 CB TRP A 43 6.245 1.268 1.773 1.00 1.00 C ATOM 670 CG TRP A 43 6.864 1.554 3.109 1.00 1.00 C ATOM 671 CD1 TRP A 43 8.181 1.469 3.406 1.00 1.00 C ATOM 672 CD2 TRP A 43 6.194 1.978 4.328 1.00 1.00 C ATOM 673 NE1 TRP A 43 8.361 1.814 4.735 1.00 1.00 N ATOM 674 CE2 TRP A 43 7.163 2.137 5.344 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.849 2.236 4.644 1.00 1.00 C ATOM 676 CZ2 TRP A 43 6.806 2.541 6.633 1.00 1.00 C ATOM 677 CZ3 TRP A 43 4.487 2.641 5.935 1.00 1.00 C ATOM 678 CH2 TRP A 43 5.463 2.794 6.929 1.00 1.00 C ATOM 0 H TRP A 43 7.505 -0.659 0.885 1.00 1.00 H new ATOM 0 HA TRP A 43 5.359 -0.448 2.750 1.00 1.00 H new ATOM 0 HB2 TRP A 43 6.994 1.375 0.989 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.461 1.997 1.566 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.963 1.180 2.720 1.00 1.00 H new ATOM 0 HE1 TRP A 43 9.266 1.828 5.206 1.00 1.00 H new ATOM 0 HE3 TRP A 43 4.089 2.121 3.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 7.562 2.657 7.395 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.450 2.836 6.166 1.00 1.00 H new ATOM 0 HH2 TRP A 43 5.178 3.107 7.923 1.00 1.00 H new ATOM 689 N LEU A 44 4.635 -0.496 -0.425 1.00 1.00 N ATOM 690 CA LEU A 44 3.531 -0.554 -1.362 1.00 1.00 C ATOM 691 C LEU A 44 2.446 -1.499 -0.859 1.00 1.00 C ATOM 692 O LEU A 44 1.257 -1.200 -0.956 1.00 1.00 O ATOM 693 CB LEU A 44 4.056 -1.028 -2.722 1.00 1.00 C ATOM 694 CG LEU A 44 3.058 -0.671 -3.874 1.00 1.00 C ATOM 695 CD1 LEU A 44 3.824 -0.449 -5.186 1.00 1.00 C ATOM 696 CD2 LEU A 44 2.045 -1.814 -4.083 1.00 1.00 C ATOM 0 H LEU A 44 5.553 -0.690 -0.826 1.00 1.00 H new ATOM 0 HA LEU A 44 3.093 0.439 -1.462 1.00 1.00 H new ATOM 0 HB2 LEU A 44 5.024 -0.568 -2.921 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.215 -2.106 -2.697 1.00 1.00 H new ATOM 0 HG LEU A 44 2.529 0.240 -3.593 1.00 1.00 H new ATOM 0 HD11 LEU A 44 3.120 -0.201 -5.981 1.00 1.00 H new ATOM 0 HD12 LEU A 44 4.532 0.370 -5.060 1.00 1.00 H new ATOM 0 HD13 LEU A 44 4.364 -1.358 -5.450 1.00 1.00 H new ATOM 0 HD21 LEU A 44 1.359 -1.549 -4.887 1.00 1.00 H new ATOM 0 HD22 LEU A 44 2.577 -2.728 -4.346 1.00 1.00 H new ATOM 0 HD23 LEU A 44 1.482 -1.974 -3.163 1.00 1.00 H new ATOM 708 N MET A 45 2.875 -2.636 -0.319 1.00 1.00 N ATOM 709 CA MET A 45 1.916 -3.612 0.172 1.00 1.00 C ATOM 710 C MET A 45 1.111 -3.029 1.330 1.00 1.00 C ATOM 711 O MET A 45 -0.099 -3.243 1.410 1.00 1.00 O ATOM 712 CB MET A 45 2.664 -4.869 0.640 1.00 1.00 C ATOM 713 CG MET A 45 3.385 -5.513 -0.552 1.00 1.00 C ATOM 714 SD MET A 45 2.183 -6.152 -1.752 1.00 1.00 S ATOM 715 CE MET A 45 1.824 -7.738 -0.949 1.00 1.00 C ATOM 0 H MET A 45 3.855 -2.898 -0.213 1.00 1.00 H new ATOM 0 HA MET A 45 1.229 -3.873 -0.633 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.384 -4.608 1.416 1.00 1.00 H new ATOM 0 HB3 MET A 45 1.963 -5.578 1.081 1.00 1.00 H new ATOM 0 HG2 MET A 45 4.033 -4.780 -1.032 1.00 1.00 H new ATOM 0 HG3 MET A 45 4.025 -6.323 -0.203 1.00 1.00 H new ATOM 0 HE1 MET A 45 2.244 -8.550 -1.543 1.00 1.00 H new ATOM 0 HE2 MET A 45 2.267 -7.750 0.047 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.745 -7.868 -0.867 1.00 1.00 H new ATOM 725 N LYS A 46 1.813 -2.303 2.193 1.00 1.00 N ATOM 726 CA LYS A 46 1.142 -1.706 3.343 1.00 1.00 C ATOM 727 C LYS A 46 -0.101 -0.928 2.907 1.00 1.00 C ATOM 728 O LYS A 46 -1.214 -1.224 3.346 1.00 1.00 O ATOM 729 CB LYS A 46 2.096 -0.755 4.081 1.00 1.00 C ATOM 730 CG LYS A 46 1.469 -0.253 5.400 1.00 1.00 C ATOM 731 CD LYS A 46 1.337 -1.407 6.421 1.00 1.00 C ATOM 732 CE LYS A 46 1.207 -0.846 7.841 1.00 1.00 C ATOM 733 NZ LYS A 46 2.454 -0.116 8.202 1.00 1.00 N ATOM 0 H LYS A 46 2.814 -2.117 2.124 1.00 1.00 H new ATOM 0 HA LYS A 46 0.840 -2.514 4.009 1.00 1.00 H new ATOM 0 HB2 LYS A 46 3.034 -1.268 4.293 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.334 0.095 3.441 1.00 1.00 H new ATOM 0 HG2 LYS A 46 2.085 0.542 5.821 1.00 1.00 H new ATOM 0 HG3 LYS A 46 0.487 0.176 5.201 1.00 1.00 H new ATOM 0 HD2 LYS A 46 0.465 -2.016 6.182 1.00 1.00 H new ATOM 0 HD3 LYS A 46 2.208 -2.059 6.358 1.00 1.00 H new ATOM 0 HE2 LYS A 46 0.350 -0.175 7.902 1.00 1.00 H new ATOM 0 HE3 LYS A 46 1.029 -1.656 8.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 2.589 -0.148 9.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 3.267 -0.563 7.732 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 2.378 0.874 7.894 1.00 1.00 H new ATOM 747 N GLY A 47 0.093 0.064 2.045 1.00 1.00 N ATOM 748 CA GLY A 47 -1.027 0.872 1.571 1.00 1.00 C ATOM 749 C GLY A 47 -2.099 0.000 0.923 1.00 1.00 C ATOM 750 O GLY A 47 -3.278 0.097 1.264 1.00 1.00 O ATOM 0 H GLY A 47 1.002 0.327 1.664 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -1.459 1.425 2.405 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.669 1.608 0.852 1.00 1.00 H new ATOM 754 N LYS A 48 -1.675 -0.848 -0.009 1.00 1.00 N ATOM 755 CA LYS A 48 -2.611 -1.726 -0.701 1.00 1.00 C ATOM 756 C LYS A 48 -3.391 -2.579 0.303 1.00 1.00 C ATOM 757 O LYS A 48 -4.589 -2.808 0.139 1.00 1.00 O ATOM 758 CB LYS A 48 -1.845 -2.635 -1.675 1.00 1.00 C ATOM 759 CG LYS A 48 -2.804 -3.190 -2.751 1.00 1.00 C ATOM 760 CD LYS A 48 -2.115 -4.284 -3.592 1.00 1.00 C ATOM 761 CE LYS A 48 -1.143 -3.660 -4.614 1.00 1.00 C ATOM 762 NZ LYS A 48 -1.919 -3.034 -5.722 1.00 1.00 N ATOM 0 H LYS A 48 -0.702 -0.945 -0.300 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.319 -1.113 -1.258 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.039 -2.075 -2.149 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -1.383 -3.458 -1.129 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.694 -3.599 -2.274 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -3.135 -2.380 -3.401 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.572 -4.965 -2.936 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.867 -4.876 -4.114 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.517 -2.912 -4.127 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -0.475 -4.425 -5.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -1.286 -2.842 -6.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.675 -3.681 -6.025 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -2.339 -2.142 -5.391 1.00 1.00 H new ATOM 776 N ALA A 49 -2.708 -3.044 1.344 1.00 1.00 N ATOM 777 CA ALA A 49 -3.359 -3.867 2.360 1.00 1.00 C ATOM 778 C ALA A 49 -4.417 -3.067 3.112 1.00 1.00 C ATOM 779 O ALA A 49 -5.548 -3.520 3.287 1.00 1.00 O ATOM 780 CB ALA A 49 -2.312 -4.395 3.347 1.00 1.00 C ATOM 0 H ALA A 49 -1.716 -2.869 1.507 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.849 -4.704 1.863 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.802 -5.008 4.103 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.578 -4.997 2.811 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.811 -3.556 3.829 1.00 1.00 H new ATOM 786 N LEU A 50 -4.020 -1.875 3.549 1.00 1.00 N ATOM 787 CA LEU A 50 -4.935 -1.011 4.288 1.00 1.00 C ATOM 788 C LEU A 50 -6.138 -0.646 3.428 1.00 1.00 C ATOM 789 O LEU A 50 -7.271 -0.632 3.910 1.00 1.00 O ATOM 790 CB LEU A 50 -4.196 0.261 4.710 1.00 1.00 C ATOM 791 CG LEU A 50 -3.114 -0.064 5.764 1.00 1.00 C ATOM 792 CD1 LEU A 50 -2.167 1.140 5.898 1.00 1.00 C ATOM 793 CD2 LEU A 50 -3.750 -0.359 7.137 1.00 1.00 C ATOM 0 H LEU A 50 -3.086 -1.490 3.407 1.00 1.00 H new ATOM 0 HA LEU A 50 -5.290 -1.542 5.171 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.735 0.726 3.839 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.905 0.981 5.118 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.566 -0.948 5.438 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.400 0.919 6.640 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -1.694 1.340 4.936 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.734 2.016 6.213 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.966 -0.585 7.860 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.313 0.512 7.472 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -4.421 -1.214 7.051 1.00 1.00 H new ATOM 805 N TYR A 51 -5.884 -0.353 2.156 1.00 1.00 N ATOM 806 CA TYR A 51 -6.965 0.005 1.246 1.00 1.00 C ATOM 807 C TYR A 51 -7.933 -1.167 1.077 1.00 1.00 C ATOM 808 O TYR A 51 -9.148 -1.011 1.196 1.00 1.00 O ATOM 809 CB TYR A 51 -6.377 0.420 -0.120 1.00 1.00 C ATOM 810 CG TYR A 51 -7.405 0.218 -1.224 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.711 0.704 -1.065 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.059 -0.471 -2.396 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.662 0.501 -2.073 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.009 -0.675 -3.397 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.309 -0.185 -3.238 1.00 1.00 C ATOM 