USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -0.221 K(o=-0.046,f=-1.5!) USER MOD Set 1.2: A 96 THR OG1 : rot 164:sc= 0.175 USER MOD Set 2.1: A 73 SER OG : rot -129:sc= 0.726 USER MOD Set 2.2: A 82 HIS : no HE2:sc= -0.158 K(o=0.57,f=-8!) USER MOD Set 3.1: A 30 SER OG : rot 37:sc= 0.019 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 146:sc= 0.0161 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.908 K(o=-0.91,f=0.097) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 112:sc= 0.348 USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.988 USER MOD Single : A 33 TYR OH : rot -114:sc= 0.546 USER MOD Single : A 34 SER OG : rot 9:sc= 0.153 USER MOD Single : A 36 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -8.15! C(o=-8.2!,f=-7.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -1:sc= -3.29! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -36:sc= 1.05 USER MOD Single : A 56 SER OG : rot 180:sc= 0.141 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4.1!) USER MOD Single : A 68 SER OG : rot 25:sc= 0.815! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 76 SER OG : rot 55:sc= 1.23 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.05) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 0:sc= -2.09! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= 1.92 USER MOD Single : A 97 TYR OH : rot -109:sc= -3.2 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -7.29! C(o=-7.3!,f=-15!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -98:sc= -5.86! USER MOD Single : A 114 SER OG : rot -7:sc= -3.25! USER MOD Single : A 119 SER OG : rot -159:sc= -1.25 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -33.286 3.968 2.353 1.00 0.00 N ATOM 2 CA ARG A 7 -32.591 2.696 2.510 1.00 0.00 C ATOM 3 C ARG A 7 -31.162 2.790 1.987 1.00 0.00 C ATOM 4 O ARG A 7 -30.934 3.151 0.833 1.00 0.00 O ATOM 5 CB ARG A 7 -33.346 1.587 1.774 1.00 0.00 C ATOM 6 CG ARG A 7 -34.783 1.420 2.238 1.00 0.00 C ATOM 7 CD ARG A 7 -35.016 0.048 2.852 1.00 0.00 C ATOM 8 NE ARG A 7 -33.979 -0.304 3.818 1.00 0.00 N ATOM 9 CZ ARG A 7 -34.075 -1.326 4.662 1.00 0.00 C ATOM 10 NH1 ARG A 7 -35.158 -2.091 4.657 1.00 0.00 N ATOM 11 NH2 ARG A 7 -33.090 -1.584 5.511 1.00 0.00 N ATOM 0 HA ARG A 7 -32.554 2.457 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -33.340 1.802 0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.816 0.644 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -35.022 2.192 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.458 1.561 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.989 0.031 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.045 -0.702 2.062 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.134 0.266 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -35.918 -1.895 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.231 -2.875 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -32.256 -0.997 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -33.167 -2.369 6.158 1.00 0.00 H new ATOM 25 N ARG A 8 -30.203 2.468 2.848 1.00 0.00 N ATOM 26 CA ARG A 8 -28.795 2.509 2.475 1.00 0.00 C ATOM 27 C ARG A 8 -28.411 1.268 1.679 1.00 0.00 C ATOM 28 O ARG A 8 -29.272 0.495 1.257 1.00 0.00 O ATOM 29 CB ARG A 8 -27.920 2.621 3.725 1.00 0.00 C ATOM 30 CG ARG A 8 -28.526 3.495 4.811 1.00 0.00 C ATOM 31 CD ARG A 8 -27.570 3.681 5.976 1.00 0.00 C ATOM 32 NE ARG A 8 -27.793 2.694 7.029 1.00 0.00 N ATOM 33 CZ ARG A 8 -27.037 2.596 8.117 1.00 0.00 C ATOM 34 NH1 ARG A 8 -26.013 3.420 8.292 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.303 1.673 9.031 1.00 0.00 N ATOM 0 H ARG A 8 -30.376 2.176 3.810 1.00 0.00 H new ATOM 0 HA ARG A 8 -28.633 3.386 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.745 1.623 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -26.948 3.026 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -28.786 4.468 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.452 3.044 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.543 3.604 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.690 4.683 6.387 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.572 2.044 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.805 4.131 7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -25.434 3.343 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.089 1.037 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.721 1.599 9.866 1.00 0.00 H new ATOM 49 N CYS A 9 -27.113 1.083 1.479 1.00 0.00 N ATOM 50 CA CYS A 9 -26.607 -0.061 0.736 1.00 0.00 C ATOM 51 C CYS A 9 -26.354 -1.244 1.667 1.00 0.00 C ATOM 52 O CYS A 9 -26.252 -1.077 2.882 1.00 0.00 O ATOM 53 CB CYS A 9 -25.314 0.320 0.020 1.00 0.00 C ATOM 54 SG CYS A 9 -25.565 1.223 -1.542 1.00 0.00 S ATOM 0 H CYS A 9 -26.389 1.714 1.823 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.357 -0.355 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -24.709 0.933 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -24.744 -0.586 -0.185 1.00 0.00 H new ATOM 59 N PRO A 10 -26.245 -2.459 1.106 1.00 0.00 N ATOM 60 CA PRO A 10 -25.994 -3.668 1.894 1.00 0.00 C ATOM 61 C PRO A 10 -24.586 -3.686 2.479 1.00 0.00 C ATOM 62 O PRO A 10 -23.752 -2.850 2.135 1.00 0.00 O ATOM 63 CB PRO A 10 -26.178 -4.801 0.886 1.00 0.00 C ATOM 64 CG PRO A 10 -25.896 -4.180 -0.435 1.00 0.00 C ATOM 65 CD PRO A 10 -26.351 -2.750 -0.334 1.00 0.00 C ATOM 0 HA PRO A 10 -26.660 -3.744 2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.496 -5.627 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.189 -5.206 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.833 -4.234 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.427 -4.702 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.722 -2.085 -0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.372 -2.627 -0.695 1.00 0.00 H new ATOM 73 N SER A 11 -24.331 -4.637 3.370 1.00 0.00 N ATOM 74 CA SER A 11 -23.028 -4.752 4.017 1.00 0.00 C ATOM 75 C SER A 11 -21.903 -4.836 2.985 1.00 0.00 C ATOM 76 O SER A 11 -21.718 -5.873 2.347 1.00 0.00 O ATOM 77 CB SER A 11 -22.995 -5.988 4.918 1.00 0.00 C ATOM 78 OG SER A 11 -21.669 -6.297 5.311 1.00 0.00 O ATOM 0 H SER A 11 -25.010 -5.341 3.662 1.00 0.00 H new ATOM 0 HA SER A 11 -22.873 -3.858 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.608 -5.814 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 11 -23.429 -6.838 4.391 1.00 0.00 H new ATOM 0 HG SER A 11 -21.675 -7.090 5.887 1.00 0.00 H new ATOM 84 N PRO A 12 -21.118 -3.754 2.816 1.00 0.00 N ATOM 85 CA PRO A 12 -20.023 -3.733 1.852 1.00 0.00 C ATOM 86 C PRO A 12 -19.161 -4.987 1.938 1.00 0.00 C ATOM 87 O PRO A 12 -19.078 -5.624 2.987 1.00 0.00 O ATOM 88 CB PRO A 12 -19.196 -2.499 2.229 1.00 0.00 C ATOM 89 CG PRO A 12 -19.930 -1.793 3.327 1.00 0.00 C ATOM 90 CD PRO A 12 -21.259 -2.473 3.520 1.00 0.00 C ATOM 0 HA PRO A 12 -20.399 -3.699 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.199 -2.790 2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.069 -1.843 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.351 -1.822 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.074 -0.743 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.479 -2.622 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.073 -1.879 3.105 1.00 0.00 H new ATOM 98 N ARG A 13 -18.525 -5.339 0.825 1.00 0.00 N ATOM 99 CA ARG A 13 -17.650 -6.498 0.783 1.00 0.00 C ATOM 100 C ARG A 13 -16.411 -6.246 1.615 1.00 0.00 C ATOM 101 O ARG A 13 -16.108 -5.107 1.957 1.00 0.00 O ATOM 102 CB ARG A 13 -17.261 -6.813 -0.660 1.00 0.00 C ATOM 103 CG ARG A 13 -18.007 -7.997 -1.251 1.00 0.00 C ATOM 104 CD ARG A 13 -17.125 -8.772 -2.212 1.00 0.00 C ATOM 105 NE ARG A 13 -17.897 -9.660 -3.078 1.00 0.00 N ATOM 106 CZ ARG A 13 -18.484 -9.268 -4.206 1.00 0.00 C ATOM 107 NH1 ARG A 13 -18.393 -8.007 -4.605 1.00 0.00 N ATOM 108 NH2 ARG A 13 -19.165 -10.141 -4.937 1.00 0.00 N ATOM 0 H ARG A 13 -18.601 -4.836 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.182 -7.355 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -17.447 -5.934 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.190 -7.012 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.344 -8.655 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.898 -7.646 -1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.557 -8.072 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.402 -9.359 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.992 -10.637 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.871 -7.332 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.845 -7.712 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -19.238 -11.112 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.615 -9.841 -5.802 1.00 0.00 H new ATOM 122 N ASP A 14 -15.699 -7.309 1.941 1.00 0.00 N ATOM 123 CA ASP A 14 -14.547 -7.205 2.795 1.00 0.00 C ATOM 124 C ASP A 14 -13.252 -7.506 2.051 1.00 0.00 C ATOM 125 O ASP A 14 -13.258 -7.808 0.857 1.00 0.00 O ATOM 126 CB ASP A 14 -14.731 -8.170 3.955 1.00 0.00 C ATOM 127 CG ASP A 14 -14.559 -9.623 3.550 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.581 -10.327 3.418 1.00 0.00 O ATOM 129 OD2 ASP A 14 -13.401 -10.055 3.365 1.00 0.00 O ATOM 0 H ASP A 14 -15.906 -8.255 1.622 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.465 -6.180 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.012 -7.929 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.725 -8.032 4.381 1.00 0.00 H new ATOM 134 N ILE A 15 -12.146 -7.424 2.777 1.00 0.00 N ATOM 135 CA ILE A 15 -10.831 -7.696 2.213 1.00 0.00 C ATOM 136 C ILE A 15 -10.050 -8.646 3.117 1.00 0.00 C ATOM 137 O ILE A 15 -10.290 -8.704 4.323 1.00 0.00 O ATOM 138 CB ILE A 15 -10.027 -6.398 2.006 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.645 -6.708 1.430 1.00 0.00 C ATOM 140 CG2 ILE A 15 -9.902 -5.637 3.314 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.057 -5.566 0.633 1.00 0.00 C ATOM 0 H ILE A 15 -12.134 -7.169 3.765 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.981 -8.164 1.240 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.562 -5.771 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.967 -6.959 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.715 -7.589 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.331 -4.723 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.895 -5.383 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.389 -6.258 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.076 -5.854 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.715 -5.330 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.955 -4.690 1.273 1.00 0.00 H new ATOM 153 N ASP A 16 -9.137 -9.409 2.527 1.00 0.00 N ATOM 154 CA ASP A 16 -8.363 -10.392 3.278 1.00 0.00 C ATOM 155 C ASP A 16 -7.202 -9.751 4.031 1.00 0.00 C ATOM 156 O ASP A 16 -7.130 -9.825 5.258 1.00 0.00 O ATOM 157 CB ASP A 16 -7.832 -11.473 2.335 1.00 0.00 C ATOM 158 CG ASP A 16 -7.459 -12.747 3.066 1.00 0.00 C ATOM 159 OD1 ASP A 16 -6.435 -12.743 3.782 1.00 0.00 O ATOM 160 OD2 ASP A 16 -8.190 -13.750 2.923 1.00 0.00 O ATOM 0 H ASP A 16 -8.914 -9.367 1.532 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.031 -10.839 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.588 -11.698 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.958 -11.092 1.806 1.00 0.00 H new ATOM 165 N ASN A 17 -6.276 -9.156 3.289 1.00 0.00 N ATOM 166 CA ASN A 17 -5.097 -8.536 3.889 1.00 0.00 C ATOM 167 C ASN A 17 -5.324 -7.048 4.118 1.00 0.00 C ATOM 168 O ASN A 17 -4.384 -6.254 4.075 1.00 0.00 O ATOM 169 CB ASN A 17 -3.860 -8.738 3.001 1.00 0.00 C ATOM 170 CG ASN A 17 -3.928 -10.006 2.170 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.336 -11.026 2.520 1.00 0.00 O ATOM 172 ND2 ASN A 17 -4.662 -9.946 1.065 1.00 0.00 N ATOM 0 H ASN A 17 -6.317 -9.089 2.272 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.924 -9.019 4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.752 -7.880 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.970 -8.769 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.752 -10.768 0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.136 -9.078 0.814 1.00 0.00 H new ATOM 179 N GLY A 18 -6.572 -6.675 4.377 1.00 0.00 N ATOM 180 CA GLY A 18 -6.884 -5.276 4.600 1.00 0.00 C ATOM 181 C GLY A 18 -8.073 -5.060 5.519 1.00 0.00 C ATOM 182 O GLY A 18 -8.666 -6.014 6.023 1.00 0.00 O ATOM 0 H GLY A 18 -7.368 -7.311 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.011 -4.781 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.085 -4.799 3.641 1.00 0.00 H new ATOM 186 N GLN A 19 -8.399 -3.791 5.754 1.00 0.00 N ATOM 187 CA GLN A 19 -9.528 -3.416 6.601 1.00 0.00 C ATOM 188 C GLN A 19 -10.273 -2.237 5.982 1.00 0.00 C ATOM 189 O GLN A 19 -9.654 -1.276 5.523 1.00 0.00 O ATOM 190 CB GLN A 19 -9.056 -3.042 8.013 1.00 0.00 C ATOM 191 CG GLN A 19 -7.759 -3.714 8.439 1.00 0.00 C ATOM 192 CD GLN A 19 -7.758 -4.103 9.905 1.00 0.00 C ATOM 193 OE1 GLN A 19 -7.614 -3.254 10.785 1.00 0.00 O ATOM 194 NE2 GLN A 19 -7.922 -5.393 10.175 1.00 0.00 N ATOM 0 H GLN A 19 -7.890 -2.997 5.365 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.197 -4.274 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.926 -1.961 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.838 -3.303 8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.598 -4.604 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.924 -3.040 8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.038 -6.063 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.932 -5.714 11.143 1.00 0.00 H new ATOM 203 N LEU A 20 -11.599 -2.311 5.963 1.00 0.00 N ATOM 204 CA LEU A 20 -12.407 -1.250 5.373 1.00 0.00 C ATOM 205 C LEU A 20 -12.558 -0.063 6.316 1.00 0.00 C ATOM 206 O LEU A 20 -12.345 -0.176 7.523 1.00 0.00 O ATOM 207 CB LEU A 20 -13.793 -1.767 5.003 1.00 0.00 C ATOM 208 CG LEU A 20 -13.846 -3.204 4.494 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.187 -3.470 3.839 1.00 0.00 C ATOM 210 CD2 LEU A 20 -12.716 -3.472 3.515 1.00 0.00 C ATOM 0 H LEU A 20 -12.135 -3.089 6.347 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.885 -0.919 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.437 -1.687 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.213 -1.114 4.238 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.725 -3.878 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.218 -4.498 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.984 -3.317 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.325 -2.787 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.774 -4.503 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.803 -2.795 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.759 -3.311 4.011 1.00 0.00 H new ATOM 222 N ASP A 21 -12.970 1.064 5.749 1.00 0.00 N ATOM 223 CA ASP A 21 -13.219 2.275 6.519 1.00 0.00 C ATOM 224 C ASP A 21 -14.578 2.853 6.138 1.00 0.00 C ATOM 225 O ASP A 21 -14.664 3.793 5.348 1.00 0.00 O ATOM 226 CB ASP A 21 -12.117 3.306 6.269 1.00 0.00 C ATOM 227 CG ASP A 21 -11.864 4.188 7.477 1.00 0.00 C ATOM 228 OD1 ASP A 21 -10.695 4.566 7.702 1.00 0.00 O ATOM 229 OD2 ASP A 21 -12.835 4.499 8.198 1.00 0.00 O ATOM 0 H ASP A 21 -13.140 1.164 4.748 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.219 2.025 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.195 2.790 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.393 3.930 5.419 1.00 0.00 H new ATOM 234 N ILE A 22 -15.639 2.247 6.666 1.00 0.00 N ATOM 235 CA ILE A 22 -17.000 2.659 6.339 1.00 0.00 C ATOM 236 C ILE A 22 -17.340 4.023 6.925 1.00 0.00 C ATOM 237 O ILE A 22 -17.610 4.153 8.119 1.00 0.00 O ATOM 238 CB ILE A 22 -18.039 1.624 6.822 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.740 0.249 6.218 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.448 2.070 6.452 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.647 -0.848 6.730 1.00 0.00 C ATOM 0 H ILE A 22 -15.581 1.468 7.322 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.043 2.726 5.252 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.974 1.550 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.834 0.310 5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.705 -0.016 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.167 1.329 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -19.661 3.030 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.525 2.170 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.377 -1.793 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.536 -0.937 7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.682 -0.606 6.490 1.00 0.00 H new ATOM 253 N GLY A 23 -17.356 5.031 6.060 1.00 0.00 N ATOM 254 CA GLY A 23 -17.722 6.370 6.478 1.00 0.00 C ATOM 255 C GLY A 23 -19.064 6.785 5.904 1.00 0.00 C ATOM 256 O GLY A 23 -19.355 7.974 5.774 1.00 0.00 O ATOM 0 H GLY A 23 -17.120 4.943 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.761 6.414 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.955 7.075 6.158 1.00 0.00 H new ATOM 260 N GLY A 24 -19.876 5.792 5.547 1.00 0.00 N ATOM 261 CA GLY A 24 -21.179 6.055 4.967 1.00 0.00 C ATOM 262 C GLY A 24 -21.640 4.912 4.082 1.00 0.00 C ATOM 263 O GLY A 24 -20.890 4.447 3.224 1.00 0.00 O ATOM 0 H GLY A 24 -19.650 4.803 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -21.906 6.215 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -21.139 6.974 4.383 1.00 0.00 H new ATOM 267 N VAL A 25 -22.864 4.443 4.302 1.00 0.00 N ATOM 268 CA VAL A 25 -23.399 3.326 3.529 1.00 0.00 C ATOM 269 C VAL A 25 -24.685 3.694 2.786 1.00 0.00 C ATOM 270 O VAL A 25 -25.262 2.859 2.090 1.00 0.00 O ATOM 271 CB VAL A 25 -23.671 2.100 4.423 1.00 0.00 C ATOM 272 CG1 VAL A 25 -22.407 1.270 4.585 1.00 0.00 C ATOM 273 CG2 VAL A 25 -24.213 2.527 5.780 1.00 0.00 C ATOM 0 H VAL A 25 -23.502 4.816 5.005 1.00 0.00 H new ATOM 0 HA VAL A 25 -22.633 3.078 2.794 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.428 1.484 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -22.616 0.408 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.069 0.927 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -21.629 1.879 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -24.397 1.644 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -23.485 3.168 6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -25.146 3.075 5.643 1.00 0.00 H new ATOM 283 N ASP A 26 -25.125 4.944 2.917 1.00 0.00 N ATOM 284 CA ASP A 26 -26.336 5.396 2.241 1.00 0.00 C ATOM 285 C ASP A 26 -26.088 5.589 0.750 1.00 0.00 C ATOM 286 O ASP A 26 -24.943 5.687 0.308 1.00 0.00 O ATOM 287 CB ASP A 26 -26.832 6.702 2.858 1.00 0.00 C ATOM 288 CG ASP A 26 -28.278 6.999 2.511 1.00 0.00 C ATOM 289 OD1 ASP A 26 -28.878 6.217 1.745 1.00 0.00 O ATOM 290 OD2 ASP A 26 -28.812 8.011 3.013 1.00 0.00 O ATOM 0 H ASP A 26 -24.663 5.657 3.482 1.00 0.00 H new ATOM 0 HA ASP A 26 -27.099 4.628 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -26.725 6.651 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -26.204 7.524 2.514 1.00 0.00 H new ATOM 295 N PHE A 27 -27.168 5.639 -0.020 1.00 0.00 N ATOM 296 CA PHE A 27 -27.069 5.818 -1.464 1.00 0.00 C ATOM 297 C PHE A 27 -26.215 7.032 -1.802 1.00 0.00 C ATOM 298 O PHE A 27 -26.647 8.174 -1.639 1.00 0.00 O ATOM 299 CB PHE A 27 -28.459 5.972 -2.084 1.00 0.00 C ATOM 300 CG PHE A 27 -28.428 6.202 -3.569 1.00 0.00 C ATOM 301 CD1 PHE A 27 -29.319 7.080 -4.165 1.00 0.00 C ATOM 302 CD2 PHE A 27 -27.505 5.544 -4.368 1.00 0.00 C ATOM 303 CE1 PHE A 27 -29.292 7.296 -5.529 1.00 0.00 C ATOM 304 CE2 PHE A 27 -27.473 5.757 -5.733 1.00 0.00 C ATOM 305 CZ PHE A 27 -28.365 6.637 -6.313 1.00 0.00 C ATOM 0 H PHE A 27 -28.122 5.558 0.331 1.00 0.00 H new ATOM 0 HA PHE A 27 -26.593 4.930 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -29.043 5.076 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -28.972 6.806 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -30.043 7.601 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -26.803 4.857 -3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -29.995 7.979 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -26.752 5.236 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 27 -28.338 6.810 -7.379 1.00 0.00 H new ATOM 315 N GLY A 28 -25.002 6.776 -2.273 1.00 0.00 N ATOM 316 CA GLY A 28 -24.103 7.855 -2.632 1.00 0.00 C ATOM 317 C GLY A 28 -22.905 7.964 -1.705 1.00 0.00 C ATOM 318 O GLY A 28 -22.055 8.836 -1.887 1.00 0.00 O ATOM 0 H GLY A 28 -24.624 5.839 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.753 7.704 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -24.652 8.797 -2.620 1.00 0.00 H new ATOM 322 N SER A 29 -22.831 7.084 -0.707 1.00 0.00 N ATOM 323 CA SER A 29 -21.724 7.103 0.240 1.00 0.00 C ATOM 324 C SER A 29 -20.470 6.489 -0.374 1.00 0.00 C ATOM 325 O SER A 29 -20.486 6.038 -1.518 1.00 0.00 O ATOM 326 CB SER A 29 -22.106 6.341 1.509 1.00 0.00 C ATOM 327 OG SER A 29 -22.215 4.951 1.255 1.00 0.00 O ATOM 0 H SER A 29 -23.522 6.354 -0.536 1.00 0.00 H new ATOM 0 HA SER A 29 -21.511 8.142 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 29 -21.357 6.515 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 29 -23.053 6.719 1.893 1.00 0.00 H new ATOM 0 HG SER A 29 -21.491 4.477 1.715 1.00 0.00 H new ATOM 333 N SER A 30 -19.387 6.472 0.396 1.00 0.00 N ATOM 334 CA SER A 30 -18.128 5.904 -0.071 1.00 0.00 C ATOM 335 C SER A 30 -17.333 5.312 1.087 1.00 0.00 C ATOM 336 O SER A 30 -17.345 5.842 2.197 1.00 0.00 O ATOM 337 CB SER A 30 -17.293 6.970 -0.785 1.00 0.00 C ATOM 338 OG SER A 30 -17.369 8.215 -0.112 1.00 0.00 O ATOM 0 H SER A 30 -19.356 6.845 1.345 1.00 0.00 H new ATOM 0 HA SER A 30 -18.361 5.105 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.254 6.646 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.645 7.085 -1.810 1.00 0.00 H new ATOM 0 HG SER A 30 -17.397 8.063 0.856 1.00 0.00 H new ATOM 344 N ILE A 31 -16.644 4.208 0.818 1.00 0.00 N ATOM 345 CA ILE A 31 -15.837 3.541 1.836 1.00 0.00 C ATOM 346 C ILE A 31 -14.353 3.689 1.526 1.00 0.00 C ATOM 347 O ILE A 31 -13.980 4.134 0.441 1.00 0.00 O ATOM 348 CB ILE A 31 -16.165 2.035 1.957 1.00 0.00 C ATOM 349 CG1 ILE A 31 -17.562 1.718 1.428 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.062 1.590 3.400 1.00 0.00 C ATOM 351 CD1 ILE A 31 -17.873 0.237 1.422 1.00 0.00 C ATOM 0 H ILE A 31 -16.628 3.755 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.078 4.025 2.783 1.00 0.00 H new ATOM 0 HB ILE A 31 -15.438 1.494 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.301 2.236 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.657 2.107 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.295 0.528 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.049 1.764 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.767 2.158 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.880 0.078 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.155 -0.283 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.809 -0.152 2.438 1.00 0.00 H new ATOM 363 N THR A 32 -13.508 3.298 2.474 1.00 0.00 N ATOM 364 CA THR A 32 -12.066 3.383 2.283 1.00 0.00 C ATOM 365 C THR A 32 -11.385 2.061 2.613 1.00 0.00 C ATOM 366 O THR A 32 -11.357 1.635 3.768 1.00 0.00 O ATOM 367 CB THR A 32 -11.478 4.503 3.142 1.00 0.00 C ATOM 368 OG1 THR A 32 -12.508 5.292 3.711 1.00 0.00 O ATOM 369 CG2 THR A 32 -10.562 5.426 2.371 1.00 0.00 C ATOM 0 H THR A 32 -13.795 2.921 3.377 1.00 0.00 H new ATOM 0 HA THR A 32 -11.883 3.607 1.232 1.00 0.00 H new ATOM 0 HB THR A 32 -10.895 4.002 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.157 5.780 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.178 6.198 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.730 4.854 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.117 5.892 1.557 1.00 0.00 H new ATOM 377 N TYR A 33 -10.828 1.423 1.590 1.00 0.00 N ATOM 378 CA TYR A 33 -10.138 0.152 1.766 1.00 0.00 C ATOM 379 C TYR A 33 -8.673 0.369 2.117 1.00 0.00 C ATOM 380 O TYR A 33 -8.020 1.262 1.578 1.00 0.00 O ATOM 381 CB TYR A 33 -10.243 -0.685 0.493 1.00 0.00 C ATOM 382 CG TYR A 33 -11.494 -1.524 0.431 1.00 0.00 C ATOM 383 CD1 TYR A 33 -12.726 -0.944 0.165 1.00 0.00 C ATOM 384 CD2 TYR A 33 -11.445 -2.892 0.655 1.00 0.00 C ATOM 385 CE1 TYR A 33 -13.874 -1.710 0.108 1.00 0.00 C ATOM 386 CE2 