816 OH TYR A 51 -10.249 -0.387 -4.230 1.00 1.00 O ATOM 0 H TYR A 51 -4.954 -0.356 1.738 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.518 0.845 1.665 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.069 1.465 -0.088 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.485 -0.169 -0.333 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.983 1.235 -0.165 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -6.054 -0.845 -2.524 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.668 0.875 -1.950 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -7.740 -1.212 -4.295 1.00 1.00 H new ATOM 0 HH TYR A 51 -10.995 0.236 -4.105 1.00 1.00 H new ATOM 826 N ASN A 52 -7.392 -2.349 0.795 1.00 1.00 N ATOM 827 CA ASN A 52 -8.215 -3.531 0.597 1.00 1.00 C ATOM 828 C ASN A 52 -8.981 -3.867 1.861 1.00 1.00 C ATOM 829 O ASN A 52 -10.085 -4.408 1.795 1.00 1.00 O ATOM 830 CB ASN A 52 -7.346 -4.717 0.190 1.00 1.00 C ATOM 831 CG ASN A 52 -6.561 -4.379 -1.072 1.00 1.00 C ATOM 832 OD1 ASN A 52 -5.520 -4.980 -1.335 1.00 1.00 O ATOM 833 ND2 ASN A 52 -6.999 -3.448 -1.874 1.00 1.00 N ATOM 0 H ASN A 52 -6.389 -2.510 0.699 1.00 1.00 H new ATOM 0 HA ASN A 52 -8.929 -3.320 -0.199 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -6.660 -4.970 0.998 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -7.970 -5.593 0.016 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -6.478 -3.218 -2.720 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -7.862 -2.951 -1.655 1.00 1.00 H new ATOM 840 N LEU A 53 -8.388 -3.539 3.004 1.00 1.00 N ATOM 841 CA LEU A 53 -9.012 -3.800 4.288 1.00 1.00 C ATOM 842 C LEU A 53 -10.137 -2.826 4.524 1.00 1.00 C ATOM 843 O LEU A 53 -10.783 -2.870 5.572 1.00 1.00 O ATOM 844 CB LEU A 53 -7.970 -3.695 5.421 1.00 1.00 C ATOM 845 CG LEU A 53 -7.123 -4.992 5.472 1.00 1.00 C ATOM 846 CD1 LEU A 53 -5.823 -4.741 6.252 1.00 1.00 C ATOM 847 CD2 LEU A 53 -7.940 -6.151 6.131 1.00 1.00 C ATOM 0 H LEU A 53 -7.474 -3.091 3.063 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.418 -4.812 4.281 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.324 -2.833 5.255 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.471 -3.538 6.376 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.870 -5.286 4.454 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -5.234 -5.658 6.283 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -5.248 -3.957 5.759 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -6.063 -4.430 7.269 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.331 -7.055 6.159 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -8.218 -5.869 7.146 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -8.841 -6.339 5.547 1.00 1.00 H new ATOM 859 N GLU A 54 -10.404 -1.946 3.563 1.00 1.00 N ATOM 860 CA GLU A 54 -11.482 -0.947 3.676 1.00 1.00 C ATOM 861 C GLU A 54 -11.033 0.244 4.519 1.00 1.00 C ATOM 862 O GLU A 54 -11.861 0.956 5.087 1.00 1.00 O ATOM 863 CB GLU A 54 -12.757 -1.596 4.311 1.00 1.00 C ATOM 864 CG GLU A 54 -12.826 -1.408 5.889 1.00 1.00 C ATOM 865 CD GLU A 54 -13.835 -0.335 6.254 1.00 1.00 C ATOM 866 OE1 GLU A 54 -14.953 -0.426 5.788 1.00 1.00 O ATOM 867 OE2 GLU A 54 -13.463 0.569 6.986 1.00 1.00 O ATOM 0 H GLU A 54 -9.887 -1.899 2.685 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.722 -0.592 2.674 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -13.646 -1.157 3.859 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -12.772 -2.660 4.076 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -13.102 -2.351 6.361 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -11.842 -1.136 6.272 1.00 1.00 H new ATOM 874 N ARG A 55 -9.725 0.457 4.614 1.00 1.00 N ATOM 875 CA ARG A 55 -9.182 1.553 5.423 1.00 1.00 C ATOM 876 C ARG A 55 -8.602 2.624 4.513 1.00 1.00 C ATOM 877 O ARG A 55 -7.388 2.804 4.432 1.00 1.00 O ATOM 878 CB ARG A 55 -8.094 1.010 6.365 1.00 1.00 C ATOM 879 CG ARG A 55 -8.561 -0.298 7.016 1.00 1.00 C ATOM 880 CD ARG A 55 -7.477 -0.801 7.971 1.00 1.00 C ATOM 881 NE ARG A 55 -7.846 -2.100 8.527 1.00 1.00 N ATOM 882 CZ ARG A 55 -7.232 -2.594 9.600 1.00 1.00 C ATOM 883 NH1 ARG A 55 -6.282 -1.912 10.181 1.00 1.00 N ATOM 884 NH2 ARG A 55 -7.580 -3.759 10.071 1.00 1.00 N ATOM 0 H ARG A 55 -9.019 -0.110 4.144 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.980 1.993 6.021 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -7.173 0.839 5.808 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.868 1.748 7.135 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -9.493 -0.136 7.558 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -8.764 -1.047 6.250 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -6.527 -0.882 7.442 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -7.332 -0.082 8.777 1.00 1.00 H new ATOM 0 HE ARG A 55 -8.589 -2.640 8.084 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -6.010 -1.000 9.813 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -5.812 -2.291 11.003 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -8.322 -4.291 9.617 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -7.110 -4.138 10.893 1.00 1.00 H new ATOM 898 N TYR A 56 -9.486 3.338 3.822 1.00 1.00 N ATOM 899 CA TYR A 56 -9.068 4.382 2.908 1.00 1.00 C ATOM 900 C TYR A 56 -8.235 5.420 3.653 1.00 1.00 C ATOM 901 O TYR A 56 -7.233 5.918 3.139 1.00 1.00 O ATOM 902 CB TYR A 56 -10.305 5.053 2.282 1.00 1.00 C ATOM 903 CG TYR A 56 -11.364 4.003 2.004 1.00 1.00 C ATOM 904 CD1 TYR A 56 -11.210 3.121 0.930 1.00 1.00 C ATOM 905 CD2 TYR A 56 -12.499 3.910 2.826 1.00 1.00 C ATOM 906 CE1 TYR A 56 -12.189 2.152 0.674 1.00 1.00 C ATOM 907 CE2 TYR A 56 -13.474 2.942 2.568 1.00 1.00 C ATOM 908 CZ TYR A 56 -13.320 2.063 1.494 1.00 1.00 C ATOM 909 OH TYR A 56 -14.280 1.107 1.241 1.00 1.00 O ATOM 0 H TYR A 56 -10.496 3.208 3.882 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.462 3.942 2.116 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.700 5.813 2.956 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -10.028 5.559 1.357 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -10.337 3.187 0.298 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -12.619 4.587 3.659 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -12.071 1.473 -0.157 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -14.347 2.874 3.200 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.998 1.181 1.904 1.00 1.00 H new ATOM 919 N GLU A 57 -8.661 5.741 4.870 1.00 1.00 N ATOM 920 CA GLU A 57 -7.952 6.723 5.672 1.00 1.00 C ATOM 921 C GLU A 57 -6.534 6.246 5.982 1.00 1.00 C ATOM 922 O GLU A 57 -5.565 6.973 5.762 1.00 1.00 O ATOM 923 CB GLU A 57 -8.717 6.967 6.978 1.00 1.00 C ATOM 924 CG GLU A 57 -8.036 8.078 7.783 1.00 1.00 C ATOM 925 CD GLU A 57 -8.872 8.416 9.013 1.00 1.00 C ATOM 926 OE1 GLU A 57 -10.021 8.008 9.057 1.00 1.00 O ATOM 927 OE2 GLU A 57 -8.351 9.080 9.895 1.00 1.00 O ATOM 0 H GLU A 57 -9.485 5.339 5.316 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.886 7.653 5.108 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -9.748 7.245 6.759 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -8.752 6.050 7.566 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -7.039 7.760 8.087 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -7.912 8.965 7.162 1.00 1.00 H new ATOM 934 N GLU A 58 -6.431 5.023 6.494 1.00 1.00 N ATOM 935 CA GLU A 58 -5.125 4.469 6.834 1.00 1.00 C ATOM 936 C GLU A 58 -4.291 4.263 5.575 1.00 1.00 C ATOM 937 O GLU A 58 -3.079 4.487 5.577 1.00 1.00 O ATOM 938 CB GLU A 58 -5.278 3.136 7.567 1.00 1.00 C ATOM 939 CG GLU A 58 -6.142 3.334 8.819 1.00 1.00 C ATOM 940 CD GLU A 58 -6.147 2.066 9.667 1.00 1.00 C ATOM 941 OE1 GLU A 58 -5.341 1.193 9.396 1.00 1.00 O ATOM 942 OE2 GLU A 58 -6.959 1.984 10.573 1.00 1.00 O ATOM 0 H GLU A 58 -7.222 4.406 6.680 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.619 5.178 7.489 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.737 2.398 6.909 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.298 2.748 7.846 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -5.759 4.169 9.405 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.161 3.589 8.529 1.00 1.00 H new ATOM 949 N ALA A 59 -4.944 3.831 4.502 1.00 1.00 N ATOM 950 CA ALA A 59 -4.245 3.597 3.242 1.00 1.00 C ATOM 951 C ALA A 59 -3.655 4.893 2.703 1.00 1.00 C ATOM 952 O ALA A 59 -2.471 4.950 2.374 1.00 1.00 O ATOM 953 CB ALA A 59 -5.209 2.986 2.223 1.00 1.00 C ATOM 0 H ALA A 59 -5.945 3.637 4.477 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.425 2.901 3.420 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.684 2.813 1.284 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.591 2.039 2.605 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.040 3.670 2.053 1.00 1.00 H new ATOM 959 N VAL A 60 -4.483 5.929 2.621 1.00 1.00 N ATOM 960 CA VAL A 60 -4.024 7.218 2.126 1.00 1.00 C ATOM 961 C VAL A 60 -2.892 7.742 3.009 1.00 1.00 C ATOM 962 O VAL A 60 -1.888 8.250 2.510 1.00 1.00 O ATOM 963 CB VAL A 60 -5.194 8.218 2.097 1.00 1.00 C ATOM 964 CG1 VAL A 60 -4.685 9.645 1.830 1.00 1.00 C ATOM 965 CG2 VAL A 60 -6.174 7.816 0.986 1.00 1.00 C ATOM 0 H VAL A 60 -5.467 5.901 2.889 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.646 7.098 1.111 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.693 8.200 3.066 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.529 10.335 1.814 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.992 9.938 2.619 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -4.173 9.675 0.868 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -7.005 8.521 0.961 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.659 7.827 0.025 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.555 6.814 1.182 1.00 1.00 H new ATOM 975 N ASP A 61 -3.036 7.622 4.325 1.00 1.00 N ATOM 976 CA ASP A 61 -2.013 8.092 5.252 1.00 1.00 C ATOM 977 C ASP A 61 -0.718 7.312 5.066 1.00 1.00 C ATOM 978 O ASP A 61 0.369 7.885 5.142 1.00 1.00 O ATOM 979 CB ASP A 61 -2.508 7.953 6.696 1.00 1.00 C ATOM 980 CG ASP A 61 -1.562 8.675 7.650 1.00 1.00 C ATOM 981 OD1 ASP A 61 -1.089 9.741 7.290 1.00 1.00 O ATOM 982 OD2 ASP A 61 -1.325 8.154 8.728 1.00 1.00 O ATOM 0 H ASP A 61 -3.851 7.203 4.773 1.00 1.00 H new ATOM 0 HA ASP A 61 -1.815 9.143 5.043 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -3.512 8.368 6.785 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -2.573 6.899 6.966 1.00 1.00 H new ATOM 987 N CYS A 62 -0.844 6.012 4.821 1.00 1.00 N ATOM 988 CA CYS A 62 0.333 5.173 4.622 1.00 1.00 C ATOM 989 C CYS A 62 0.991 5.491 3.285 1.00 1.00 C ATOM 990 O CYS A 62 2.193 5.753 3.222 1.00 1.00 O ATOM 991 CB CYS A 62 -0.056 3.692 4.660 1.00 1.00 C ATOM 992 SG CYS A 62 1.396 2.681 4.267 1.00 1.00 S ATOM 0 H CYS A 62 -1.736 5.521 4.756 1.00 1.00 H new ATOM 0 HA CYS A 62 1.039 5.379 5.426 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.440 3.430 5.646 1.00 1.00 H new ATOM 0 HB3 CYS A 62 -0.855 3.495 3.945 1.00 1.00 H new ATOM 0 HG CYS A 62 2.462 3.248 4.748 1.00 1.00 H new ATOM 998 N TYR A 63 0.196 5.468 2.220 1.00 1.00 N ATOM 999 CA TYR A 63 0.737 5.751 0.892 1.00 1.00 C ATOM 1000 C TYR A 63 1.546 7.053 0.917 1.00 1.00 C ATOM 1001 O TYR A 63 2.616 7.139 0.314 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.424 5.854 -0.138 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.210 7.025 -1.086 1.00 1.00 C ATOM 1004 CD1 TYR A 63 -0.552 8.326 -0.684 1.00 1.00 C ATOM 1005 CD2 TYR A 63 0.344 6.815 -2.350 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.335 9.409 -1.547 1.00 1.00 C ATOM 1007 CE2 TYR A 63 0.562 7.897 -3.216 1.00 1.00 C ATOM 1008 CZ TYR A 63 0.221 9.191 -2.813 1.00 1.00 C ATOM 1009 OH TYR A 63 0.425 10.254 -3.668 1.00 1.00 O ATOM 0 H TYR A 63 -0.803 5.262 2.245 1.00 1.00 H new ATOM 0 HA TYR A 63 1.400 4.938 0.596 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.492 4.928 -0.708 1.00 1.00 H new ATOM 0 HB3 TYR A 63 -1.371 5.975 0.387 1.00 1.00 H new ATOM 0 HD1 TYR A 63 -0.983 8.493 0.292 1.00 1.00 H new ATOM 0 HD2 TYR A 63 0.606 5.815 -2.663 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.596 10.410 -1.236 1.00 1.00 H new ATOM 0 HE2 TYR A 63 0.993 7.730 -4.192 1.00 1.00 H new ATOM 0 HH TYR A 63 0.819 9.930 -4.505 1.00 1.00 H new ATOM 1019 N ASN A 64 1.028 8.060 1.614 1.00 1.00 N ATOM 1020 CA ASN A 64 1.712 9.339 1.686 1.00 1.00 C ATOM 1021 C ASN A 64 3.101 9.160 2.282 1.00 1.00 C ATOM 1022 O ASN A 64 3.988 9.979 2.037 1.00 1.00 O ATOM 1023 CB ASN A 64 0.896 10.318 2.528 1.00 1.00 C ATOM 1024 CG ASN A 64 1.631 11.648 2.644 1.00 1.00 C ATOM 1025 OD1 ASN A 64 2.040 12.221 1.636 1.00 1.00 O ATOM 1026 ND2 ASN A 64 1.829 12.169 3.822 1.00 1.00 N ATOM 0 H ASN A 64 0.149 8.014 2.129 1.00 1.00 H new ATOM 0 HA ASN A 64 1.816 9.742 0.679 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.083 10.473 2.073 1.00 1.00 H new ATOM 0 HB3 ASN A 64 0.724 9.901 3.520 1.00 1.00 H new ATOM 0 HD21 ASN A 64 2.325 13.056 3.911 1.00 1.00 H new ATOM 0 HD22 ASN A 64 1.488 11.690 4.655 1.00 1.00 H new ATOM 1033 N TYR A 65 3.259 8.091 3.054 1.00 1.00 N ATOM 1034 CA TYR A 65 4.543 7.815 3.673 1.00 1.00 C ATOM 1035 C TYR A 65 5.613 7.651 2.598 1.00 1.00 C ATOM 1036 O TYR A 65 6.708 8.200 2.727 1.00 1.00 O ATOM 1037 CB TYR A 65 4.461 6.538 4.516 1.00 1.00 C ATOM 1038 CG TYR A 65 5.736 6.359 5.305 1.00 1.00 C ATOM 1039 CD1 TYR A 65 6.824 5.687 4.731 1.00 1.00 C ATOM 1040 CD2 TYR A 65 5.832 6.859 6.610 1.00 1.00 C ATOM 1041 CE1 TYR A 65 8.004 5.514 5.459 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.012 6.684 7.339 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.098 6.012 6.765 1.00 1.00 C ATOM 1044 OH TYR A 65 9.263 5.845 7.485 1.00 1.00 O ATOM 0 H TYR A 65 2.526 7.413 3.262 1.00 1.00 H new ATOM 0 HA TYR A 65 4.807 8.652 4.320 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.609 6.593 5.193 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.299 5.675 3.870 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.750 5.302 3.725 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.995 7.379 7.053 1.00 1.00 H new ATOM 0 HE1 TYR A 65 8.842 4.997 5.016 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.086 7.068 8.346 1.00 1.00 H new ATOM 0 HH TYR A 65 9.161 6.250 8.371 1.00 1.00 H new ATOM 1054 N VAL A 66 5.295 6.893 1.554 1.00 1.00 N ATOM 1055 CA VAL A 66 6.253 6.668 0.472 1.00 1.00 C ATOM 1056 C VAL A 66 6.515 7.961 -0.293 1.00 1.00 C ATOM 1057 O VAL A 66 7.662 8.308 -0.574 1.00 1.00 O ATOM 1058 CB VAL A 66 5.728 5.591 -0.484 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.711 5.385 -1.648 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.569 4.277 0.282 1.00 1.00 C ATOM 0 H VAL A 66 4.395 6.429 1.432 1.00 1.00 H new ATOM 0 HA VAL A 66 7.191 6.328 0.910 1.00 1.00 H new ATOM 0 HB VAL A 66 4.766 5.909 -0.887 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.325 4.617 -2.319 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.827 6.320 -2.196 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.678 5.071 -1.256 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.196 3.506 -0.392 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.535 3.971 0.684 1.00 1.00 H new ATOM 0 HG23 VAL A 66 4.863 4.416 1.101 1.00 1.00 H new ATOM 1070 N ILE A 67 5.450 8.679 -0.637 1.00 1.00 N ATOM 1071 CA ILE A 67 5.578 9.931 -1.377 1.00 1.00 C ATOM 1072 C ILE A 67 6.255 10.990 -0.509 1.00 1.00 C ATOM 1073 O ILE A 67 7.064 11.784 -0.988 1.00 1.00 O ATOM 1074 CB ILE A 67 4.185 10.405 -1.857 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.769 9.596 -3.099 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.207 11.904 -2.218 1.00 1.00 C ATOM 1077 CD1 ILE A 67 3.787 8.095 -2.787 1.00 1.00 C ATOM 0 H ILE A 67 4.490 8.416 -0.416 1.00 1.00 H new ATOM 0 HA ILE A 67 6.203 9.768 -2.255 1.00 1.00 H new ATOM 0 HB ILE A 67 3.472 10.250 -1.048 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.771 9.896 -3.419 1.00 1.00 H new ATOM 0 HG13 ILE A 67 4.447 9.811 -3.925 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.216 12.212 -2.552 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.491 12.485 -1.341 1.00 1.00 H new ATOM 0 HG23 ILE A 67 4.929 12.075 -3.016 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.491 7.535 -3.674 1.00 1.00 H new ATOM 0 HD12 ILE A 67 4.792 7.797 -2.489 1.00 1.00 H new ATOM 0 HD13 ILE A 67 3.091 7.884 -1.975 1.00 1.00 H new ATOM 1089 N ASN A 68 5.919 11.006 0.777 1.00 1.00 N ATOM 1090 CA ASN A 68 6.488 11.981 1.701 1.00 1.00 C ATOM 1091 C ASN A 68 7.925 11.622 2.055 1.00 1.00 C ATOM 1092 O ASN A 68 8.859 12.299 1.624 1.00 1.00 O ATOM 1093 CB ASN A 68 5.634 12.035 2.971 1.00 1.00 C ATOM 1094 CG ASN A 68 6.144 13.130 3.898 1.00 1.00 C ATOM 1095 OD1 ASN A 68 7.173 13.746 3.623 1.00 1.00 O ATOM 1096 ND2 ASN A 68 5.481 13.416 4.984 1.00 1.00 N ATOM 0 H ASN A 68 5.257 10.357 1.202 1.00 1.00 H new ATOM 0 HA ASN A 68 6.493 12.959 1.219 1.00 1.00 H new ATOM 0 HB2 ASN A 68 4.593 12.224 2.711 1.00 1.00 H new ATOM 0 HB3 ASN A 68 5.665 11.072 3.481 1.00 1.00 H new ATOM 0 HD21 ASN A 68 5.815 14.151 5.607 1.00 1.00 H new ATOM 0 HD22 ASN A 68 4.628 12.904 5.210 1.00 1.00 H new ATOM 1103 N VAL A 69 8.069 10.562 2.842 1.00 1.00 N ATOM 1104 CA VAL A 69 9.400 10.125 3.257 1.00 1.00 C ATOM 1105 C VAL A 69 10.332 10.029 2.056 1.00 1.00 C ATOM 1106 O VAL A 69 11.466 10.503 2.104 1.00 1.00 O ATOM 1107 CB VAL A 69 9.313 8.756 3.952 