TYR A 33 -12.590 -3.664 0.606 1.00 0.00 C ATOM 387 CZ TYR A 33 -13.801 -3.068 0.329 1.00 0.00 C ATOM 388 OH TYR A 33 -14.943 -3.831 0.274 1.00 0.00 O ATOM 0 H TYR A 33 -10.841 1.766 0.629 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.616 -0.379 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.215 -0.023 -0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.373 -1.337 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -12.788 0.122 0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.497 -3.361 0.871 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -14.825 -1.246 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.536 -4.728 0.784 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.135 -4.197 1.163 1.00 0.00 H new ATOM 398 N SER A 34 -8.162 -0.459 3.018 1.00 0.00 N ATOM 399 CA SER A 34 -6.768 -0.362 3.437 1.00 0.00 C ATOM 400 C SER A 34 -6.204 -1.741 3.752 1.00 0.00 C ATOM 401 O SER A 34 -6.952 -2.671 4.036 1.00 0.00 O ATOM 402 CB SER A 34 -6.647 0.543 4.665 1.00 0.00 C ATOM 403 OG SER A 34 -6.750 1.909 4.304 1.00 0.00 O ATOM 0 H SER A 34 -8.689 -1.204 3.473 1.00 0.00 H new ATOM 0 HA SER A 34 -6.194 0.070 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.428 0.293 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.692 0.365 5.159 1.00 0.00 H new ATOM 0 HG SER A 34 -7.014 1.980 3.363 1.00 0.00 H new ATOM 409 N CYS A 35 -4.883 -1.870 3.694 1.00 0.00 N ATOM 410 CA CYS A 35 -4.232 -3.142 3.986 1.00 0.00 C ATOM 411 C CYS A 35 -4.111 -3.351 5.492 1.00 0.00 C ATOM 412 O CYS A 35 -4.366 -2.437 6.277 1.00 0.00 O ATOM 413 CB CYS A 35 -2.848 -3.195 3.338 1.00 0.00 C ATOM 414 SG CYS A 35 -2.880 -3.419 1.530 1.00 0.00 S ATOM 0 H CYS A 35 -4.245 -1.113 3.449 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.846 -3.941 3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.315 -2.273 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.281 -4.012 3.784 1.00 0.00 H new ATOM 419 N ASN A 36 -3.724 -4.558 5.890 1.00 0.00 N ATOM 420 CA ASN A 36 -3.574 -4.882 7.304 1.00 0.00 C ATOM 421 C ASN A 36 -2.389 -4.138 7.911 1.00 0.00 C ATOM 422 O ASN A 36 -2.563 -3.161 8.639 1.00 0.00 O ATOM 423 CB ASN A 36 -3.389 -6.390 7.485 1.00 0.00 C ATOM 424 CG ASN A 36 -4.558 -7.032 8.203 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.489 -7.313 9.400 1.00 0.00 O ATOM 426 ND2 ASN A 36 -5.642 -7.267 7.474 1.00 0.00 N ATOM 0 H ASN A 36 -3.509 -5.327 5.255 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.481 -4.568 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.264 -6.858 6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.474 -6.576 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.462 -7.697 7.903 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.655 -7.018 6.485 1.00 0.00 H new ATOM 433 N SER A 37 -1.186 -4.609 7.606 1.00 0.00 N ATOM 434 CA SER A 37 0.031 -3.991 8.118 1.00 0.00 C ATOM 435 C SER A 37 1.235 -4.378 7.267 1.00 0.00 C ATOM 436 O SER A 37 1.362 -5.525 6.840 1.00 0.00 O ATOM 437 CB SER A 37 0.266 -4.405 9.572 1.00 0.00 C ATOM 438 OG SER A 37 1.633 -4.280 9.924 1.00 0.00 O ATOM 0 H SER A 37 -1.027 -5.418 7.006 1.00 0.00 H new ATOM 0 HA SER A 37 -0.093 -2.909 8.071 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.341 -3.785 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.057 -5.436 9.716 1.00 0.00 H new ATOM 0 HG SER A 37 1.756 -4.549 10.858 1.00 0.00 H new ATOM 444 N GLY A 38 2.115 -3.414 7.023 1.00 0.00 N ATOM 445 CA GLY A 38 3.291 -3.675 6.215 1.00 0.00 C ATOM 446 C GLY A 38 2.932 -4.203 4.842 1.00 0.00 C ATOM 447 O GLY A 38 3.724 -4.900 4.208 1.00 0.00 O ATOM 0 H GLY A 38 2.035 -2.458 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.870 -2.757 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.928 -4.397 6.726 1.00 0.00 H new ATOM 451 N TYR A 39 1.728 -3.875 4.388 1.00 0.00 N ATOM 452 CA TYR A 39 1.249 -4.329 3.090 1.00 0.00 C ATOM 453 C TYR A 39 1.009 -3.152 2.153 1.00 0.00 C ATOM 454 O TYR A 39 1.052 -1.995 2.569 1.00 0.00 O ATOM 455 CB TYR A 39 -0.048 -5.121 3.260 1.00 0.00 C ATOM 456 CG TYR A 39 0.162 -6.610 3.390 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.732 -7.507 2.822 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.250 -7.118 4.086 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.542 -8.871 2.937 1.00 0.00 C ATOM 460 CE2 TYR A 39 1.451 -8.478 4.199 1.00 0.00 C ATOM 461 CZ TYR A 39 0.551 -9.351 3.628 1.00 0.00 C ATOM 462 OH TYR A 39 0.744 -10.708 3.745 1.00 0.00 O ATOM 0 H TYR A 39 1.065 -3.295 4.902 1.00 0.00 H new ATOM 0 HA TYR A 39 2.014 -4.970 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.571 -4.758 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.696 -4.928 2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.589 -7.133 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.951 -6.437 4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.245 -9.557 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.310 -8.857 4.733 1.00 0.00 H new ATOM 0 HH TYR A 39 1.560 -10.879 4.260 1.00 0.00 H new ATOM 472 N HIS A 40 0.748 -3.457 0.886 1.00 0.00 N ATOM 473 CA HIS A 40 0.466 -2.426 -0.103 1.00 0.00 C ATOM 474 C HIS A 40 -0.780 -2.784 -0.904 1.00 0.00 C ATOM 475 O HIS A 40 -0.863 -3.858 -1.499 1.00 0.00 O ATOM 476 CB HIS A 40 1.669 -2.218 -1.036 1.00 0.00 C ATOM 477 CG HIS A 40 1.808 -3.257 -2.109 1.00 0.00 C ATOM 478 ND1 HIS A 40 2.154 -2.953 -3.409 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.643 -4.601 -2.070 1.00 0.00 C ATOM 480 CE1 HIS A 40 2.197 -4.064 -4.122 1.00 0.00 C ATOM 481 NE2 HIS A 40 1.890 -5.077 -3.334 1.00 0.00 N ATOM 0 H HIS A 40 0.726 -4.409 0.521 1.00 0.00 H new ATOM 0 HA HIS A 40 0.282 -1.489 0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.584 -1.238 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.580 -2.207 -0.437 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.368 -5.188 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.442 -4.132 -5.172 1.00 0.00 H new ATOM 0 HE2 HIS A 40 1.844 -6.056 -3.618 1.00 0.00 H new ATOM 490 N LEU A 41 -1.756 -1.888 -0.891 1.00 0.00 N ATOM 491 CA LEU A 41 -3.001 -2.107 -1.608 1.00 0.00 C ATOM 492 C LEU A 41 -2.873 -1.644 -3.052 1.00 0.00 C ATOM 493 O LEU A 41 -2.349 -0.563 -3.322 1.00 0.00 O ATOM 494 CB LEU A 41 -4.142 -1.363 -0.914 1.00 0.00 C ATOM 495 CG LEU A 41 -5.453 -1.318 -1.695 1.00 0.00 C ATOM 496 CD1 LEU A 41 -6.627 -1.108 -0.751 1.00 0.00 C ATOM 497 CD2 LEU A 41 -5.404 -0.221 -2.746 1.00 0.00 C ATOM 0 H LEU A 41 -1.708 -1.001 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.221 -3.174 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.328 -1.833 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.820 -0.341 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.590 -2.273 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.554 -1.078 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.669 -1.929 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.500 -0.166 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.345 -0.201 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.247 0.742 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.585 -0.416 -3.438 1.00 0.00 H new ATOM 509 N ILE A 42 -3.342 -2.469 -3.979 1.00 0.00 N ATOM 510 CA ILE A 42 -3.259 -2.137 -5.396 1.00 0.00 C ATOM 511 C ILE A 42 -4.642 -1.905 -5.988 1.00 0.00 C ATOM 512 O ILE A 42 -5.646 -2.382 -5.460 1.00 0.00 O ATOM 513 CB ILE A 42 -2.536 -3.232 -6.210 1.00 0.00 C ATOM 514 CG1 ILE A 42 -1.487 -3.947 -5.352 1.00 0.00 C ATOM 515 CG2 ILE A 42 -1.882 -2.620 -7.436 1.00 0.00 C ATOM 516 CD1 ILE A 42 -0.512 -3.000 -4.689 1.00 0.00 C ATOM 0 H ILE A 42 -3.781 -3.367 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.676 -1.218 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.274 -3.968 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.993 -4.533 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.934 -4.649 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.374 -3.399 -8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.644 -2.153 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.158 -1.868 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.204 -3.570 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.020 -2.432 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.056 -2.314 -4.039 1.00 0.00 H new ATOM 528 N GLY A 43 -4.683 -1.160 -7.085 1.00 0.00 N ATOM 529 CA GLY A 43 -5.948 -0.861 -7.731 1.00 0.00 C ATOM 530 C GLY A 43 -6.679 0.287 -7.061 1.00 0.00 C ATOM 531 O GLY A 43 -6.105 1.355 -6.849 1.00 0.00 O ATOM 0 H GLY A 43 -3.864 -0.757 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.770 -0.614 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.580 -1.749 -7.716 1.00 0.00 H new ATOM 535 N GLU A 44 -7.945 0.067 -6.721 1.00 0.00 N ATOM 536 CA GLU A 44 -8.744 1.089 -6.059 1.00 0.00 C ATOM 537 C GLU A 44 -8.495 1.076 -4.558 1.00 0.00 C ATOM 538 O GLU A 44 -7.652 0.330 -4.067 1.00 0.00 O ATOM 539 CB GLU A 44 -10.228 0.851 -6.329 1.00 0.00 C ATOM 540 CG GLU A 44 -10.651 -0.588 -6.099 1.00 0.00 C ATOM 541 CD GLU A 44 -11.084 -1.286 -7.375 1.00 0.00 C ATOM 542 OE1 GLU A 44 -10.865 -0.719 -8.466 1.00 0.00 O ATOM 543 OE2 GLU A 44 -11.642 -2.400 -7.282 1.00 0.00 O ATOM 0 H GLU A 44 -8.438 -0.809 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.453 2.061 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.818 1.504 -5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.453 1.130 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.823 -1.138 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.472 -0.610 -5.382 1.00 0.00 H new ATOM 550 N SER A 45 -9.263 1.876 -3.831 1.00 0.00 N ATOM 551 CA SER A 45 -9.127 1.968 -2.393 1.00 0.00 C ATOM 552 C SER A 45 -10.362 2.591 -1.764 1.00 0.00 C ATOM 553 O SER A 45 -10.294 3.168 -0.678 1.00 0.00 O ATOM 554 CB SER A 45 -7.916 2.817 -2.061 1.00 0.00 C ATOM 555 OG SER A 45 -7.855 3.966 -2.889 1.00 0.00 O ATOM 0 H SER A 45 -9.991 2.473 -4.222 1.00 0.00 H new ATOM 0 HA SER A 45 -9.007 0.961 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.957 3.121 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.009 2.226 -2.186 1.00 0.00 H new ATOM 0 HG SER A 45 -7.066 4.497 -2.653 1.00 0.00 H new ATOM 561 N LYS A 46 -11.488 2.487 -2.453 1.00 0.00 N ATOM 562 CA LYS A 46 -12.713 3.095 -1.984 1.00 0.00 C ATOM 563 C LYS A 46 -13.931 2.538 -2.714 1.00 0.00 C ATOM 564 O LYS A 46 -13.993 2.558 -3.943 1.00 0.00 O ATOM 565 CB LYS A 46 -12.632 4.599 -2.211 1.00 0.00 C ATOM 566 CG LYS A 46 -11.841 5.339 -1.148 1.00 0.00 C ATOM 567 CD LYS A 46 -12.238 6.804 -1.075 1.00 0.00 C ATOM 568 CE LYS A 46 -13.372 7.028 -0.089 1.00 0.00 C ATOM 569 NZ LYS A 46 -14.032 8.347 -0.293 1.00 0.00 N ATOM 0 H LYS A 46 -11.574 1.987 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.827 2.870 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.178 4.786 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.642 5.006 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.004 4.868 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.776 5.260 -1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.375 7.401 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.541 7.149 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.109 6.232 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.986 6.969 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.046 8.264 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.602 9.052 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.910 8.647 -1.281 1.00 0.00 H new ATOM 583 N SER A 47 -14.907 2.061 -1.949 1.00 0.00 N ATOM 584 CA SER A 47 -16.153 1.563 -2.517 1.00 0.00 C ATOM 585 C SER A 47 -17.178 2.676 -2.525 1.00 0.00 C ATOM 586 O SER A 47 -17.268 3.435 -1.562 1.00 0.00 O ATOM 587 CB SER A 47 -16.683 0.387 -1.699 1.00 0.00 C ATOM 588 OG SER A 47 -17.499 -0.466 -2.478 1.00 0.00 O ATOM 0 H SER A 47 -14.858 2.009 -0.931 1.00 0.00 H new ATOM 0 HA SER A 47 -15.966 1.223 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.846 -0.181 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.255 0.762 -0.850 1.00 0.00 H new ATOM 0 HG SER A 47 -17.567 -0.111 -3.389 1.00 0.00 H new ATOM 594 N TYR A 48 -17.937 2.806 -3.606 1.00 0.00 N ATOM 595 CA TYR A 48 -18.942 3.872 -3.654 1.00 0.00 C ATOM 596 C TYR A 48 -20.352 3.309 -3.705 1.00 0.00 C ATOM 597 O TYR A 48 -20.721 2.589 -4.633 1.00 0.00 O ATOM 598 CB TYR A 48 -18.701 4.836 -4.820 1.00 0.00 C ATOM 599 CG TYR A 48 -17.240 5.039 -5.141 1.00 0.00 C ATOM 600 CD1 TYR A 48 -16.741 4.787 -6.412 1.00 0.00 C ATOM 601 CD2 TYR A 48 -16.364 5.494 -4.168 1.00 0.00 C ATOM 602 CE1 TYR A 48 -15.404 4.977 -6.702 1.00 0.00 C ATOM 603 CE2 TYR A 48 -15.025 5.689 -4.449 1.00 0.00 C ATOM 604 CZ TYR A 48 -14.550 5.430 -5.718 1.00 0.00 C ATOM 605 OH TYR A 48 -13.217 5.622 -6.002 1.00 0.00 O ATOM 0 H TYR A 48 -17.885 2.214 -4.435 1.00 0.00 H new ATOM 0 HA TYR A 48 -18.839 4.440 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -19.210 4.457 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -19.150 5.800 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -17.408 4.437 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.734 5.699 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.029 4.772 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.354 6.042 -3.680 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.755 5.945 -5.200 1.00 0.00 H new ATOM 615 N CYS A 49 -21.130 3.642 -2.682 1.00 0.00 N ATOM 616 CA CYS A 49 -22.508 3.186 -2.582 1.00 0.00 C ATOM 617 C CYS A 49 -23.354 3.795 -3.685 1.00 0.00 C ATOM 618 O CYS A 49 -23.890 4.894 -3.542 1.00 0.00 O ATOM 619 CB CYS A 49 -23.095 3.548 -1.220 1.00 0.00 C ATOM 620 SG CYS A 49 -24.869 3.181 -1.052 1.00 0.00 S ATOM 0 H CYS A 49 -20.826 4.230 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 49 -22.514 2.102 -2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -22.549 3.008 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -22.937 4.611 -1.039 1.00 0.00 H new ATOM 625 N GLU A 50 -23.462 3.076 -4.788 1.00 0.00 N ATOM 626 CA GLU A 50 -24.241 3.543 -5.927 1.00 0.00 C ATOM 627 C GLU A 50 -25.304 2.521 -6.301 1.00 0.00 C ATOM 628 O GLU A 50 -25.352 1.424 -5.753 1.00 0.00 O ATOM 629 CB GLU A 50 -23.300 3.862 -7.109 1.00 0.00 C ATOM 630 CG GLU A 50 -23.829 3.551 -8.507 1.00 0.00 C ATOM 631 CD GLU A 50 -22.738 3.575 -9.560 1.00 0.00 C ATOM 632 OE1 GLU A 50 -22.624 4.594 -10.273 1.00 0.00 O ATOM 633 OE2 GLU A 50 -21.998 2.575 -9.672 1.00 0.00 O ATOM 0 H GLU A 50 -23.021 2.166 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 50 -24.762 4.462 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.049 4.922 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.372 3.308 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.303 2.570 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.599 4.276 -8.770 1.00 0.00 H new ATOM 640 N LEU A 51 -26.170 2.916 -7.216 1.00 0.00 N ATOM 641 CA LEU A 51 -27.241 2.048 -7.689 1.00 0.00 C ATOM 642 C LEU A 51 -26.898 1.474 -9.058 1.00 0.00 C ATOM 643 O LEU A 51 -26.160 2.087 -9.829 1.00 0.00 O ATOM 644 CB LEU A 51 -28.557 2.823 -7.762 1.00 0.00 C ATOM 645 CG LEU A 51 -28.579 3.957 -8.786 1.00 0.00 C ATOM 646 CD1 LEU A 51 -29.664 4.965 -8.443 1.00 0.00 C ATOM 647 CD2 LEU A 51 -28.787 3.403 -10.185 1.00 0.00 C ATOM 0 H LEU A 51 -26.155 3.838 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -27.354 1.225 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -29.360 2.125 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -28.773 3.238 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 51 -27.616 4.468 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -29.664 5.765 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -30.635 4.469 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -29.472 5.384 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -28.800 4.223 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -27.974 2.719 -10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -29.736 2.868 -10.227 1.00 0.00 H new ATOM 659 N GLY A 52 -27.431 0.294 -9.356 1.00 0.00 N ATOM 660 CA GLY A 52 -27.153 -0.333 -10.637 1.00 0.00 C ATOM 661 C GLY A 52 -28.003 -1.561 -10.899 1.00 0.00 C ATOM 662 O GLY A 52 -28.396 -1.818 -12.037 1.00 0.00 O ATOM 0 H GLY A 52 -28.046 -0.237 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -27.320 0.393 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -26.100 -0.613 -10.676 1.00 0.00 H new ATOM 666 N SER A 53 -28.272 -2.333 -9.853 1.00 0.00 N ATOM 667 CA SER A 53 -29.064 -3.549 -9.985 1.00 0.00 C ATOM 668 C SER A 53 -30.502 -3.228 -10.385 1.00 0.00 C ATOM 669 O SER A 53 -31.425 -3.341 -9.579 1.00 0.00 O ATOM 670 CB SER A 53 -29.040 -4.338 -8.675 1.00 0.00 C ATOM 671 OG SER A 53 -28.539 -5.648 -8.877 1.00 0.00 O ATOM 0 H SER A 53 -27.953 -2.138 -8.904 1.00 0.00 H new ATOM 0 HA SER A 53 -28.623 -4.158 -10.774 1.00 0.00 H new ATOM 0 HB2 SER A 53 -28.421 -3.817 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.047 -4.390 -8.260 1.00 0.00 H new ATOM 0 HG SER A 53 -28.532 -6.131 -8.024 1.00 0.00 H new ATOM 677 N THR A 54 -30.682 -2.829 -11.640 1.00 0.00 N ATOM 678 CA THR A 54 -32.006 -2.503 -12.161 1.00 0.00 C ATOM 679 C THR A 54 -32.744 -1.541 -11.234 1.00 0.00 C ATOM 680 O THR A 54 -33.974 -1.534 -11.185 1.00 0.00 O ATOM 681 CB THR A 54 -32.829 -3.779 -12.350 1.00 0.00 C ATOM 682 OG1 THR A 54 -33.463 -4.150 -11.139 1.00 0.00 O ATOM 683 CG2 THR A 54 -32.005 -4.959 -12.820 1.00 0.00 C ATOM 0 H THR A 54 -29.926 -2.723 -12.317 1.00 0.00 H new ATOM 0 HA THR A 54 -31.875 -2.013 -13.126 1.00 0.00 H new ATOM 0 HB THR A 54 -33.561 -3.540 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 54 -32.875 -3.939 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 54 -32.650 -5.831 -12.934 1.00 0.00 H new ATOM 0 HG22 THR A 54 -31.543 -4.722 -13.778 1.00 0.00 H new ATOM 0 HG23 THR A 54 -31.228 -5.175 -12.087 1.00 0.00 H new ATOM 691 N GLY A 55 -31.986 -0.726 -10.507 1.00 0.00 N ATOM 692 CA GLY A 55 -32.588 0.232 -9.598 1.00 0.00 C ATOM 693 C GLY A 55 -32.266 -0.046 -8.138 1.00 0.00 C ATOM 694 O GLY A 55 -32.743 0.660 -7.250 1.00 0.00 O ATOM 0 H GLY A 55 -30.966 -0.712 -10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -32.244 1.234 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -33.670 0.222 -9.733 1.00 0.00 H new ATOM 698 N SER A 56 -31.459 -1.074 -7.886 1.00 0.00 N ATOM 699 CA SER A 56 -31.079 -1.431 -6.524 1.00 0.00 C ATOM 700 C SER A 56 -29.914 -0.571 -6.045 1.00 0.00 C ATOM 701 O SER A 56 -29.670 0.511 -6.577 1.00 0.00 O ATOM 702 CB SER A 56 -30.704 -2.913 -6.453 1.00 0.00 C ATOM 703 OG SER A 56 -30.902 -3.428 -5.147 1.00 0.00 O ATOM 0 H SER A 56 -31.057 -1.673 -8.607 1.00 0.00 H new ATOM 0 HA SER A 56 -31.932 -1.249 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 56 -31.306 -3.478 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 56 -29.661 -3.042 -6.744 1.00 0.00 H new ATOM 0 HG SER A 56 -30.657 -4.377 -5.129 1.00 0.00 H new ATOM 709 N MET A 57 -29.207 -1.052 -5.030 1.00 0.00 N ATOM 710 CA MET A 57 -28.064 -0.334 -4.487 1.00 0.00 C ATOM 711 C MET A 57 -26.859 -1.256 -4.384 1.00 0.00 C ATOM 712 O MET A 57 -26.856 -2.220 -3.619 1.00 0.00 O ATOM 713 CB MET A 57 -28.394 0.257 -3.114 1.00 0.00 C ATOM 714 CG MET A 57 -29.841 0.696 -2.974 1.00 0.00 C ATOM 715 SD MET A 57 -30.000 2.400 -2.404 1.00 0.00 S ATOM 716 CE MET A 57 -31.638 2.807 -3.004 1.00 0.00 C ATOM 0 H MET A 57 -29.407 -1.938 -4.566 1.00 0.00 H new ATOM 0 HA MET A 57 -27.824 0.485 -5.166 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.172 -0.484 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 57 -27.744 1.112 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 57 -30.343 0.591 -3.936 1.00 0.00 H new ATOM 0 HG3 MET A 57 -30.351 0.034 -2.274 1.00 0.00 H new ATOM 0 HE1 MET A 57 -31.882 3.833 -2.729 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.663 2.706 -4.089 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.367 2.129 -2.560 1.00 0.00 H new ATOM 726 N VAL A 58 -25.853 -0.961 -5.187 1.00 0.00 N ATOM 727 CA VAL A 58 -24.633 -1.749 -5.226 1.00 0.00 C ATOM 728 C VAL A 58 -23.463 -0.945 -4.675 1.00 0.00 C ATOM 729 O VAL A 58 -23.640 0.177 -4.200 1.00 0.00 O ATOM 730 CB VAL A 58 -24.313 -2.197 -6.664 1.00 0.00 C ATOM 731 CG1 VAL A 58 -25.085 -3.459 -7.014 1.00 0.00 C ATOM 732 CG2 VAL A 58 -24.634 -1.081 -7.645 1.00 0.00 C ATOM 0 H VAL A 58 -25.858 -0.169 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 58 -24.788 -2.633 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.248 -2.421 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -24.846 -3.761 -8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -24.809 -4.257 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.155 -3.265 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -24.403 -1.410 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -25.693 -0.830 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.036 -0.202 -7.404 1.00 0.00 H new ATOM 742 N TRP A 59 -22.268 -1.514 -4.744 1.00 0.00 N ATOM 743 CA TRP A 59 -21.081 -0.838 -4.244 1.00 0.00 C ATOM 744 C TRP A 59 -20.004 -0.747 -5.317 1.00 0.00 C ATOM 745 O TRP A 59 -19.562 -1.761 -5.857 1.00 0.00 O ATOM 746 CB TRP A 59 -20.528 -1.574 -3.023 1.00 0.00 C ATOM 747 CG TRP A 59 -21.244 -1.246 -1.748 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.250 -1.961 -1.168 1.00 0.00 C ATOM 749 CD2 TRP A 59 -20.996 -0.129 -0.887 1.00 0.00 C ATOM 750 NE1 TRP A 59 -22.645 -1.358 0.001 1.00 0.00 N ATOM 751 CE2 TRP A 59 -21.894 -0.228 0.193 1.00 0.00 C ATOM 752 CE3 TRP A 59 -20.107 0.949 -0.926 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -21.924 0.709 1.223 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -20.141 1.877 0.096 1.00 0.00 C ATOM 755 CH2 TRP A 59 -21.040 1.750 1.157 1.00 0.00 C ATOM 0 H TRP A 59 -22.096 -2.438 -5.140 1.00 0.00 H new ATOM 0 HA TRP A 59 -21.370 0.174 -3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -20.590 -2.648 -3.198 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -19.472 -1.330 -2.910 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -22.674 -2.869 -1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.378 -1.696 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.406 1.054 -1.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -22.620 0.617 2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -19.461 2.715 0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.037 2.491 1.943 1.00 0.00 H new ATOM 766 N ASN A 60 -19.564 0.474 -5.600 1.00 0.00 N ATOM 767 CA ASN A 60 -18.498 0.695 -6.568 1.00 0.00 C ATOM 768 C ASN A 60 -17.194 0.161 -5.995 1.00 0.00 C ATOM 769 O ASN A 60 -17.166 -0.202 -4.826 1.00 0.00 O ATOM 770 CB ASN A 60 -18.383 2.180 -6.884 1.00 0.00 C ATOM 771 CG ASN A 60 -18.937 2.525 -8.254 1.00 0.00 C ATOM 772 OD1 ASN A 60 -18.697 1.816 -9.231 1.00 0.00 O ATOM 773 ND2 ASN A 60 -19.688 3.618 -8.330 1.00 0.00 N ATOM 0 H ASN A 60 -19.929 1.325 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.722 0.169 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.916 2.752 -6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.336 2.480 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.091 3.899 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.861 4.177 -7.494 1.00 0.00 H new ATOM 780 N PRO A 61 -16.130 0.035 -6.828 1.00 0.00 N ATOM 781 CA PRO A 61 -14.815 -0.477 -6.450 1.00 0.00 C ATOM 782 C PRO A 61 -14.629 -0.722 -4.955 1.00 0.00 C ATOM 783 O PRO A 61 -14.210 0.159 -4.206 1.00 0.00 O ATOM 784 CB PRO A 61 -13.935 0.638 -6.990 1.00 0.00 C ATOM 785 CG PRO A 61 -14.621 1.044 -8.273 1.00 0.00 C ATOM 786 CD PRO A 61 -16.049 0.516 -8.205 1.00 0.00 C ATOM 0 HA PRO A 61 -14.601 -1.471 -6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.869 1.471 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.917 0.293 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.616 2.128 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.099 0.631 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.783 1.296 -8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.224 -0.282 -8.927 1.00 0.00 H new ATOM 794 N GLU A 62 -14.966 -1.944 -4.543 1.00 0.00 N ATOM 795 CA GLU A 62 -14.915 -2.346 -3.143 1.00 0.00 C ATOM 796 C GLU A 62 -13.517 -2.802 -2.718 1.00 0.00 C ATOM 797 O GLU A 62 -12.706 -1.989 -2.283 1.00 