1.00 1.00 C ATOM 1108 CG1 VAL A 69 10.724 8.300 4.368 1.00 1.00 C ATOM 1109 CG2 VAL A 69 8.365 8.850 5.192 1.00 1.00 C ATOM 0 H VAL A 69 7.299 9.998 3.201 1.00 1.00 H new ATOM 0 HA VAL A 69 9.800 10.861 3.955 1.00 1.00 H new ATOM 0 HB VAL A 69 8.900 8.019 3.263 1.00 1.00 H new ATOM 0 HG11 VAL A 69 10.662 7.330 4.861 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.356 8.218 3.483 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.154 9.029 5.055 1.00 1.00 H new ATOM 0 HG21 VAL A 69 8.307 7.877 5.680 1.00 1.00 H new ATOM 0 HG22 VAL A 69 8.756 9.586 5.894 1.00 1.00 H new ATOM 0 HG23 VAL A 69 7.370 9.152 4.867 1.00 1.00 H new ATOM 1119 N ILE A 70 9.858 9.422 0.973 1.00 1.00 N ATOM 1120 CA ILE A 70 10.655 9.264 -0.250 1.00 1.00 C ATOM 1121 C ILE A 70 10.047 10.097 -1.372 1.00 1.00 C ATOM 1122 O ILE A 70 8.847 10.042 -1.644 1.00 1.00 O ATOM 1123 CB ILE A 70 10.694 7.787 -0.668 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.170 6.930 0.513 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.667 7.613 -1.838 1.00 1.00 C ATOM 1126 CD1 ILE A 70 11.019 5.446 0.167 1.00 1.00 C ATOM 0 H ILE A 70 8.920 9.027 0.912 1.00 1.00 H new ATOM 0 HA ILE A 70 11.672 9.605 -0.055 1.00 1.00 H new ATOM 0 HB ILE A 70 9.695 7.472 -0.970 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.211 7.156 0.742 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.589 7.167 1.404 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.695 6.565 -2.135 1.00 1.00 H new ATOM 0 HG22 ILE A 70 11.335 8.220 -2.680 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.664 7.930 -1.532 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.358 4.840 1.007 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.972 5.225 -0.041 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.620 5.215 -0.713 1.00 1.00 H new ATOM 1138 N GLU A 71 10.875 10.887 -2.047 1.00 1.00 N ATOM 1139 CA GLU A 71 10.417 11.732 -3.141 1.00 1.00 C ATOM 1140 C GLU A 71 10.230 10.902 -4.407 1.00 1.00 C ATOM 1141 O GLU A 71 10.297 11.422 -5.521 1.00 1.00 O ATOM 1142 CB GLU A 71 11.445 12.852 -3.397 1.00 1.00 C ATOM 1143 CG GLU A 71 10.790 14.032 -4.136 1.00 1.00 C ATOM 1144 CD GLU A 71 9.845 14.783 -3.201 1.00 1.00 C ATOM 1145 OE1 GLU A 71 9.994 14.640 -1.999 1.00 1.00 O ATOM 1146 OE2 GLU A 71 8.987 15.489 -3.703 1.00 1.00 O ATOM 0 H GLU A 71 11.874 10.959 -1.853 1.00 1.00 H new ATOM 0 HA GLU A 71 9.460 12.176 -2.868 1.00 1.00 H new ATOM 0 HB2 GLU A 71 11.860 13.195 -2.449 1.00 1.00 H new ATOM 0 HB3 GLU A 71 12.275 12.463 -3.986 1.00 1.00 H new ATOM 0 HG2 GLU A 71 11.559 14.709 -4.508 1.00 1.00 H new ATOM 0 HG3 GLU A 71 10.240 13.667 -5.003 1.00 1.00 H new ATOM 1153 N ASP A 72 9.999 9.603 -4.257 1.00 1.00 N ATOM 1154 CA ASP A 72 9.808 8.714 -5.392 1.00 1.00 C ATOM 1155 C ASP A 72 8.426 8.919 -6.005 1.00 1.00 C ATOM 1156 O ASP A 72 7.893 8.031 -6.669 1.00 1.00 O ATOM 1157 CB ASP A 72 9.974 7.258 -4.944 1.00 1.00 C ATOM 1158 CG ASP A 72 9.065 6.961 -3.753 1.00 1.00 C ATOM 1159 OD1 ASP A 72 8.435 7.885 -3.265 1.00 1.00 O ATOM 1160 OD2 ASP A 72 9.016 5.812 -3.344 1.00 1.00 O ATOM 0 H ASP A 72 9.939 9.140 -3.350 1.00 1.00 H new ATOM 0 HA ASP A 72 10.559 8.944 -6.148 1.00 1.00 H new ATOM 0 HB2 ASP A 72 9.734 6.587 -5.769 1.00 1.00 H new ATOM 0 HB3 ASP A 72 11.013 7.070 -4.673 1.00 1.00 H new ATOM 1165 N GLU A 73 7.844 10.093 -5.785 1.00 1.00 N ATOM 1166 CA GLU A 73 6.523 10.422 -6.314 1.00 1.00 C ATOM 1167 C GLU A 73 6.500 10.256 -7.830 1.00 1.00 C ATOM 1168 O GLU A 73 6.588 11.230 -8.577 1.00 1.00 O ATOM 1169 CB GLU A 73 6.159 11.862 -5.943 1.00 1.00 C ATOM 1170 CG GLU A 73 4.718 12.167 -6.364 1.00 1.00 C ATOM 1171 CD GLU A 73 4.326 13.572 -5.916 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.205 14.311 -5.501 1.00 1.00 O ATOM 1173 OE2 GLU A 73 3.151 13.897 -6.000 1.00 1.00 O ATOM 0 H GLU A 73 8.271 10.841 -5.238 1.00 1.00 H new ATOM 0 HA GLU A 73 5.792 9.742 -5.877 1.00 1.00 H new ATOM 0 HB2 GLU A 73 6.271 12.008 -4.869 1.00 1.00 H new ATOM 0 HB3 GLU A 73 6.843 12.556 -6.432 1.00 1.00 H new ATOM 0 HG2 GLU A 73 4.622 12.082 -7.446 1.00 1.00 H new ATOM 0 HG3 GLU A 73 4.040 11.435 -5.925 1.00 1.00 H new ATOM 1180 N TYR A 74 6.376 9.010 -8.275 1.00 1.00 N ATOM 1181 CA TYR A 74 6.341 8.720 -9.701 1.00 1.00 C ATOM 1182 C TYR A 74 5.903 7.281 -9.946 1.00 1.00 C ATOM 1183 O TYR A 74 5.286 6.978 -10.967 1.00 1.00 O ATOM 1184 CB TYR A 74 7.726 8.932 -10.309 1.00 1.00 C ATOM 1185 CG TYR A 74 7.671 8.639 -11.791 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.182 9.607 -12.676 1.00 1.00 C ATOM 1187 CD2 TYR A 74 8.098 7.397 -12.281 1.00 1.00 C ATOM 1188 CE1 TYR A 74 7.121 9.334 -14.048 1.00 1.00 C ATOM 1189 CE2 TYR A 74 8.037 7.126 -13.651 1.00 1.00 C ATOM 1190 CZ TYR A 74 7.549 8.094 -14.536 1.00 1.00 C ATOM 1191 OH TYR A 74 7.491 7.826 -15.887 1.00 1.00 O ATOM 0 H TYR A 74 6.299 8.191 -7.672 1.00 1.00 H new ATOM 0 HA TYR A 74 5.625 9.395 -10.170 1.00 1.00 H new ATOM 0 HB2 TYR A 74 8.056 9.957 -10.141 1.00 1.00 H new ATOM 0 HB3 TYR A 74 8.452 8.280 -9.824 1.00 1.00 H new ATOM 0 HD1 TYR A 74 6.852 10.564 -12.301 1.00 1.00 H new ATOM 0 HD2 TYR A 74 8.475 6.649 -11.599 1.00 1.00 H new ATOM 0 HE1 TYR A 74 6.743 10.081 -14.730 1.00 1.00 H new ATOM 0 HE2 TYR A 74 8.367 6.169 -14.027 1.00 1.00 H new ATOM 0 HH TYR A 74 8.207 7.202 -16.128 1.00 1.00 H new ATOM 1201 N ASN A 75 6.222 6.398 -9.006 1.00 1.00 N ATOM 1202 CA ASN A 75 5.864 4.986 -9.124 1.00 1.00 C ATOM 1203 C ASN A 75 4.425 4.838 -9.624 1.00 1.00 C ATOM 1204 O ASN A 75 3.458 5.174 -8.938 1.00 1.00 O ATOM 1205 CB ASN A 75 6.042 4.289 -7.762 1.00 1.00 C ATOM 1206 CG ASN A 75 7.519 4.033 -7.466 1.00 1.00 C ATOM 1207 OD1 ASN A 75 8.318 3.852 -8.383 1.00 1.00 O ATOM 1208 ND2 ASN A 75 7.927 3.998 -6.223 1.00 1.00 N ATOM 0 H ASN A 75 6.728 6.634 -8.152 1.00 1.00 H new ATOM 0 HA ASN A 75 6.524 4.511 -9.850 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.612 4.907 -6.974 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.498 3.344 -7.759 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.909 3.820 -6.013 1.00 1.00 H new ATOM 0 HD22 ASN A 75 7.263 4.148 -5.464 1.00 1.00 H new ATOM 1215 N LYS A 76 4.277 4.331 -10.843 1.00 1.00 N ATOM 1216 CA LYS A 76 2.961 4.145 -11.448 1.00 1.00 C ATOM 1217 C LYS A 76 2.127 3.176 -10.619 1.00 1.00 C ATOM 1218 O LYS A 76 0.915 3.344 -10.483 1.00 1.00 O ATOM 1219 CB LYS A 76 3.127 3.604 -12.871 1.00 1.00 C ATOM 1220 CG LYS A 76 3.816 4.661 -13.746 1.00 1.00 C ATOM 1221 CD LYS A 76 4.054 4.093 -15.147 1.00 1.00 C ATOM 1222 CE LYS A 76 4.724 5.151 -16.032 1.00 1.00 C ATOM 1223 NZ LYS A 76 6.082 5.457 -15.496 1.00 1.00 N ATOM 0 H LYS A 76 5.055 4.040 -11.435 1.00 1.00 H new ATOM 0 HA LYS A 76 2.446 5.105 -11.480 1.00 1.00 H new ATOM 0 HB2 LYS A 76 3.718 2.688 -12.856 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.154 3.349 -13.290 1.00 1.00 H new ATOM 0 HG2 LYS A 76 3.198 5.557 -13.806 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.764 4.957 -13.297 1.00 1.00 H new ATOM 0 HD2 LYS A 76 4.683 3.205 -15.087 1.00 1.00 H new ATOM 0 HD3 LYS A 76 3.107 3.783 -15.589 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.799 4.789 -17.057 1.00 1.00 H new ATOM 0 HE3 LYS A 76 4.118 6.057 -16.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 6.247 6.483 -15.535 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 6.147 5.133 -14.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 6.800 4.969 -16.069 1.00 1.00 H new ATOM 1237 N ASP A 77 2.785 2.161 -10.069 1.00 1.00 N ATOM 1238 CA ASP A 77 2.092 1.167 -9.256 1.00 1.00 C ATOM 1239 C ASP A 77 1.525 1.804 -7.987 1.00 1.00 C ATOM 1240 O ASP A 77 0.367 1.580 -7.634 1.00 1.00 O ATOM 1241 CB ASP A 77 3.058 0.040 -8.876 1.00 1.00 C ATOM 1242 CG ASP A 77 3.418 -0.786 -10.107 1.00 1.00 C ATOM 1243 OD1 ASP A 77 2.746 -0.639 -11.115 1.00 1.00 O ATOM 1244 OD2 ASP A 77 4.360 -1.558 -10.022 1.00 1.00 O ATOM 0 H ASP A 77 3.788 2.005 -10.170 1.00 1.00 H new ATOM 0 HA ASP A 77 1.267 0.760 -9.841 1.00 1.00 H new ATOM 0 HB2 ASP A 77 3.962 0.460 -8.434 1.00 1.00 H new ATOM 0 HB3 ASP A 77 2.602 -0.600 -8.121 1.00 1.00 H new ATOM 1249 N VAL A 78 2.348 2.597 -7.306 1.00 1.00 N ATOM 1250 CA VAL A 78 1.916 3.254 -6.077 1.00 1.00 C ATOM 1251 C VAL A 78 0.794 4.246 -6.371 1.00 1.00 C ATOM 1252 O VAL A 78 -0.242 4.237 -5.704 1.00 1.00 O ATOM 1253 CB VAL A 78 3.103 3.976 -5.416 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.635 4.772 -4.193 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.155 2.954 -4.972 1.00 1.00 C ATOM 0 H VAL A 78 3.309 2.799 -7.581 1.00 1.00 H new ATOM 0 HA VAL A 78 1.539 2.496 -5.391 1.00 1.00 H new ATOM 0 HB VAL A 78 3.536 4.660 -6.146 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.488 