0.00 O ATOM 798 CB GLU A 62 -15.940 -3.454 -2.883 1.00 0.00 C ATOM 799 CG GLU A 62 -17.368 -3.040 -3.153 1.00 0.00 C ATOM 800 CD GLU A 62 -18.239 -4.201 -3.594 1.00 0.00 C ATOM 801 OE1 GLU A 62 -18.406 -4.386 -4.818 1.00 0.00 O ATOM 802 OE2 GLU A 62 -18.754 -4.924 -2.716 1.00 0.00 O ATOM 0 H GLU A 62 -15.282 -2.681 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.160 -1.471 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.697 -4.314 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.856 -3.778 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.790 -2.596 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.379 -2.269 -3.923 1.00 0.00 H new ATOM 809 N ALA A 63 -13.252 -4.107 -2.811 1.00 0.00 N ATOM 810 CA ALA A 63 -11.981 -4.668 -2.362 1.00 0.00 C ATOM 811 C ALA A 63 -10.940 -4.728 -3.478 1.00 0.00 C ATOM 812 O ALA A 63 -11.025 -5.573 -4.369 1.00 0.00 O ATOM 813 CB ALA A 63 -12.205 -6.060 -1.791 1.00 0.00 C ATOM 0 H ALA A 63 -13.902 -4.793 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.590 -4.005 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.253 -6.474 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.891 -6.001 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.631 -6.704 -2.560 1.00 0.00 H new ATOM 819 N PRO A 64 -9.901 -3.874 -3.407 1.00 0.00 N ATOM 820 CA PRO A 64 -8.809 -3.871 -4.377 1.00 0.00 C ATOM 821 C PRO A 64 -7.811 -4.986 -4.084 1.00 0.00 C ATOM 822 O PRO A 64 -8.161 -5.993 -3.469 1.00 0.00 O ATOM 823 CB PRO A 64 -8.147 -2.495 -4.179 1.00 0.00 C ATOM 824 CG PRO A 64 -8.970 -1.787 -3.148 1.00 0.00 C ATOM 825 CD PRO A 64 -9.688 -2.853 -2.380 1.00 0.00 C ATOM 0 HA PRO A 64 -9.158 -4.037 -5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.114 -2.603 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.125 -1.934 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.339 -1.191 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.677 -1.103 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.092 -3.229 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.628 -2.492 -1.962 1.00 0.00 H new ATOM 833 N ILE A 65 -6.562 -4.794 -4.492 1.00 0.00 N ATOM 834 CA ILE A 65 -5.523 -5.786 -4.235 1.00 0.00 C ATOM 835 C ILE A 65 -4.770 -5.456 -2.953 1.00 0.00 C ATOM 836 O ILE A 65 -4.922 -4.370 -2.393 1.00 0.00 O ATOM 837 CB ILE A 65 -4.506 -5.891 -5.388 1.00 0.00 C ATOM 838 CG1 ILE A 65 -5.144 -5.501 -6.722 1.00 0.00 C ATOM 839 CG2 ILE A 65 -3.942 -7.299 -5.462 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.334 -6.355 -7.096 1.00 0.00 C ATOM 0 H ILE A 65 -6.245 -3.967 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.035 -6.744 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.692 -5.194 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.456 -4.458 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.394 -5.573 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.225 -7.361 -6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.444 -7.541 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.752 -8.007 -5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.735 -6.021 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.023 -7.397 -7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.103 -6.264 -6.329 1.00 0.00 H new ATOM 852 N CYS A 66 -3.960 -6.400 -2.495 1.00 0.00 N ATOM 853 CA CYS A 66 -3.177 -6.214 -1.283 1.00 0.00 C ATOM 854 C CYS A 66 -2.164 -7.339 -1.111 1.00 0.00 C ATOM 855 O CYS A 66 -2.474 -8.508 -1.340 1.00 0.00 O ATOM 856 CB CYS A 66 -4.093 -6.155 -0.062 1.00 0.00 C ATOM 857 SG CYS A 66 -4.353 -4.477 0.596 1.00 0.00 S ATOM 0 H CYS A 66 -3.828 -7.305 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.638 -5.271 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.060 -6.583 -0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.672 -6.780 0.725 1.00 0.00 H new ATOM 862 N GLU A 67 -0.958 -6.980 -0.692 1.00 0.00 N ATOM 863 CA GLU A 67 0.099 -7.959 -0.476 1.00 0.00 C ATOM 864 C GLU A 67 1.205 -7.372 0.392 1.00 0.00 C ATOM 865 O GLU A 67 1.182 -6.187 0.723 1.00 0.00 O ATOM 866 CB GLU A 67 0.674 -8.423 -1.816 1.00 0.00 C ATOM 867 CG GLU A 67 0.923 -9.921 -1.885 1.00 0.00 C ATOM 868 CD GLU A 67 -0.306 -10.734 -1.528 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.216 -11.571 -0.605 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.358 -10.532 -2.170 1.00 0.00 O ATOM 0 H GLU A 67 -0.687 -6.017 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.329 -8.818 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.012 -8.140 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.611 -7.898 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.249 -10.185 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.736 -10.182 -1.207 1.00 0.00 H new ATOM 877 N SER A 68 2.169 -8.205 0.768 1.00 0.00 N ATOM 878 CA SER A 68 3.277 -7.746 1.595 1.00 0.00 C ATOM 879 C SER A 68 4.307 -7.008 0.757 1.00 0.00 C ATOM 880 O SER A 68 4.970 -7.591 -0.101 1.00 0.00 O ATOM 881 CB SER A 68 3.930 -8.913 2.334 1.00 0.00 C ATOM 882 OG SER A 68 4.709 -9.705 1.455 1.00 0.00 O ATOM 0 H SER A 68 2.206 -9.193 0.516 1.00 0.00 H new ATOM 0 HA SER A 68 2.875 -7.055 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.559 -8.531 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.160 -9.530 2.798 1.00 0.00 H new ATOM 0 HG SER A 68 4.993 -9.162 0.690 1.00 0.00 H new ATOM 888 N VAL A 69 4.430 -5.713 1.021 1.00 0.00 N ATOM 889 CA VAL A 69 5.357 -4.851 0.303 1.00 0.00 C ATOM 890 C VAL A 69 6.684 -5.539 0.013 1.00 0.00 C ATOM 891 O VAL A 69 7.555 -5.606 0.875 1.00 0.00 O ATOM 892 CB VAL A 69 5.653 -3.578 1.108 1.00 0.00 C ATOM 893 CG1 VAL A 69 4.407 -2.724 1.254 1.00 0.00 C ATOM 894 CG2 VAL A 69 6.227 -3.928 2.473 1.00 0.00 C ATOM 0 H VAL A 69 3.889 -5.232 1.739 1.00 0.00 H new ATOM 0 HA VAL A 69 4.870 -4.606 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 69 6.396 -2.998 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.645 -1.829 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.045 -2.436 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.635 -3.293 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.430 -3.012 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.509 -4.535 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.154 -4.488 2.345 1.00 0.00 H new ATOM 904 N LYS A 70 6.850 -6.011 -1.213 1.00 0.00 N ATOM 905 CA LYS A 70 8.099 -6.649 -1.608 1.00 0.00 C ATOM 906 C LYS A 70 9.012 -5.655 -2.315 1.00 0.00 C ATOM 907 O LYS A 70 8.795 -5.315 -3.478 1.00 0.00 O ATOM 908 CB LYS A 70 7.841 -7.849 -2.515 1.00 0.00 C ATOM 909 CG LYS A 70 7.595 -9.142 -1.755 1.00 0.00 C ATOM 910 CD LYS A 70 8.816 -10.045 -1.794 1.00 0.00 C ATOM 911 CE LYS A 70 8.995 -10.801 -0.488 1.00 0.00 C ATOM 912 NZ LYS A 70 9.195 -12.259 -0.714 1.00 0.00 N ATOM 0 H LYS A 70 6.143 -5.966 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 70 8.591 -6.999 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.978 -7.638 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.696 -7.984 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.341 -8.915 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.740 -9.663 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.718 -10.755 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.705 -9.447 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.851 -10.396 0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.120 -10.648 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.313 -12.739 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.367 -12.651 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.045 -12.407 -1.295 1.00 0.00 H new ATOM 926 N CYS A 71 10.027 -5.181 -1.601 1.00 0.00 N ATOM 927 CA CYS A 71 10.984 -4.240 -2.164 1.00 0.00 C ATOM 928 C CYS A 71 12.187 -4.987 -2.714 1.00 0.00 C ATOM 929 O CYS A 71 12.870 -5.705 -1.985 1.00 0.00 O ATOM 930 CB CYS A 71 11.459 -3.213 -1.121 1.00 0.00 C ATOM 931 SG CYS A 71 10.526 -3.186 0.450 1.00 0.00 S ATOM 0 H CYS A 71 10.207 -5.434 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 71 10.478 -3.702 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.507 -3.410 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.410 -2.220 -1.568 1.00 0.00 H new ATOM 936 N GLN A 72 12.452 -4.803 -3.996 1.00 0.00 N ATOM 937 CA GLN A 72 13.586 -5.456 -4.629 1.00 0.00 C ATOM 938 C GLN A 72 14.890 -4.864 -4.101 1.00 0.00 C ATOM 939 O GLN A 72 14.929 -4.325 -2.995 1.00 0.00 O ATOM 940 CB GLN A 72 13.485 -5.340 -6.159 1.00 0.00 C ATOM 941 CG GLN A 72 14.089 -4.071 -6.745 1.00 0.00 C ATOM 942 CD GLN A 72 13.152 -3.366 -7.706 1.00 0.00 C ATOM 943 OE1 GLN A 72 13.446 -3.236 -8.894 1.00 0.00 O ATOM 944 NE2 GLN A 72 12.016 -2.906 -7.195 1.00 0.00 N ATOM 0 H GLN A 72 11.901 -4.210 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 72 13.576 -6.517 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.979 -6.202 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.434 -5.391 -6.444 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.351 -3.391 -5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.015 -4.320 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.813 -3.036 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.346 -2.423 -7.794 1.00 0.00 H new ATOM 953 N SER A 73 15.952 -4.962 -4.888 1.00 0.00 N ATOM 954 CA SER A 73 17.238 -4.428 -4.488 1.00 0.00 C ATOM 955 C SER A 73 17.104 -2.978 -4.026 1.00 0.00 C ATOM 956 O SER A 73 16.317 -2.212 -4.583 1.00 0.00 O ATOM 957 CB SER A 73 18.213 -4.517 -5.654 1.00 0.00 C ATOM 958 OG SER A 73 19.547 -4.659 -5.199 1.00 0.00 O ATOM 0 H SER A 73 15.945 -5.407 -5.806 1.00 0.00 H new ATOM 0 HA SER A 73 17.616 -5.018 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.950 -5.365 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.130 -3.621 -6.270 1.00 0.00 H new ATOM 0 HG SER A 73 20.116 -3.996 -5.642 1.00 0.00 H new ATOM 964 N PRO A 74 17.856 -2.586 -2.987 1.00 0.00 N ATOM 965 CA PRO A 74 17.812 -1.221 -2.452 1.00 0.00 C ATOM 966 C PRO A 74 18.189 -0.182 -3.507 1.00 0.00 C ATOM 967 O PRO A 74 18.748 -0.521 -4.550 1.00 0.00 O ATOM 968 CB PRO A 74 18.843 -1.234 -1.316 1.00 0.00 C ATOM 969 CG PRO A 74 19.062 -2.675 -0.996 1.00 0.00 C ATOM 970 CD PRO A 74 18.820 -3.432 -2.268 1.00 0.00 C ATOM 0 HA PRO A 74 16.811 -0.948 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 74 19.772 -0.754 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.476 -0.690 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 74 20.075 -2.842 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.382 -3.006 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.740 -3.567 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 74 18.417 -4.426 -2.074 1.00 0.00 H new ATOM 978 N PRO A 75 17.878 1.101 -3.255 1.00 0.00 N ATOM 979 CA PRO A 75 18.191 2.184 -4.186 1.00 0.00 C ATOM 980 C PRO A 75 19.578 2.044 -4.801 1.00 0.00 C ATOM 981 O PRO A 75 20.448 1.369 -4.251 1.00 0.00 O ATOM 982 CB PRO A 75 18.126 3.426 -3.301 1.00 0.00 C ATOM 983 CG PRO A 75 17.122 3.088 -2.252 1.00 0.00 C ATOM 984 CD PRO A 75 17.214 1.598 -2.034 1.00 0.00 C ATOM 0 HA PRO A 75 17.508 2.204 -5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 75 19.098 3.651 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.823 4.304 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.329 3.629 -1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.119 3.372 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.791 1.360 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.228 1.151 -1.905 1.00 0.00 H new ATOM 992 N SER A 76 19.778 2.694 -5.941 1.00 0.00 N ATOM 993 CA SER A 76 21.062 2.657 -6.627 1.00 0.00 C ATOM 994 C SER A 76 21.761 4.009 -6.527 1.00 0.00 C ATOM 995 O SER A 76 21.595 4.870 -7.391 1.00 0.00 O ATOM 996 CB SER A 76 20.870 2.274 -8.094 1.00 0.00 C ATOM 997 OG SER A 76 20.213 3.306 -8.810 1.00 0.00 O ATOM 0 H SER A 76 19.066 3.254 -6.410 1.00 0.00 H new ATOM 0 HA SER A 76 21.687 1.905 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.839 2.071 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 76 20.288 1.355 -8.160 1.00 0.00 H new ATOM 0 HG SER A 76 20.706 4.146 -8.700 1.00 0.00 H new ATOM 1003 N ILE A 77 22.537 4.192 -5.464 1.00 0.00 N ATOM 1004 CA ILE A 77 23.245 5.447 -5.245 1.00 0.00 C ATOM 1005 C ILE A 77 24.367 5.633 -6.257 1.00 0.00 C ATOM 1006 O ILE A 77 24.699 4.717 -7.010 1.00 0.00 O ATOM 1007 CB ILE A 77 23.834 5.528 -3.822 1.00 0.00 C ATOM 1008 CG1 ILE A 77 24.918 4.465 -3.620 1.00 0.00 C ATOM 1009 CG2 ILE A 77 22.730 5.376 -2.790 1.00 0.00 C ATOM 1010 CD1 ILE A 77 25.880 4.790 -2.498 1.00 0.00 C ATOM 0 H ILE A 77 22.691 3.488 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 77 22.511 6.243 -5.370 1.00 0.00 H new ATOM 0 HB ILE A 77 24.297 6.506 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.442 3.506 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 77 25.479 4.349 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 77 23.157 5.435 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 77 21.998 6.173 -2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 77 22.241 4.410 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 77 26.620 3.995 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 77 26.384 5.733 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 25.330 4.877 -1.561 1.00 0.00 H new ATOM 1022 N SER A 78 24.945 6.827 -6.268 1.00 0.00 N ATOM 1023 CA SER A 78 26.037 7.136 -7.181 1.00 0.00 C ATOM 1024 C SER A 78 27.380 6.806 -6.544 1.00 0.00 C ATOM 1025 O SER A 78 27.572 6.995 -5.343 1.00 0.00 O ATOM 1026 CB SER A 78 25.996 8.613 -7.580 1.00 0.00 C ATOM 1027 OG SER A 78 24.711 8.979 -8.054 1.00 0.00 O ATOM 0 H SER A 78 24.676 7.597 -5.655 1.00 0.00 H new ATOM 0 HA SER A 78 25.917 6.525 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 26.260 9.232 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 78 26.740 8.805 -8.353 1.00 0.00 H new ATOM 0 HG SER A 78 24.711 9.927 -8.301 1.00 0.00 H new ATOM 1033 N ASN A 79 28.302 6.301 -7.354 1.00 0.00 N ATOM 1034 CA ASN A 79 29.625 5.942 -6.868 1.00 0.00 C ATOM 1035 C ASN A 79 29.532 4.949 -5.717 1.00 0.00 C ATOM 1036 O ASN A 79 30.392 4.922 -4.837 1.00 0.00 O ATOM 1037 CB ASN A 79 30.378 7.193 -6.414 1.00 0.00 C ATOM 1038 CG ASN A 79 30.142 8.376 -7.329 1.00 0.00 C ATOM 1039 OD1 ASN A 79 30.503 8.347 -8.506 1.00 0.00 O ATOM 1040 ND2 ASN A 79 29.542 9.429 -6.791 1.00 0.00 N ATOM 0 H ASN A 79 28.157 6.132 -8.349 1.00 0.00 H new ATOM 0 HA ASN A 79 30.170 5.472 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 79 30.067 7.453 -5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 79 31.445 6.976 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 79 29.363 10.258 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 79 29.260 9.410 -5.811 1.00 0.00 H new ATOM 1047 N GLY A 80 28.481 4.135 -5.725 1.00 0.00 N ATOM 1048 CA GLY A 80 28.310 3.150 -4.674 1.00 0.00 C ATOM 1049 C GLY A 80 27.346 2.041 -5.044 1.00 0.00 C ATOM 1050 O GLY A 80 26.927 1.927 -6.196 1.00 0.00 O ATOM 0 H GLY A 80 27.749 4.140 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 80 29.279 2.714 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 80 27.952 3.648 -3.773 1.00 0.00 H new ATOM 1054 N ARG A 81 27.009 1.212 -4.061 1.00 0.00 N ATOM 1055 CA ARG A 81 26.104 0.093 -4.274 1.00 0.00 C ATOM 1056 C ARG A 81 25.580 -0.438 -2.947 1.00 0.00 C ATOM 1057 O ARG A 81 25.862 0.119 -1.886 1.00 0.00 O ATOM 1058 CB ARG A 81 26.811 -1.030 -5.039 1.00 0.00 C ATOM 1059 CG ARG A 81 28.270 -1.215 -4.652 1.00 0.00 C ATOM 1060 CD ARG A 81 29.064 -1.857 -5.777 1.00 0.00 C ATOM 1061 NE ARG A 81 30.489 -1.929 -5.469 1.00 0.00 N ATOM 1062 CZ ARG A 81 31.412 -2.318 -6.342 1.00 0.00 C ATOM 1063 NH1 ARG A 81 31.058 -2.667 -7.571 1.00 0.00 N ATOM 1064 NH2 ARG A 81 32.689 -2.357 -5.987 1.00 0.00 N ATOM 0 H ARG A 81 27.353 1.297 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 81 25.261 0.450 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 81 26.278 -1.965 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.752 -0.822 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.707 -0.248 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 81 28.335 -1.836 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.682 -2.861 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 81 28.920 -1.286 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 81 30.793 -1.666 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 81 30.076 -2.637 -7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 81 31.767 -2.965 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 81 32.964 -2.088 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 81 33.396 -2.656 -6.659 1.00 0.00 H new ATOM 1078 N HIS A 82 24.821 -1.521 -3.019 1.00 0.00 N ATOM 1079 CA HIS A 82 24.249 -2.136 -1.828 1.00 0.00 C ATOM 1080 C HIS A 82 24.769 -3.558 -1.642 1.00 0.00 C ATOM 1081 O HIS A 82 25.415 -4.114 -2.530 1.00 0.00 O ATOM 1082 CB HIS A 82 22.723 -2.141 -1.916 1.00 0.00 C ATOM 1083 CG HIS A 82 22.204 -2.401 -3.297 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.595 -1.432 -4.067 1.00 0.00 N ATOM 1085 CD2 HIS A 82 22.217 -3.526 -4.052 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.251 -1.950 -5.233 1.00 0.00 C ATOM 1087 NE2 HIS A 82 21.619 -3.218 -5.249 1.00 0.00 N ATOM 0 H HIS A 82 24.586 -1.994 -3.891 1.00 0.00 H new ATOM 0 HA HIS A 82 24.553 -1.546 -0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.331 -2.901 -1.240 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.344 -1.180 -1.569 1.00 0.00 H new ATOM 0 HD1 HIS A 82 21.435 -0.466 -3.781 1.00 0.00 H new ATOM 0 HD2 HIS A 82 22.622 -4.485 -3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.754 -1.426 -6.036 1.00 0.00 H new ATOM 1096 N ASN A 83 24.492 -4.136 -0.477 1.00 0.00 N ATOM 1097 CA ASN A 83 24.933 -5.494 -0.176 1.00 0.00 C ATOM 1098 C ASN A 83 23.804 -6.492 -0.412 1.00 0.00 C ATOM 1099 O ASN A 83 23.714 -7.100 -1.478 1.00 0.00 O ATOM 1100 CB ASN A 83 25.419 -5.588 1.272 1.00 0.00 C ATOM 1101 CG ASN A 83 26.760 -4.915 1.478 1.00 0.00 C ATOM 1102 OD1 ASN A 83 27.503 -4.679 0.525 1.00 0.00 O ATOM 1103 ND2 ASN A 83 27.079 -4.604 2.729 1.00 0.00 N ATOM 0 H ASN A 83 23.966 -3.687 0.272 1.00 0.00 H new ATOM 0 HA ASN A 83 25.759 -5.739 -0.843 1.00 0.00 H new ATOM 0 HB2 ASN A 83 24.681 -5.129 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 83 25.494 -6.637 1.559 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.970 -4.151 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.433 -4.818 3.488 1.00 0.00 H new ATOM 1110 N GLY A 84 22.944 -6.653 0.588 1.00 0.00 N ATOM 1111 CA GLY A 84 21.822 -7.561 0.459 1.00 0.00 C ATOM 1112 C GLY A 84 22.246 -9.007 0.293 1.00 0.00 C ATOM 1113 O GLY A 84 23.281 -9.294 -0.308 1.00 0.00 O ATOM 0 H GLY A 84 23.005 -6.171 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.187 -7.473 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.218 -7.264 -0.399 1.00 0.00 H new ATOM 1117 N TYR A 85 21.432 -9.920 0.814 1.00 0.00 N ATOM 1118 CA TYR A 85 21.711 -11.345 0.712 1.00 0.00 C ATOM 1119 C TYR A 85 20.695 -12.029 -0.192 1.00 0.00 C ATOM 1120 O TYR A 85 21.026 -12.951 -0.936 1.00 0.00 O ATOM 1121 CB TYR A 85 21.690 -11.987 2.100 1.00 0.00 C ATOM 1122 CG TYR A 85 22.281 -11.112 3.183 1.00 0.00 C ATOM 1123 CD1 TYR A 85 23.617 -11.228 3.544 1.00 0.00 C ATOM 1124 CD2 TYR A 85 21.501 -10.172 3.844 1.00 0.00 C ATOM 1125 CE1 TYR A 85 24.160 -10.430 4.533 1.00 0.00 C ATOM 1126 CE2 TYR A 85 22.036 -9.371 4.833 1.00 0.00 C ATOM 1127 CZ TYR A 85 23.366 -9.503 5.174 1.00 0.00 C ATOM 1128 OH TYR A 85 23.902 -8.707 6.160 1.00 0.00 O ATOM 0 H TYR A 85 20.571 -9.695 1.313 1.00 0.00 H new ATOM 0 HA TYR A 85 22.702 -11.470 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 85 20.660 -12.230 2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 85 22.240 -12.927 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 85 24.242 -11.953 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 85 20.459 -10.066 3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 85 25.201 -10.532 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 85 21.416 -8.644 5.337 1.00 0.00 H new ATOM 0 HH TYR A 85 23.210 -8.108 6.509 1.00 0.00 H new ATOM 1138 N GLU A 86 19.458 -11.557 -0.126 1.00 0.00 N ATOM 1139 CA GLU A 86 18.376 -12.110 -0.926 1.00 0.00 C ATOM 1140 C GLU A 86 18.152 -11.286 -2.190 1.00 0.00 C ATOM 1141 O GLU A 86 18.925 -10.378 -2.497 1.00 0.00 O ATOM 1142 CB GLU A 86 17.090 -12.154 -0.100 1.00 0.00 C ATOM 1143 CG GLU A 86 16.832 -13.503 0.546 1.00 0.00 C ATOM 1144 CD GLU A 86 15.515 -14.115 0.110 1.00 0.00 C ATOM 1145 OE1 GLU A 86 15.510 -15.306 -0.266 1.00 0.00 O ATOM 1146 OE2 GLU A 86 14.490 -13.403 0.143 1.00 0.00 O ATOM 0 H GLU A 86 19.178 -10.785 0.479 1.00 0.00 H new ATOM 0 HA GLU A 86 18.653 -13.122 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.140 -11.391 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.246 -11.900 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.646 -14.184 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.835 -13.389 1.630 1.00 0.00 H new ATOM 1153 N ASP A 87 17.086 -11.605 -2.915 1.00 0.00 N ATOM 1154 CA ASP A 87 16.758 -10.897 -4.147 1.00 0.00 C ATOM 1155 C ASP A 87 15.653 -9.871 -3.916 1.00 0.00 C ATOM 1156 O ASP A 87 15.527 -8.902 -4.663 1.00 0.00 O ATOM 1157 CB ASP A 87 16.329 -11.889 -5.230 1.00 0.00 C ATOM 1158 CG ASP A 87 17.480 -12.301 -6.125 1.00 0.00 C ATOM 1159 OD1 ASP A 87 17.533 -11.828 -7.280 1.00 0.00 O ATOM 1160 OD2 ASP A 87 18.331 -13.095 -5.671 1.00 0.00 O ATOM 0 H ASP A 87 16.434 -12.350 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 87 17.652 -10.368 -4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.903 -12.775 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.542 -11.442 -5.837 1.00 0.00 H new ATOM 1165 N PHE A 88 14.855 -10.092 -2.878 1.00 0.00 N ATOM 1166 CA PHE A 88 13.762 -9.184 -2.548 1.00 0.00 C ATOM 1167 C PHE A 88 13.782 -8.825 -1.066 1.00 0.00 C ATOM 1168 O PHE A 88 14.658 -9.267 -0.323 1.00 0.00 O ATOM 1169 CB PHE A 88 12.419 -9.814 -2.919 1.00 0.00 C ATOM 1170 CG PHE A 88 11.936 -9.431 -4.285 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.990 -8.434 -4.438 1.00 0.00 C ATOM 1172 CD2 PHE A 88 12.428 -10.065 -5.413 1.00 0.00 C ATOM 1173 CE1 PHE A 88 10.540 -8.074 -5.690 1.00 0.00 C ATOM 1174 CE2 PHE A 88 11.982 -9.711 -6.671 1.00 0.00 C ATOM 1175 CZ PHE A 88 11.036 -8.713 -6.811 1.00 0.00 C ATOM 0 H PHE A 88 14.944 -10.891 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 88 13.895 -8.268 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.508 -10.899 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.672 -9.519 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.599 -7.931 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 88 13.168 -10.844 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.801 -7.294 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.372 -10.213 -7.544 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.685 -8.433 -7.793 1.00 0.00 H new ATOM 1185 N TYR A 89 12.827 -8.000 -0.646 1.00 0.00 N ATOM 1186 CA TYR A 89 12.751 -7.571 0.748 1.00 0.00 C ATOM 1187 C TYR A 89 11.335 -7.145 1.107 1.00 0.00 C ATOM 1188 O TYR A 89 10.536 -6.831 0.229 1.00 0.00 O ATOM 1189 CB TYR A 89 13.717 -6.411 0.999 1.00 0.00 C ATOM 1190 CG TYR A 89 15.156 -6.733 0.671 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.634 -6.619 -0.628 1.00 0.00 C ATOM 1192 CD2 TYR A 89 16.038 -7.142 1.661 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.950 -6.906 -0.931 1.00 0.00 C ATOM 1194 CE2 TYR A 89 17.356 -7.433 1.366 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.806 -7.313 0.069 1.00 0.00 C ATOM 1196 OH TYR A 89 19.114 -7.603 -0.229 1.00 0.00 O ATOM 0 H TYR A 89 12.098 -7.616 -1.247 1.00 0.00 H new ATOM 0 HA TYR A 89 13.032 -8.416 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.402 -5.553 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.650 -6.115 2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.965 -6.301 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 89 15.689 -7.234 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.306 -6.812 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 89 18.030 -7.753 2.147 1.00 0.00 H new ATOM 0 HH TYR A 89 19.268 -7.470 -1.188 1.00 0.00 H new ATOM 1206 N THR A 