5.276 -3.739 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.898 5.513 -4.502 1.00 1.00 H new ATOM 0 HG13 VAL A 78 2.186 4.094 -3.468 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.992 3.473 -4.505 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.711 2.263 -4.255 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.511 2.398 -5.839 1.00 1.00 H new ATOM 1265 N TRP A 79 0.995 5.102 -7.367 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.009 6.095 -7.730 1.00 1.00 C ATOM 1267 C TRP A 79 -1.314 5.406 -8.123 1.00 1.00 C ATOM 1268 O TRP A 79 -2.390 5.785 -7.661 1.00 1.00 O ATOM 1269 CB TRP A 79 0.516 6.977 -8.900 1.00 1.00 C ATOM 1270 CG TRP A 79 1.043 8.282 -8.385 1.00 1.00 C ATOM 1271 CD1 TRP A 79 2.340 8.566 -8.137 1.00 1.00 C ATOM 1272 CD2 TRP A 79 0.288 9.483 -8.058 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.432 9.868 -7.677 1.00 1.00 N ATOM 1274 CE2 TRP A 79 1.192 10.474 -7.612 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -1.080 9.803 -8.105 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 0.751 11.741 -7.227 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -1.527 11.075 -7.718 1.00 1.00 C ATOM 1278 CH2 TRP A 79 -0.615 12.042 -7.280 1.00 1.00 C ATOM 0 H TRP A 79 1.841 5.128 -7.936 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.203 6.735 -6.869 1.00 1.00 H new ATOM 0 HB2 TRP A 79 1.303 6.447 -9.436 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.288 7.160 -9.613 1.00 1.00 H new ATOM 0 HD1 TRP A 79 3.169 7.888 -8.275 1.00 1.00 H new ATOM 0 HE1 TRP A 79 3.307 10.324 -7.418 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -1.792 9.064 -8.442 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 1.459 12.484 -6.891 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -2.580 11.309 -7.758 1.00 1.00 H new ATOM 0 HH2 TRP A 79 -0.965 13.020 -6.983 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.228 4.391 -8.977 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.410 3.672 -9.417 1.00 1.00 C ATOM 1291 C ALA A 80 -3.129 3.041 -8.230 1.00 1.00 C ATOM 1292 O ALA A 80 -4.358 3.058 -8.162 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.004 2.584 -10.414 1.00 1.00 C ATOM 0 H ALA A 80 -0.353 4.051 -9.375 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.089 4.376 -9.898 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.891 2.044 -10.745 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.517 3.043 -11.274 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.314 1.890 -9.934 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.352 2.490 -7.302 1.00 1.00 N ATOM 1300 CA ALA A 81 -2.930 1.857 -6.123 1.00 1.00 C ATOM 1301 C ALA A 81 -3.725 2.862 -5.305 1.00 1.00 C ATOM 1302 O ALA A 81 -4.853 2.592 -4.892 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.821 1.259 -5.251 1.00 1.00 C ATOM 0 H ALA A 81 -1.333 2.469 -7.343 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.601 1.066 -6.458 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.263 0.788 -4.373 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.270 0.513 -5.824 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.140 2.050 -4.935 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.132 4.028 -5.073 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.786 5.069 -4.298 1.00 1.00 C ATOM 1311 C LYS A 82 -5.122 5.455 -4.939 1.00 1.00 C ATOM 1312 O LYS A 82 -6.110 5.692 -4.246 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.870 6.301 -4.208 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.303 7.229 -3.025 1.00 1.00 C ATOM 1315 CD LYS A 82 -3.212 8.699 -3.441 1.00 1.00 C ATOM 1316 CE LYS A 82 -3.669 9.594 -2.293 1.00 1.00 C ATOM 1317 NZ LYS A 82 -3.619 11.016 -2.732 1.00 1.00 N ATOM 0 H LYS A 82 -2.201 4.273 -5.411 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.981 4.691 -3.294 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.837 5.982 -4.067 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -2.907 6.857 -5.145 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.323 6.992 -2.723 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -2.665 7.049 -2.160 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -2.187 8.944 -3.719 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -3.832 8.876 -4.320 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -4.682 9.329 -1.991 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.028 9.446 -1.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -3.424 11.626 -1.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -2.866 11.135 -3.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -4.533 11.282 -3.152 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.145 5.510 -6.267 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.367 5.870 -6.983 1.00 1.00 C ATOM 1333 C ALA A 83 -7.521 4.972 -6.553 1.00 1.00 C ATOM 1334 O ALA A 83 -8.595 5.459 -6.202 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.143 5.733 -8.491 1.00 1.00 C ATOM 0 H ALA A 83 -4.342 5.313 -6.865 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.619 6.903 -6.745 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.057 6.002 -9.021 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.335 6.396 -8.801 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -5.877 4.703 -8.727 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.288 3.663 -6.582 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.315 2.703 -6.190 1.00 1.00 C ATOM 1343 C ASP A 84 -8.905 3.085 -4.832 1.00 1.00 C ATOM 1344 O ASP A 84 -10.117 3.008 -4.630 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.716 1.292 -6.116 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.361 0.797 -7.514 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.817 1.402 -8.471 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.642 -0.185 -7.608 1.00 1.00 O ATOM 0 H ASP A 84 -6.404 3.245 -6.871 1.00 1.00 H new ATOM 0 HA ASP A 84 -9.108 2.716 -6.938 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.825 1.300 -5.488 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.428 0.611 -5.651 1.00 1.00 H new ATOM 1353 N ALA A 85 -8.046 3.498 -3.906 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.497 3.891 -2.575 1.00 1.00 C ATOM 1355 C ALA A 85 -9.381 5.130 -2.654 1.00 1.00 C ATOM 1356 O ALA A 85 -10.391 5.233 -1.958 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.289 4.173 -1.675 1.00 1.00 C ATOM 0 H ALA A 85 -7.039 3.569 -4.051 1.00 1.00 H new ATOM 0 HA ALA A 85 -9.079 3.072 -2.151 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.634 4.466 -0.683 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.677 3.275 -1.595 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.695 4.980 -2.105 1.00 1.00 H new ATOM 1363 N LEU A 86 -8.991 6.071 -3.508 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.751 7.307 -3.678 1.00 1.00 C ATOM 1365 C LEU A 86 -11.057 7.034 -4.418 1.00 1.00 C ATOM 1366 O LEU A 86 -11.995 7.831 -4.354 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.910 8.322 -4.459 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.622 8.653 -3.681 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.726 9.540 -4.559 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -7.941 9.381 -2.356 1.00 1.00 C ATOM 0 H LEU A 86 -8.157 6.003 -4.091 1.00 1.00 H new ATOM 0 HA LEU A 86 -9.990 7.713 -2.695 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.658 7.919 -5.440 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.487 9.232 -4.627 1.00 1.00 H new ATOM 0 HG LEU A 86 -7.109 7.723 -3.437 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.811 9.781 -4.018 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.476 9.009 -5.477 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.255 10.461 -4.805 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -7.013 9.601 -1.829 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.467 10.312 -2.570 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.569 8.744 -1.733 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.107 5.903 -5.113 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.305 5.543 -5.863 1.00 1.00 C ATOM 1384 C ARG A 87 -13.454 5.182 -4.918 1.00 1.00 C ATOM 1385 O ARG A 87 -14.598 5.041 -5.349 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.999 4.368 -6.798 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.124 4.203 -7.825 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.744 3.130 -8.842 1.00 1.00 C ATOM 1389 NE ARG A 87 -12.710 1.820 -8.204 1.00 1.00 N ATOM 1390 CZ ARG A 87 -12.307 0.744 -8.872 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.929 0.853 -10.116 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -12.290 -0.421 -8.285 1.00 1.00 N ATOM 0 H ARG A 87 -10.344 5.228 -5.173 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.613 6.404 -6.457 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.052 4.538 -7.310 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.888 3.452 -6.218 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -14.051 3.928 -7.321 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.307 5.150 -8.333 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -13.463 3.125 -9.661 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.770 3.357 -9.274 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.000 1.728 -7.230 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.943 1.764 -10.575 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.620 0.028 -10.629 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -12.586 -0.507 -7.313 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -11.981 -1.246 -8.798 1.00 1.00 H new ATOM 1406 N TYR A 88 -13.130 5.030 -3.638 1.00 1.00 N ATOM 1407 CA TYR A 88 -14.125 4.678 -2.620 1.00 1.00 C ATOM 1408 C TYR A 88 -13.963 5.555 -1.387 1.00 1.00 C ATOM 1409 O TYR A 88 -13.942 5.064 -0.258 1.00 1.00 O ATOM 1410 CB TYR A 88 -13.972 3.204 -2.239 1.00 1.00 C ATOM 1411 CG TYR A 88 -14.240 2.345 -3.462 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -15.556 2.141 -3.903 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -13.174 1.755 -4.158 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -15.804 1.351 -5.035 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -13.423 0.966 -5.286 1.00 1.00 C ATOM 1416 CZ TYR A 88 -14.737 0.763 -5.724 1.00 1.00 C ATOM 1417 OH TYR A 88 -14.979 -0.015 -6.839 1.00 1.00 O ATOM 0 H TYR A 88 -12.183 5.145 -3.276 1.00 1.00 H new ATOM 0 HA TYR A 88 -15.121 4.843 -3.031 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -12.968 3.016 -1.860 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -14.667 2.948 -1.440 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.379 2.593 -3.370 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -12.159 1.910 -3.822 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -16.817 1.197 -5.375 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -12.601 0.513 -5.820 1.00 1.00 H new ATOM 0 HH TYR A 88 -15.790 0.302 -7.289 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.848 6.863 -1.591 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.690 7.825 -0.492 1.00 1.00 C ATOM 1429 C ILE A 89 -14.698 8.966 -0.633 1.00 1.00 C ATOM 1430 O ILE A 89 -14.971 9.441 -1.735 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.252 8.400 -0.493 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -11.946 9.041 0.872 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.094 9.466 -1.606 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.462 9.400 0.957 1.00 1.00 C ATOM 0 H ILE A 89 -13.861 7.291 -2.517 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.871 7.307 0.450 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.554 7.584 -0.681 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.554 9.935 1.008 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.209 8.352 1.674 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.077 9.859 -1.592 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.294 9.011 -2.576 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -12.800 10.279 -1.434 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.252 9.853 1.926 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.862 8.497 0.841 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.212 10.106 0.165 1.00 1.00 H new ATOM 1446 N GLU A 90 -15.253 9.411 0.489 1.00 1.00 N ATOM 1447 CA GLU A 90 -16.222 10.499 0.474 1.00 1.00 C ATOM 1448 C GLU A 90 -15.597 11.764 -0.116 1.00 1.00 C ATOM 1449 O GLU A 90 -14.590 12.273 0.377 1.00 1.00 O ATOM 1450 CB GLU A 90 -16.709 10.771 1.898 1.00 1.00 C ATOM 1451 CG GLU A 90 -17.558 9.589 2.380 1.00 1.00 C ATOM 1452 CD GLU A 90 -17.973 9.796 3.833 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -17.153 10.267 4.603 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -19.107 9.476 4.155 1.00 1.00 O ATOM 0 H GLU A 90 -15.049 9.037 1.416 1.00 1.00 H new ATOM 0 HA GLU A 90 -17.068 10.210 -0.149 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -15.858 10.917 2.563 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -17.296 11.689 1.924 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -18.443 9.488 1.752 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -16.992 8.662 2.284 1.00 1.00 H new ATOM 1461 N GLY A 91 -16.201 12.280 -1.181 1.00 1.00 N ATOM 1462 CA GLY A 91 -15.705 13.489 -1.838 1.00 1.00 C ATOM 1463 C GLY A 91 -16.708 13.990 -2.873 1.00 1.00 C ATOM 1464 O GLY A 91 -17.809 13.455 -2.995 1.00 1.00 O ATOM 0 H GLY A 91 -17.036 11.881 -1.610 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -15.524 14.265 -1.094 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -14.750 13.281 -2.321 1.00 1.00 H new ATOM 1468 N LYS A 92 -16.319 15.017 -3.621 1.00 1.00 N ATOM 1469 CA LYS A 92 -17.195 15.583 -4.651 1.00 1.00 C ATOM 1470 C LYS A 92 -17.046 14.812 -5.957 1.00 1.00 C ATOM 1471 O LYS A 92 -17.276 15.353 -7.038 1.00 1.00 O ATOM 1472 CB LYS A 92 -16.855 17.065 -4.877 1.00 1.00 C ATOM 1473 CG LYS A 92 -17.248 17.882 -3.640 1.00 1.00 C ATOM 1474 CD LYS A 92 -16.866 19.355 -3.835 1.00 1.00 C ATOM 1475 CE LYS A 92 -17.286 20.163 -2.604 1.00 1.00 C ATOM 1476 NZ LYS A 92 -16.908 21.590 -2.795 1.00 1.00 N ATOM 0 H LYS A 92 -15.411 15.474 -3.538 1.00 1.00 H new ATOM 0 HA LYS A 92 -18.228 15.502 -4.312 1.00 1.00 H new ATOM 0 HB2 LYS A 92 -15.789 17.177 -5.075 1.00 1.00 H new ATOM 0 HB3 LYS A 92 -17.383 17.439 -5.754 1.00 1.00 H new ATOM 0 HG2 LYS A 92 -18.320 17.797 -3.465 1.00 1.00 H new ATOM 0 HG3 LYS A 92 -16.748 17.483 -2.758 1.00 1.00 H new ATOM 0 HD2 LYS A 92 -15.791 19.445 -3.992 1.00 1.00 H new ATOM 0 HD3 LYS A 92 -17.352 19.752 -4.726 1.00 1.00 H new ATOM 0 HE2 LYS A 92 -18.362 20.078 -2.450 1.00 1.00 H new ATOM 0 HE3 LYS A 92 -16.803 19.764 -1.712 1.00 1.00 H new ATOM 0 HZ1 LYS A 92 -17.193 22.139 -1.959 1.00 1.00 H new ATOM 0 HZ2 LYS A 92 -15.878 21.662 -2.922 1.00 1.00 H new ATOM 0 HZ3 LYS A 92 -17.388 21.967 -3.637 1.00 1.00 H new ATOM 1490 N GLU A 93 -16.660 13.544 -5.851 1.00 1.00 N ATOM 1491 CA GLU A 93 -16.482 12.690 -7.026 1.00 1.00 C ATOM 1492 C GLU A 93 -15.510 13.322 -8.009 1.00 1.00 C ATOM 1493 O GLU A 93 -15.717 13.285 -9.222 1.00 1.00 O ATOM 1494 CB GLU A 93 -17.827 12.455 -7.717 1.00 1.00 C ATOM 1495 CG GLU A 93 -18.775 11.724 -6.764 1.00 1.00 C ATOM 1496 CD GLU A 93 -18.273 10.308 -6.493 1.00 1.00 C ATOM 1497 OE1 GLU A 93 -17.492 9.815 -7.291 1.00 1.00 O ATOM 1498 OE2 GLU A 93 -18.675 9.740 -5.493 1.00 1.00 O ATOM 0 H GLU A 93 -16.464 13.082 -4.963 1.00 1.00 H new ATOM 0 HA GLU A 93 -16.075 11.736 -6.693 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -18.263 13.407 -8.020 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -17.683 11.868 -8.624 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -18.853 12.274 -5.826 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -19.775 11.685 -7.195 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.443 13.908 -7.476 1.00 1.00 N ATOM 1506 CA VAL A 94 -13.424 14.555 -8.305 1.00 1.00 C ATOM 1507 C VAL A 94 -12.041 14.030 -7.942 1.00 1.00 C ATOM 1508 O VAL A 94 -11.181 13.914 -8.816 1.00 1.00 O ATOM 1509 CB VAL A 94 -13.470 16.074 -8.110 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -13.173 16.411 -6.646 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -12.424 16.741 -9.015 1.00 1.00 C ATOM 0 H VAL A 94 -14.258 13.950 -6.474 1.00 1.00 H new ATOM 0 HA VAL A 94 -13.628 14.325 -9.351 1.00 1.00 H new ATOM 0 HB VAL A 94 -14.462 16.443 -8.372 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -13.206 17.492 -6.508 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -13.919 15.940 -6.006 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -12.182 16.041 -6.381 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -12.458 17.821 -8.875 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -11.431 16.373 -8.756 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -12.639 16.503 -10.057 1.00 1.00 H new ATOM 1521 N GLU A 95 -11.819 13.713 -6.671 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.522 13.211 -6.242 1.00 1.00 C ATOM 1523 C GLU A 95 -10.130 11.974 -7.048 1.00 1.00 C ATOM 1524 O GLU A 95 -9.034 11.904 -7.606 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.567 12.860 -4.753 1.00 1.00 C ATOM 1526 CG GLU A 95 -10.722 14.136 -3.919 1.00 1.00 C ATOM 1527 CD GLU A 95 -10.818 13.783 -2.436 