90 11.031 -7.116 2.400 1.00 0.00 N ATOM 1207 CA THR A 90 9.699 -6.737 2.847 1.00 0.00 C ATOM 1208 C THR A 90 9.731 -5.915 4.128 1.00 0.00 C ATOM 1209 O THR A 90 10.795 -5.581 4.646 1.00 0.00 O ATOM 1210 CB THR A 90 8.844 -7.983 3.050 1.00 0.00 C ATOM 1211 OG1 THR A 90 9.586 -9.001 3.699 1.00 0.00 O ATOM 1212 CG2 THR A 90 8.325 -8.547 1.752 1.00 0.00 C ATOM 0 H THR A 90 11.683 -7.348 3.149 1.00 0.00 H new ATOM 0 HA THR A 90 9.262 -6.111 2.070 1.00 0.00 H new ATOM 0 HB THR A 90 7.999 -7.669 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.019 -9.791 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.723 -9.433 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.712 -7.799 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.164 -8.818 1.112 1.00 0.00 H new ATOM 1220 N ASP A 91 8.545 -5.580 4.622 1.00 0.00 N ATOM 1221 CA ASP A 91 8.410 -4.781 5.827 1.00 0.00 C ATOM 1222 C ASP A 91 9.254 -5.334 6.957 1.00 0.00 C ATOM 1223 O ASP A 91 8.823 -6.211 7.705 1.00 0.00 O ATOM 1224 CB ASP A 91 6.951 -4.715 6.266 1.00 0.00 C ATOM 1225 CG ASP A 91 6.385 -6.080 6.608 1.00 0.00 C ATOM 1226 OD1 ASP A 91 6.318 -6.410 7.810 1.00 0.00 O ATOM 1227 OD2 ASP A 91 6.008 -6.818 5.673 1.00 0.00 O ATOM 0 H ASP A 91 7.658 -5.854 4.200 1.00 0.00 H new ATOM 0 HA ASP A 91 8.763 -3.777 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.865 -4.062 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.355 -4.267 5.470 1.00 0.00 H new ATOM 1232 N GLY A 92 10.449 -4.791 7.088 1.00 0.00 N ATOM 1233 CA GLY A 92 11.327 -5.196 8.162 1.00 0.00 C ATOM 1234 C GLY A 92 12.661 -5.731 7.679 1.00 0.00 C ATOM 1235 O GLY A 92 13.314 -6.499 8.385 1.00 0.00 O ATOM 0 H GLY A 92 10.829 -4.075 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.502 -4.344 8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.831 -5.962 8.758 1.00 0.00 H new ATOM 1239 N SER A 93 13.076 -5.330 6.481 1.00 0.00 N ATOM 1240 CA SER A 93 14.353 -5.783 5.941 1.00 0.00 C ATOM 1241 C SER A 93 15.358 -4.639 5.898 1.00 0.00 C ATOM 1242 O SER A 93 14.989 -3.481 5.709 1.00 0.00 O ATOM 1243 CB SER A 93 14.171 -6.374 4.542 1.00 0.00 C ATOM 1244 OG SER A 93 12.843 -6.821 4.342 1.00 0.00 O ATOM 0 H SER A 93 12.554 -4.700 5.872 1.00 0.00 H new ATOM 0 HA SER A 93 14.739 -6.561 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.421 -5.623 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.862 -7.206 4.403 1.00 0.00 H new ATOM 0 HG SER A 93 12.246 -6.048 4.263 1.00 0.00 H new ATOM 1250 N VAL A 94 16.630 -4.970 6.087 1.00 0.00 N ATOM 1251 CA VAL A 94 17.686 -3.968 6.073 1.00 0.00 C ATOM 1252 C VAL A 94 18.813 -4.371 5.127 1.00 0.00 C ATOM 1253 O VAL A 94 18.964 -5.544 4.783 1.00 0.00 O ATOM 1254 CB VAL A 94 18.261 -3.734 7.488 1.00 0.00 C ATOM 1255 CG1 VAL A 94 17.180 -3.209 8.418 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.442 -2.772 7.450 1.00 0.00 C ATOM 0 H VAL A 94 16.954 -5.923 6.251 1.00 0.00 H new ATOM 0 HA VAL A 94 17.239 -3.039 5.719 1.00 0.00 H new ATOM 0 HB VAL A 94 18.618 -4.691 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.600 -3.049 9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.794 -2.266 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.369 -3.935 8.480 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.826 -2.627 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.229 -3.186 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.118 -1.814 7.044 1.00 0.00 H new ATOM 1266 N VAL A 95 19.605 -3.386 4.719 1.00 0.00 N ATOM 1267 CA VAL A 95 20.729 -3.621 3.824 1.00 0.00 C ATOM 1268 C VAL A 95 21.819 -2.585 4.055 1.00 0.00 C ATOM 1269 O VAL A 95 21.535 -1.446 4.426 1.00 0.00 O ATOM 1270 CB VAL A 95 20.295 -3.573 2.349 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.427 -4.014 1.438 1.00 0.00 C ATOM 1272 CG2 VAL A 95 19.066 -4.434 2.124 1.00 0.00 C ATOM 0 H VAL A 95 19.487 -2.412 4.997 1.00 0.00 H new ATOM 0 HA VAL A 95 21.114 -4.617 4.043 1.00 0.00 H new ATOM 0 HB VAL A 95 20.042 -2.541 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.096 -3.972 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.282 -3.352 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.716 -5.035 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.775 -4.386 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 95 19.291 -5.466 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.247 -4.069 2.744 1.00 0.00 H new ATOM 1282 N THR A 96 23.064 -2.986 3.845 1.00 0.00 N ATOM 1283 CA THR A 96 24.189 -2.085 4.042 1.00 0.00 C ATOM 1284 C THR A 96 24.798 -1.672 2.711 1.00 0.00 C ATOM 1285 O THR A 96 25.159 -2.512 1.886 1.00 0.00 O ATOM 1286 CB THR A 96 25.246 -2.738 4.930 1.00 0.00 C ATOM 1287 OG1 THR A 96 25.036 -4.137 5.015 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.258 -2.186 6.339 1.00 0.00 C ATOM 0 H THR A 96 23.320 -3.925 3.540 1.00 0.00 H new ATOM 0 HA THR A 96 23.820 -1.188 4.539 1.00 0.00 H new ATOM 0 HB THR A 96 26.203 -2.514 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 96 25.845 -4.569 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 96 26.030 -2.690 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.466 -1.116 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.286 -2.354 6.804 1.00 0.00 H new ATOM 1296 N TYR A 97 24.901 -0.366 2.511 1.00 0.00 N ATOM 1297 CA TYR A 97 25.434 0.185 1.274 1.00 0.00 C ATOM 1298 C TYR A 97 26.957 0.240 1.293 1.00 0.00 C ATOM 1299 O TYR A 97 27.581 0.178 2.352 1.00 0.00 O ATOM 1300 CB TYR A 97 24.865 1.583 1.049 1.00 0.00 C ATOM 1301 CG TYR A 97 23.548 1.583 0.315 1.00 0.00 C ATOM 1302 CD1 TYR A 97 22.505 0.766 0.731 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.343 2.400 -0.790 1.00 0.00 C ATOM 1304 CE1 TYR A 97 21.296 0.762 0.068 1.00 0.00 C ATOM 1305 CE2 TYR A 97 22.135 2.402 -1.457 1.00 0.00 C ATOM 1306 CZ TYR A 97 21.115 1.583 -1.023 1.00 0.00 C ATOM 1307 OH TYR A 97 19.915 1.578 -1.691 1.00 0.00 O ATOM 0 H TYR A 97 24.620 0.336 3.195 1.00 0.00 H new ATOM 0 HA TYR A 97 25.136 -0.471 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 97 24.735 2.074 2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 97 25.587 2.174 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 97 22.643 0.123 1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 97 24.141 3.043 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR A 97 20.495 0.119 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.990 3.042 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 97 20.028 1.148 -2.564 1.00 0.00 H new ATOM 1317 N SER A 98 27.550 0.360 0.110 1.00 0.00 N ATOM 1318 CA SER A 98 29.004 0.425 -0.008 1.00 0.00 C ATOM 1319 C SER A 98 29.426 1.144 -1.286 1.00 0.00 C ATOM 1320 O SER A 98 28.845 0.934 -2.349 1.00 0.00 O ATOM 1321 CB SER A 98 29.600 -0.983 0.015 1.00 0.00 C ATOM 1322 OG SER A 98 29.526 -1.590 -1.263 1.00 0.00 O ATOM 0 H SER A 98 27.050 0.414 -0.777 1.00 0.00 H new ATOM 0 HA SER A 98 29.382 0.992 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.640 -0.936 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.067 -1.595 0.743 1.00 0.00 H new ATOM 0 HG SER A 98 29.915 -2.488 -1.221 1.00 0.00 H new ATOM 1328 N CYS A 99 30.452 1.987 -1.176 1.00 0.00 N ATOM 1329 CA CYS A 99 30.959 2.727 -2.324 1.00 0.00 C ATOM 1330 C CYS A 99 31.661 1.792 -3.304 1.00 0.00 C ATOM 1331 O CYS A 99 32.103 0.705 -2.930 1.00 0.00 O ATOM 1332 CB CYS A 99 31.921 3.821 -1.868 1.00 0.00 C ATOM 1333 SG CYS A 99 31.162 5.073 -0.782 1.00 0.00 S ATOM 0 H CYS A 99 30.946 2.172 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 99 30.112 3.188 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 99 32.757 3.359 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 99 32.332 4.318 -2.747 1.00 0.00 H new ATOM 1338 N ASN A 100 31.772 2.224 -4.557 1.00 0.00 N ATOM 1339 CA ASN A 100 32.410 1.417 -5.589 1.00 0.00 C ATOM 1340 C ASN A 100 33.899 1.733 -5.703 1.00 0.00 C ATOM 1341 O ASN A 100 34.745 0.915 -5.343 1.00 0.00 O ATOM 1342 CB ASN A 100 31.721 1.651 -6.933 1.00 0.00 C ATOM 1343 CG ASN A 100 30.212 1.592 -6.824 1.00 0.00 C ATOM 1344 OD1 ASN A 100 29.660 0.728 -6.143 1.00 0.00 O ATOM 1345 ND2 ASN A 100 29.534 2.516 -7.494 1.00 0.00 N ATOM 0 H ASN A 100 31.428 3.128 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 100 32.310 0.369 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 100 32.017 2.624 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 100 32.061 0.902 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 100 28.515 2.528 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 100 30.032 3.214 -8.046 1.00 0.00 H new ATOM 1352 N SER A 101 34.214 2.917 -6.221 1.00 0.00 N ATOM 1353 CA SER A 101 35.601 3.331 -6.401 1.00 0.00 C ATOM 1354 C SER A 101 36.326 3.440 -5.062 1.00 0.00 C ATOM 1355 O SER A 101 37.553 3.368 -5.004 1.00 0.00 O ATOM 1356 CB SER A 101 35.662 4.672 -7.135 1.00 0.00 C ATOM 1357 OG SER A 101 36.113 4.504 -8.468 1.00 0.00 O ATOM 0 H SER A 101 33.526 3.607 -6.524 1.00 0.00 H new ATOM 0 HA SER A 101 36.101 2.569 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 101 34.675 5.134 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 101 36.330 5.350 -6.605 1.00 0.00 H new ATOM 0 HG SER A 101 36.141 5.375 -8.916 1.00 0.00 H new ATOM 1363 N GLY A 102 35.562 3.621 -3.991 1.00 0.00 N ATOM 1364 CA GLY A 102 36.155 3.736 -2.670 1.00 0.00 C ATOM 1365 C GLY A 102 35.801 5.041 -1.983 1.00 0.00 C ATOM 1366 O GLY A 102 36.582 5.562 -1.186 1.00 0.00 O ATOM 0 H GLY A 102 34.545 3.690 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.821 2.902 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 102 37.239 3.656 -2.754 1.00 0.00 H new ATOM 1370 N TYR A 103 34.616 5.562 -2.280 1.00 0.00 N ATOM 1371 CA TYR A 103 34.152 6.804 -1.688 1.00 0.00 C ATOM 1372 C TYR A 103 33.849 6.620 -0.208 1.00 0.00 C ATOM 1373 O TYR A 103 34.071 5.549 0.357 1.00 0.00 O ATOM 1374 CB TYR A 103 32.891 7.283 -2.411 1.00 0.00 C ATOM 1375 CG TYR A 103 33.171 8.118 -3.640 1.00 0.00 C ATOM 1376 CD1 TYR A 103 33.268 7.531 -4.895 1.00 0.00 C ATOM 1377 CD2 TYR A 103 33.334 9.496 -3.546 1.00 0.00 C ATOM 1378 CE1 TYR A 103 33.520 8.290 -6.022 1.00 0.00 C ATOM 1379 CE2 TYR A 103 33.586 10.262 -4.669 1.00 0.00 C ATOM 1380 CZ TYR A 103 33.680 9.655 -5.903 1.00 0.00 C ATOM 1381 OH TYR A 103 33.933 10.414 -7.022 1.00 0.00 O ATOM 0 H TYR A 103 33.957 5.137 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 103 34.941 7.548 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 103 32.298 6.415 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 103 32.285 7.866 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 103 33.144 6.462 -4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 103 33.263 9.975 -2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 103 33.591 7.817 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 103 33.709 11.331 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 103 34.018 11.356 -6.766 1.00 0.00 H new ATOM 1391 N SER A 104 33.331 7.671 0.408 1.00 0.00 N ATOM 1392 CA SER A 104 32.958 7.629 1.815 1.00 0.00 C ATOM 1393 C SER A 104 31.443 7.672 1.956 1.00 0.00 C ATOM 1394 O SER A 104 30.831 8.737 1.884 1.00 0.00 O ATOM 1395 CB SER A 104 33.587 8.797 2.574 1.00 0.00 C ATOM 1396 OG SER A 104 34.872 9.106 2.061 1.00 0.00 O ATOM 0 H SER A 104 33.158 8.568 -0.046 1.00 0.00 H new ATOM 0 HA SER A 104 33.329 6.698 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 104 32.942 9.673 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 104 33.665 8.547 3.632 1.00 0.00 H new ATOM 0 HG SER A 104 35.252 9.857 2.562 1.00 0.00 H new ATOM 1402 N LEU A 105 30.840 6.502 2.132 1.00 0.00 N ATOM 1403 CA LEU A 105 29.396 6.397 2.234 1.00 0.00 C ATOM 1404 C LEU A 105 28.828 7.401 3.220 1.00 0.00 C ATOM 1405 O LEU A 105 29.311 7.545 4.343 1.00 0.00 O ATOM 1406 CB LEU A 105 28.974 4.989 2.620 1.00 0.00 C ATOM 1407 CG LEU A 105 27.709 4.512 1.912 1.00 0.00 C ATOM 1408 CD1 LEU A 105 28.039 3.443 0.888 1.00 0.00 C ATOM 1409 CD2 LEU A 105 26.693 4.007 2.916 1.00 0.00 C ATOM 0 H LEU A 105 31.334 5.612 2.207 1.00 0.00 H new ATOM 0 HA LEU A 105 28.990 6.625 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 105 29.788 4.300 