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -10.741 12.606 -2.118 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -10.967 14.694 -1.638 1.00 1.00 O ATOM 0 H GLU A 95 -12.513 13.794 -5.928 1.00 1.00 H new ATOM 0 HA GLU A 95 -9.778 13.989 -6.411 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.398 12.183 -4.555 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -9.655 12.337 -4.466 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -9.872 14.797 -4.090 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -11.615 14.678 -4.231 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.027 10.995 -7.108 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.753 9.769 -7.854 1.00 1.00 C ATOM 1538 C ALA A 96 -10.495 10.073 -9.330 1.00 1.00 C ATOM 1539 O ALA A 96 -9.691 9.401 -9.976 1.00 1.00 O ATOM 1540 CB ALA A 96 -11.938 8.807 -7.732 1.00 1.00 C ATOM 0 H ALA A 96 -11.940 11.024 -6.655 1.00 1.00 H new ATOM 0 HA ALA A 96 -9.860 9.308 -7.432 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -11.726 7.896 -8.291 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.100 8.560 -6.683 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -12.833 9.280 -8.135 1.00 1.00 H new ATOM 1546 N GLU A 97 -11.181 11.085 -9.852 1.00 1.00 N ATOM 1547 CA GLU A 97 -11.008 11.443 -11.259 1.00 1.00 C ATOM 1548 C GLU A 97 -9.585 11.937 -11.523 1.00 1.00 C ATOM 1549 O GLU A 97 -8.901 11.459 -12.428 1.00 1.00 O ATOM 1550 CB GLU A 97 -12.006 12.543 -11.648 1.00 1.00 C ATOM 1551 CG GLU A 97 -13.440 12.006 -11.608 1.00 1.00 C ATOM 1552 CD GLU A 97 -14.426 13.133 -11.910 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -13.982 14.263 -12.060 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -15.611 12.854 -11.996 1.00 1.00 O ATOM 0 H GLU A 97 -11.847 11.661 -9.338 1.00 1.00 H new ATOM 0 HA GLU A 97 -11.190 10.552 -11.860 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -11.909 13.388 -10.966 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.778 12.912 -12.648 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -13.557 11.203 -12.336 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -13.651 11.580 -10.627 1.00 1.00 H new ATOM 1561 N ILE A 98 -9.144 12.904 -10.726 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.797 13.455 -10.875 1.00 1.00 C ATOM 1563 C ILE A 98 -6.757 12.369 -10.641 1.00 1.00 C ATOM 1564 O ILE A 98 -5.775 12.280 -11.379 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.592 14.633 -9.880 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -8.145 15.943 -10.482 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -6.095 14.827 -9.544 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -9.572 15.748 -11.015 1.00 1.00 C ATOM 0 H ILE A 98 -9.693 13.322 -9.975 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.677 13.833 -11.890 1.00 1.00 H new ATOM 0 HB ILE A 98 -8.131 14.389 -8.964 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -8.141 16.726 -9.723 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -7.495 16.279 -11.290 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -5.983 15.657 -8.847 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.703 13.917 -9.090 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -5.542 15.044 -10.458 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.936 16.687 -11.433 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.569 14.982 -11.791 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -10.225 15.436 -10.200 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.965 11.548 -9.617 1.00 1.00 N ATOM 1581 CA ALA A 99 -6.011 10.499 -9.315 1.00 1.00 C ATOM 1582 C ALA A 99 -5.877 9.536 -10.484 1.00 1.00 C ATOM 1583 O ALA A 99 -4.774 9.303 -10.978 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.466 9.752 -8.066 1.00 1.00 C ATOM 0 H ALA A 99 -7.772 11.590 -8.995 1.00 1.00 H new ATOM 0 HA ALA A 99 -5.034 10.949 -9.137 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.752 8.962 -7.834 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.524 10.446 -7.228 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.448 9.313 -8.242 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.012 8.988 -10.906 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.007 8.051 -12.017 1.00 1.00 C ATOM 1592 C GLU A 100 -6.334 8.674 -13.239 1.00 1.00 C ATOM 1593 O GLU A 100 -5.603 7.993 -13.959 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.445 7.645 -12.369 1.00 1.00 C ATOM 1595 CG GLU A 100 -8.441 6.442 -13.332 1.00 1.00 C ATOM 1596 CD GLU A 100 -8.036 6.887 -14.735 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -8.484 7.942 -15.150 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -7.275 6.172 -15.367 1.00 1.00 O ATOM 0 H GLU A 100 -7.930 9.174 -10.502 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.445 7.165 -11.720 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -8.991 7.390 -11.461 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -8.965 8.485 -12.828 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -7.749 5.681 -12.971 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -9.431 5.986 -13.359 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.585 9.958 -13.466 1.00 1.00 N ATOM 1606 CA ALA A 101 -5.992 10.645 -14.611 1.00 1.00 C ATOM 1607 C ALA A 101 -4.497 10.850 -14.402 1.00 1.00 C ATOM 1608 O ALA A 101 -3.688 10.565 -15.287 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.679 11.995 -14.822 1.00 1.00 C ATOM 0 H ALA A 101 -7.186 10.539 -12.882 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.135 10.026 -15.497 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.231 12.501 -15.677 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.741 11.837 -15.009 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.555 12.610 -13.931 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.134 11.355 -13.229 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.730 11.604 -12.915 1.00 1.00 C ATOM 1617 C ARG A 102 -1.931 10.305 -12.955 1.00 1.00 C ATOM 1618 O ARG A 102 -0.796 10.278 -13.430 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.598 12.238 -11.516 1.00 1.00 C ATOM 1620 CG ARG A 102 -3.100 13.700 -11.519 1.00 1.00 C ATOM 1621 CD ARG A 102 -2.071 14.629 -12.186 1.00 1.00 C ATOM 1622 NE ARG A 102 -2.388 16.021 -11.904 1.00 1.00 N ATOM 1623 CZ ARG A 102 -1.850 17.003 -12.619 1.00 1.00 C ATOM 1624 NH1 ARG A 102 -1.030 16.717 -13.596 1.00 1.00 N ATOM 1625 NH2 ARG A 102 -2.140 18.244 -12.351 1.00 1.00 N ATOM 0 H ARG A 102 -4.786 11.599 -12.484 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.334 12.290 -13.664 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.170 11.655 -10.794 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -1.556 12.208 -11.197 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -4.050 13.762 -12.049 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -3.284 14.028 -10.496 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -1.071 14.396 -11.821 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -2.065 14.462 -13.263 1.00 1.00 H new ATOM 0 HE ARG A 102 -3.033 16.246 -11.146 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -0.806 15.744 -13.806 1.00 1.00 H new ATOM 0 HH12 ARG A 102 -0.614 17.467 -14.148 1.00 1.00 H new ATOM 0 HH21 ARG A 102 -2.782 18.465 -11.590 1.00 1.00 H new ATOM 0 HH22 ARG A 102 -1.725 18.995 -12.902 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.517 9.222 -12.455 1.00 1.00 N ATOM 1640 CA ALA A 103 -1.831 7.939 -12.441 1.00 1.00 C ATOM 1641 C ALA A 103 -1.423 7.517 -13.850 1.00 1.00 C ATOM 1642 O ALA A 103 -0.280 7.131 -14.087 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.752 6.881 -11.835 1.00 1.00 C ATOM 0 H ALA A 103 -3.456 9.208 -12.058 1.00 1.00 H new ATOM 0 HA ALA A 103 -0.927 8.037 -11.840 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.241 5.918 -11.823 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -3.013 7.166 -10.816 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -3.660 6.803 -12.433 1.00 1.00 H new ATOM 1649 N LYS A 104 -2.375 7.596 -14.775 1.00 1.00 N ATOM 1650 CA LYS A 104 -2.123 7.225 -16.165 1.00 1.00 C ATOM 1651 C LYS A 104 -1.282 8.293 -16.865 1.00 1.00 C ATOM 1652 O LYS A 104 -0.315 7.979 -17.557 1.00 1.00 O ATOM 1653 CB LYS A 104 -3.470 7.036 -16.898 1.00 1.00 C ATOM 1654 CG LYS A 104 -3.970 5.588 -16.756 1.00 1.00 C ATOM 1655 CD LYS A 104 -4.139 5.218 -15.278 1.00 1.00 C ATOM 1656 CE LYS A 104 -4.745 3.817 -15.177 1.00 1.00 C ATOM 1657 NZ LYS A 104 -6.142 3.846 -15.693 1.00 1.00 N ATOM 0 H LYS A 104 -3.326 7.913 -14.588 1.00 1.00 H new ATOM 0 HA LYS A 104 -1.565 6.289 -16.187 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -4.211 7.723 -16.490 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -3.353 7.283 -17.953 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.921 5.473 -17.276 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -3.264 4.906 -17.229 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -3.175 5.248 -14.771 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -4.783 5.943 -14.781 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -4.148 3.108 -15.751 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -4.735 3.478 -14.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -6.766 3.336 -15.035 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -6.460 4.832 -15.778 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -6.177 3.390 -16.627 1.00 1.00 H new ATOM 1671 N LEU A 105 -1.670 9.551 -16.681 1.00 1.00 N ATOM 1672 CA LEU A 105 -0.951 10.649 -17.310 1.00 1.00 C ATOM 1673 C LEU A 105 0.459 10.745 -16.739 1.00 1.00 C ATOM 1674 O LEU A 105 0.686 11.378 -15.707 1.00 1.00 O ATOM 1675 CB LEU A 105 -1.717 11.970 -17.086 1.00 1.00 C ATOM 1676 CG LEU A 105 -1.330 13.015 -18.150 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -2.195 14.266 -17.954 1.00 1.00 C ATOM 1678 CD2 LEU A 105 0.163 13.385 -18.033 1.00 1.00 C ATOM 0 H LEU A 105 -2.467 9.831 -16.110 1.00 1.00 H new ATOM 0 HA LEU A 105 -0.877 10.464 -18.382 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -2.790 11.784 -17.126 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -1.497 12.359 -16.092 1.00 1.00 H new ATOM 0 HG LEU A 105 -1.499 12.596 -19.142 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -1.929 15.013 -18.702 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -3.247 14.002 -18.063 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -2.024 14.674 -16.958 1.00 1.00 H new ATOM 0 HD21 LEU A 105 0.415 14.124 -18.793 1.00 1.00 H new ATOM 0 HD22 LEU A 105 0.359 13.800 -17.044 1.00 1.00 H new ATOM 0 HD23 LEU A 105 0.772 12.492 -18.179 1.00 1.00 H new ATOM 1690 N GLU A 106 1.411 10.106 -17.413 1.00 1.00 N ATOM 1691 CA GLU A 106 2.809 10.112 -16.977 1.00 1.00 C ATOM 1692 C GLU A 106 3.736 10.298 -18.167 1.00 1.00 C ATOM 1693 O GLU A 106 4.621 11.153 -18.144 1.00 1.00 O ATOM 1694 CB GLU A 106 3.137 8.794 -16.262 1.00 1.00 C ATOM 1695 CG GLU A 106 2.333 8.684 -14.963 1.00 1.00 C ATOM 1696 CD GLU A 106 2.776 9.763 -13.976 1.00 1.00 C ATOM 1697 OE1 GLU A 106 3.885 10.252 -14.129 1.00 1.00 O ATOM 1698 OE2 GLU A 106 2.006 10.081 -13.087 1.00 1.00 O ATOM 0 H GLU A 106 1.241 9.575 -18.267 1.00 1.00 H new ATOM 0 HA GLU A 106 2.956 10.943 -16.287 1.00 1.00 H new ATOM 0 HB2 GLU A 106 2.907 7.951 -16.914 1.00 1.00 H new ATOM 0 HB3 GLU A 106 4.204 8.746 -16.043 1.00 1.00 H new ATOM 0 HG2 GLU A 106 1.269 8.789 -15.175 1.00 1.00 H new ATOM 0 HG3 GLU A 106 2.474 7.697 -14.522 1.00 1.00 H new ATOM 1705 N HIS A 107 3.542 9.502 -19.213 1.00 1.00 N ATOM 1706 CA HIS A 107 4.367 9.592 -20.412 1.00 1.00 C ATOM 1707 C HIS A 107 3.685 8.876 -21.575 1.00 1.00 C ATOM 1708 O HIS A 107 2.543 8.433 -21.462 1.00 1.00 O ATOM 1709 CB HIS A 107 5.750 8.984 -20.152 1.00 1.00 C ATOM 1710 CG HIS A 107 5.632 7.503 -19.902 1.00 1.00 C ATOM 1711 ND1 HIS A 107 4.410 6.848 -19.886 1.00 1.00 N ATOM 1712 CD2 HIS A 107 6.578 6.535 -19.660 1.00 1.00 C ATOM 1713 CE1 HIS A 107 4.651 5.546 -19.640 1.00 1.00 C ATOM 1714 NE2 HIS A 107 5.956 5.301 -19.496 1.00 1.00 N ATOM 0 H HIS A 107 2.818 8.785 -19.254 1.00 1.00 H new ATOM 0 HA HIS A 107 4.492 10.643 -20.673 1.00 1.00 H new ATOM 0 HB2 HIS A 107 6.401 9.164 -21.008 1.00 1.00 H new ATOM 0 HB3 HIS A 107 6.212 9.469 -19.292 1.00 1.00 H new ATOM 0 HD2 HIS A 107 7.643 6.706 -19.605 1.00 1.00 H new ATOM 0 HE1 HIS A 107 3.882 4.791 -19.568 1.00 1.00 H new ATOM 0 HE2 HIS A 107 6.401 4.403 -19.307 1.00 1.00 H new ATOM 1723 N HIS A 108 4.387 8.761 -22.698 1.00 1.00 N ATOM 1724 CA HIS A 108 3.833 8.096 -23.870 1.00 1.00 C ATOM 1725 C HIS A 108 3.768 6.591 -23.637 1.00 1.00 C ATOM 1726 O HIS A 108 4.716 5.988 -23.134 1.00 1.00 O ATOM 1727 CB HIS A 108 4.707 8.386 -25.093 1.00 1.00 C ATOM 1728 CG HIS A 108 4.692 9.863 -25.381 1.00 1.00 C ATOM 1729 ND1 HIS A 108 5.646 10.726 -24.864 1.00 1.00 N ATOM 1730 CD2 HIS A 108 3.844 10.643 -26.127 1.00 1.00 C ATOM 1731 CE1 HIS A 108 5.351 11.964 -25.304 1.00 1.00 C ATOM 1732 NE2 HIS A 108 4.262 11.969 -26.076 1.00 1.00 N ATOM 0 H HIS A 108 5.335 9.118 -22.820 1.00 1.00 H new ATOM 0 HA HIS A 108 2.826 8.474 -24.046 1.00 1.00 H new ATOM 0 HB2 HIS A 108 5.728 8.050 -24.912 1.00 1.00 H new ATOM 0 HB3 HIS A 108 4.338 7.832 -25.956 1.00 1.00 H new ATOM 0 HD2 HIS A 108 2.983 10.282 -26.671 1.00 1.00 H new ATOM 0 HE1 HIS A 108 5.926 12.846 -25.062 1.00 1.00 H new ATOM 0 HE2 HIS A 108 3.829 12.773 -26.531 1.00 1.00 H new ATOM 1741 N HIS A 109 2.642 5.984 -24.000 1.00 1.00 N ATOM 1742 CA HIS A 109 2.456 4.545 -23.828 1.00 1.00 C ATOM 1743 C HIS A 109 1.410 4.016 -24.801 1.00 1.00 C ATOM 1744 O HIS A 109 1.677 3.096 -25.574 1.00 1.00 O ATOM 1745 CB HIS A 109 2.020 4.240 -22.392 1.00 1.00 C ATOM 1746 CG HIS A 109 1.955 2.750 -22.195 1.00 1.00 C ATOM 1747 ND1 HIS A 109 0.841 2.005 -22.553 1.00 1.00 N ATOM 1748 CD2 HIS A 109 2.859 1.851 -21.684 1.00 1.00 C ATOM 1749 CE1 HIS A 109 1.100 0.719 -22.256 1.00 1.00 C ATOM 1750 NE2 HIS A 109 2.316 0.569 -21.723 1.00 1.00 N ATOM 0 H HIS A 109 1.844 6.465 -24.415 1.00 1.00 H new ATOM 0 HA HIS A 109 3.406 4.051 -24.032 1.00 1.00 H new ATOM 0 HB2 HIS A 109 2.723 4.681 -21.685 1.00 1.00 H new ATOM 0 HB3 HIS A 109 1.046 4.687 -22.193 1.00 1.00 H new ATOM 0 HD2 HIS A 109 3.841 2.100 -21.309 1.00 1.00 H new ATOM 0 HE1 HIS A 109 0.409 -0.093 -22.427 1.00 1.00 H new ATOM 0 HE2 HIS A 109 2.753 -0.298 -21.411 1.00 1.00 H new ATOM 1759 N HIS A 110 0.217 4.602 -24.762 1.00 1.00 N ATOM 1760 CA HIS A 110 -0.862 4.177 -25.648 1.00 1.00 C ATOM 1761 C HIS A 110 -0.627 4.698 -27.063 1.00 1.00 C ATOM 1762 O HIS A 110 -0.413 5.892 -27.267 1.00 1.00 O ATOM 1763 CB HIS A 110 -2.202 4.704 -25.123 1.00 1.00 C ATOM 1764 CG HIS A 110 -3.325 4.116 -25.932 1.00 1.00 C ATOM 1765 ND1 HIS A 110 -3.741 4.672 -27.131 1.00 1.00 N ATOM 1766 CD2 HIS A 110 -4.126 3.019 -25.729 1.00 1.00 C ATOM 1767 CE1 HIS A 110 -4.752 3.917 -27.600 1.00 1.00 C ATOM 1768 NE2 HIS A 110 -5.026 2.896 -26.783 1.00 1.00 N ATOM 0 H HIS A 110 -0.026 5.366 -24.132 1.00 1.00 H new ATOM 0 HA HIS A 110 -0.883 3.087 -25.673 1.00 1.00 H new ATOM 0 HB2 HIS A 110 -2.321 4.442 -24.072 1.00 1.00 H new ATOM 0 HB3 HIS A 110 -2.226 5.792 -25.185 1.00 1.00 H new ATOM 0 HD2 HIS A 110 -4.066 2.353 -24.881 1.00 1.00 H new ATOM 0 HE1 HIS A 110 -5.277 4.113 -28.523 1.00 1.00 H new ATOM 0 HE2 HIS A 110 -5.742 2.180 -26.906 1.00 1.00 H new ATOM 1777 N HIS A 111 -0.670 3.789 -28.032 1.00 1.00 N ATOM 1778 CA HIS A 111 -0.459 4.159 -29.429 1.00 1.00 C ATOM 1779 C HIS A 111 -1.685 4.876 -29.984 1.00 1.00 C ATOM 1780 O HIS A 111 -2.821 4.456 -29.759 1.00 1.00 O ATOM 1781 CB HIS A 111 -0.176 2.906 -30.264 1.00 1.00 C ATOM 1782 CG HIS A 111 1.127 2.295 -29.827 1.00 1.00 C ATOM 1783 ND1 HIS A 111 1.193 1.314 -28.849 1.00 1.00 N ATOM 1784 CD2 HIS A 111 2.423 2.513 -30.226 1.00 1.00 C ATOM 1785 CE1 HIS A 111 2.487 0.982 -28.693 1.00 1.00 C ATOM 1786 NE2 HIS A 111 3.280 1.683 -29.509 1.00 1.00 N ATOM 0 H HIS A 111 -0.848 2.796 -27.878 1.00 1.00 H new ATOM 0 HA HIS A 111 0.397 4.832 -29.482 1.00 1.00 H new ATOM 0 HB2 HIS A 111 -0.986 2.186 -30.144 1.00 1.00 H new ATOM 0 HB3 HIS A 111 -0.132 3.164 -31.322 1.00 1.00 H new ATOM 0 HD2 HIS A 111 2.730 3.221 -30.981 1.00 1.00 H new ATOM 0 HE1 HIS A 111 2.842 0.239 -27.994 1.00 1.00 H new ATOM 0 HE2 HIS A 111 4.295 1.623 -29.589 1.00 1.00 H new ATOM 1795 N HIS A 112 -1.447 5.960 -30.715 1.00 1.00 N ATOM 1796 CA HIS A 112 -2.539 6.730 -31.298 1.00 1.00 C ATOM 1797 C HIS A 112 -3.302 5.886 -32.317 1.00 1.00 C ATOM 1798 O HIS A 112 -2.977 5.972 -33.489 1.00 1.00 O ATOM 1799 CB HIS A 112 -1.986 7.985 -31.977 1.00 1.00 C ATOM 1800 CG HIS A 112 -3.121 8.789 -32.552 1.00 1.00 C ATOM 1801 ND1 HIS A 112 -3.978 9.532 -31.756 1.00 1.00 N ATOM 1802 CD2 HIS A 112 -3.552 8.973 -33.843 1.00 1.00 C ATOM 1803 CE1 HIS A 112 -4.874 10.125 -32.568 1.00 1.00 C ATOM 1804 NE2 HIS A 112 -4.658 9.817 -33.849 1.00 1.00 N ATOM 1805 OXT HIS A 112 -4.203 5.171 -31.909 1.00 1.00 O ATOM 0 H HIS A 112 -0.515 6.323 -30.917 1.00 1.00 H new ATOM 0 HA HIS A 112 -3.223 7.022 -30.501 1.00 1.00 H new ATOM 0 HB2 HIS A 112 -1.430 8.585 -31.257 1.00 1.00 H new ATOM 0 HB3 HIS A 112 -1.288 7.706 -32.766 1.00 1.00 H new ATOM 0 HD2 HIS A 112 -3.101 8.530 -34.719 1.00 1.00 H new ATOM 0 HE1 HIS A 112 -5.669 10.770 -32.225 1.00 1.00 H new ATOM 0 HE2 HIS A 112 -5.190 10.133 -34.660 1.00 1.00 H new TER 1814 HIS A 112