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.814 4.950 3.697 1.00 0.00 H new ATOM 0 HG LEU A 105 27.270 5.359 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 105 27.123 3.117 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.726 3.850 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 105 28.505 2.593 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 105 25.798 3.672 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.118 3.175 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 105 26.430 4.811 3.604 1.00 0.00 H new ATOM 1421 N ILE A 106 27.786 8.080 2.778 1.00 0.00 N ATOM 1422 CA ILE A 106 27.128 9.099 3.572 1.00 0.00 C ATOM 1423 C ILE A 106 25.705 8.681 3.932 1.00 0.00 C ATOM 1424 O ILE A 106 25.090 7.882 3.233 1.00 0.00 O ATOM 1425 CB ILE A 106 27.090 10.425 2.797 1.00 0.00 C ATOM 1426 CG1 ILE A 106 28.510 10.888 2.486 1.00 0.00 C ATOM 1427 CG2 ILE A 106 26.338 11.489 3.579 1.00 0.00 C ATOM 1428 CD1 ILE A 106 29.310 11.250 3.716 1.00 0.00 C ATOM 0 H ILE A 106 27.372 7.940 1.857 1.00 0.00 H new ATOM 0 HA ILE A 106 27.696 9.227 4.493 1.00 0.00 H new ATOM 0 HB ILE A 106 26.560 10.263 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 106 29.030 10.099 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 106 28.465 11.753 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 106 26.325 12.418 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 106 25.315 11.157 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 106 26.834 11.656 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 106 30.309 11.570 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 106 28.812 12.061 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 106 29.387 10.381 4.369 1.00 0.00 H new ATOM 1440 N GLY A 107 25.184 9.236 5.020 1.00 0.00 N ATOM 1441 CA GLY A 107 23.828 8.915 5.437 1.00 0.00 C ATOM 1442 C GLY A 107 23.680 7.491 5.926 1.00 0.00 C ATOM 1443 O GLY A 107 22.593 6.915 5.883 1.00 0.00 O ATOM 0 H GLY A 107 25.672 9.900 5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 107 23.527 9.599 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 107 23.149 9.078 4.600 1.00 0.00 H new ATOM 1447 N ASN A 108 24.785 6.928 6.367 1.00 0.00 N ATOM 1448 CA ASN A 108 24.817 5.564 6.878 1.00 0.00 C ATOM 1449 C ASN A 108 24.381 4.560 5.819 1.00 0.00 C ATOM 1450 O ASN A 108 23.398 4.766 5.110 1.00 0.00 O ATOM 1451 CB ASN A 108 23.925 5.445 8.103 1.00 0.00 C ATOM 1452 CG ASN A 108 24.689 5.011 9.339 1.00 0.00 C ATOM 1453 OD1 ASN A 108 24.410 3.962 9.919 1.00 0.00 O ATOM 1454 ND2 ASN A 108 25.660 5.819 9.748 1.00 0.00 N ATOM 0 H ASN A 108 25.690 7.399 6.384 1.00 0.00 H new ATOM 0 HA ASN A 108 25.846 5.335 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 108 23.446 6.405 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 108 23.130 4.727 7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 108 26.209 5.580 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 108 25.857 6.679 9.236 1.00 0.00 H new ATOM 1461 N SER A 109 25.116 3.463 5.743 1.00 0.00 N ATOM 1462 CA SER A 109 24.850 2.415 4.772 1.00 0.00 C ATOM 1463 C SER A 109 23.562 1.666 5.088 1.00 0.00 C ATOM 1464 O SER A 109 22.947 1.069 4.205 1.00 0.00 O ATOM 1465 CB SER A 109 26.033 1.449 4.741 1.00 0.00 C ATOM 1466 OG SER A 109 25.791 0.301 5.534 1.00 0.00 O ATOM 0 H SER A 109 25.912 3.274 6.352 1.00 0.00 H new ATOM 0 HA SER A 109 24.722 2.876 3.793 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.229 1.146 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.928 1.957 5.100 1.00 0.00 H new ATOM 0 HG SER A 109 26.217 0.412 6.409 1.00 0.00 H new ATOM 1472 N GLY A 110 23.167 1.693 6.350 1.00 0.00 N ATOM 1473 CA GLY A 110 21.963 0.997 6.761 1.00 0.00 C ATOM 1474 C GLY A 110 20.711 1.557 6.114 1.00 0.00 C ATOM 1475 O GLY A 110 20.403 2.741 6.259 1.00 0.00 O ATOM 0 H GLY A 110 23.657 2.183 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.055 -0.059 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 110 21.865 1.059 7.845 1.00 0.00 H new ATOM 1479 N VAL A 111 19.989 0.702 5.395 1.00 0.00 N ATOM 1480 CA VAL A 111 18.748 1.101 4.737 1.00 0.00 C ATOM 1481 C VAL A 111 17.595 0.232 5.221 1.00 0.00 C ATOM 1482 O VAL A 111 17.768 -0.963 5.449 1.00 0.00 O ATOM 1483 CB VAL A 111 18.847 0.995 3.206 1.00 0.00 C ATOM 1484 CG1 VAL A 111 17.773 1.841 2.536 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.232 1.400 2.725 1.00 0.00 C ATOM 0 H VAL A 111 20.243 -0.276 5.253 1.00 0.00 H new ATOM 0 HA VAL A 111 18.568 2.144 4.997 1.00 0.00 H new ATOM 0 HB VAL A 111 18.683 -0.046 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 111 17.862 1.751 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 111 16.788 1.494 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 111 17.899 2.884 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.279 1.317 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 111 20.433 2.430 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 111 20.979 0.743 3.171 1.00 0.00 H new ATOM 1495 N LEU A 112 16.426 0.835 5.395 1.00 0.00 N ATOM 1496 CA LEU A 112 15.263 0.100 5.877 1.00 0.00 C ATOM 1497 C LEU A 112 14.295 -0.218 4.745 1.00 0.00 C ATOM 1498 O LEU A 112 13.921 0.661 3.969 1.00 0.00 O ATOM 1499 CB LEU A 112 14.539 0.904 6.964 1.00 0.00 C ATOM 1500 CG LEU A 112 13.147 0.392 7.344 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.125 0.892 6.345 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.128 -1.128 7.422 1.00 0.00 C ATOM 0 H LEU A 112 16.258 1.824 5.211 1.00 0.00 H new ATOM 0 HA LEU A 112 15.619 -0.841 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.161 0.914 7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.448 1.937 6.628 1.00 0.00 H new ATOM 0 HG LEU A 112 12.892 0.777 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.137 0.524 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.120 1.982 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.382 0.530 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.128 -1.466 7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.401 -1.545 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.841 -1.463 8.175 1.00 0.00 H new ATOM 1514 N CYS A 113 13.856 -1.470 4.688 1.00 0.00 N ATOM 1515 CA CYS A 113 12.884 -1.893 3.692 1.00 0.00 C ATOM 1516 C CYS A 113 11.514 -2.058 4.337 1.00 0.00 C ATOM 1517 O CYS A 113 11.275 -3.034 5.051 1.00 0.00 O ATOM 1518 CB CYS A 113 13.294 -3.219 3.059 1.00 0.00 C ATOM 1519 SG CYS A 113 12.096 -3.853 1.841 1.00 0.00 S ATOM 0 H CYS A 113 14.159 -2.209 5.322 1.00 0.00 H new ATOM 0 HA CYS A 113 12.842 -1.126 2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.262 -3.095 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.426 -3.962 3.846 1.00 0.00 H new ATOM 1524 N SER A 114 10.620 -1.108 4.097 1.00 0.00 N ATOM 1525 CA SER A 114 9.284 -1.173 4.677 1.00 0.00 C ATOM 1526 C SER A 114 8.331 -0.189 4.009 1.00 0.00 C ATOM 1527 O SER A 114 8.537 1.023 4.058 1.00 0.00 O ATOM 1528 CB SER A 114 9.349 -0.893 6.179 1.00 0.00 C ATOM 1529 OG SER A 114 9.375 0.501 6.438 1.00 0.00 O ATOM 0 H SER A 114 10.792 -0.291 3.511 1.00 0.00 H new ATOM 0 HA SER A 114 8.900 -2.179 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.487 -1.342 6.673 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.238 -1.361 6.601 1.00 0.00 H new ATOM 0 HG SER A 114 9.463 0.989 5.593 1.00 0.00 H new ATOM 1535 N GLY A 115 7.270 -0.721 3.411 1.00 0.00 N ATOM 1536 CA GLY A 115 6.286 0.124 2.759 1.00 0.00 C ATOM 1537 C GLY A 115 6.434 0.137 1.253 1.00 0.00 C ATOM 1538 O GLY A 115 5.954 1.051 0.582 1.00 0.00 O ATOM 0 H GLY A 115 7.074 -1.721 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.286 -0.223 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.379 1.142 3.138 1.00 0.00 H new ATOM 1542 N GLY A 116 7.087 -0.886 0.719 1.00 0.00 N ATOM 1543 CA GLY A 116 7.293 -0.968 -0.713 1.00 0.00 C ATOM 1544 C GLY A 116 8.457 -0.118 -1.181 1.00 0.00 C ATOM 1545 O GLY A 116 8.741 -0.051 -2.377 1.00 0.00 O ATOM 0 H GLY A 116 7.478 -1.662 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.470 -2.007 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.385 -0.650 -1.226 1.00 0.00 H new ATOM 1549 N GLU A 117 9.137 0.532 -0.240 1.00 0.00 N ATOM 1550 CA GLU A 117 10.273 1.379 -0.575 1.00 0.00 C ATOM 1551 C GLU A 117 11.342 1.326 0.509 1.00 0.00 C ATOM 1552 O GLU A 117 11.124 0.783 1.592 1.00 0.00 O ATOM 1553 CB GLU A 117 9.817 2.825 -0.773 1.00 0.00 C ATOM 1554 CG GLU A 117 9.135 3.073 -2.109 1.00 0.00 C ATOM 1555 CD GLU A 117 9.864 4.098 -2.955 1.00 0.00 C ATOM 1556 OE1 GLU A 117 9.202 4.775 -3.769 1.00 0.00 O ATOM 1557 OE2 GLU A 117 11.098 4.226 -2.802 1.00 0.00 O ATOM 0 H GLU A 117 8.921 0.487 0.756 1.00 0.00 H new ATOM 0 HA GLU A 117 10.703 1.003 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 117 9.131 3.094 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.681 3.484 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.069 2.134 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.114 3.412 -1.934 1.00 0.00 H new ATOM 1564 N TRP A 118 12.496 1.907 0.207 1.00 0.00 N ATOM 1565 CA TRP A 118 13.607 1.956 1.143 1.00 0.00 C ATOM 1566 C TRP A 118 13.732 3.349 1.744 1.00 0.00 C ATOM 1567 O TRP A 118 13.473 4.348 1.072 1.00 0.00 O ATOM 1568 CB TRP A 118 14.901 1.580 0.431 1.00 0.00 C ATOM 1569 CG TRP A 118 14.930 0.163 -0.050 1.00 0.00 C ATOM 1570 CD1 TRP A 118 14.455 -0.308 -1.240 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.479 -0.966 0.638 1.00 0.00 C ATOM 1572 NE1 TRP A 118 14.677 -1.659 -1.334 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.301 -2.086 -0.193 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.101 -1.139 1.877 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.722 -3.360 0.174 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.525 -2.405 2.239 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.330 -3.501 1.391 1.00 0.00 C ATOM 0 H TRP A 118 12.686 2.355 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 118 13.420 1.244 1.947 1.00 0.00 H new ATOM 0 HB2 TRP A 118 15.045 2.247 -0.419 1.00 0.00 H new ATOM 0 HB3 TRP A 118 15.739 1.742 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 118 13.975 0.294 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.419 -2.249 -2.125 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.248 -0.299 2.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.574 -4.208 -0.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.014 -2.550 3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.667 -4.478 1.704 1.00 0.00 H new ATOM 1588 N SER A 119 14.125 3.416 3.009 1.00 0.00 N ATOM 1589 CA SER A 119 14.265 4.697 3.688 1.00 0.00 C ATOM 1590 C SER A 119 15.681 4.897 4.217 1.00 0.00 C ATOM 1591 O SER A 119 16.370 3.938 4.568 1.00 0.00 O ATOM 1592 CB SER A 119 13.263 4.801 4.838 1.00 0.00 C ATOM 1593 OG SER A 119 12.486 3.622 4.947 1.00 0.00 O ATOM 0 H SER A 119 14.351 2.604 3.583 1.00 0.00 H new ATOM 0 HA SER A 119 14.061 5.481 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.795 4.977 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.609 5.658 4.678 1.00 0.00 H new ATOM 0 HG SER A 119 11.660 3.819 5.437 1.00 0.00 H new ATOM 1599 N ASP A 120 16.100 6.155 4.272 1.00 0.00 N ATOM 1600 CA ASP A 120 17.420 6.514 4.776 1.00 0.00 C ATOM 1601 C ASP A 120 18.544 5.983 3.883 1.00 0.00 C ATOM 1602 O ASP A 120 19.549 5.476 4.382 1.00 0.00 O ATOM 1603 CB ASP A 120 17.596 5.986 6.202 1.00 0.00 C ATOM 1604 CG ASP A 120 17.956 7.083 7.184 1.00 0.00 C ATOM 1605 OD1 ASP A 120 18.642 8.043 6.776 1.00 0.00 O ATOM 1606 OD2 ASP A 120 17.550 6.982 8.361 1.00 0.00 O ATOM 0 H ASP A 120 15.538 6.951 3.970 1.00 0.00 H new ATOM 0 HA ASP A 120 17.485 7.602 4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 120 16.674 5.502 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.375 5.224 6.211 1.00 0.00 H new ATOM 1611 N PRO A 121 18.417 6.124 2.549 1.00 0.00 N ATOM 1612 CA PRO A 121 19.458 5.686 1.614 1.00 0.00 C ATOM 1613 C PRO A 121 20.700 6.569 1.707 1.00 0.00 C ATOM 1614 O PRO A 121 20.594 7.780 1.905 1.00 0.00 O ATOM 1615 CB PRO A 121 18.796 5.828 0.244 1.00 0.00 C ATOM 1616 CG PRO A 121 17.761 6.883 0.436 1.00 0.00 C ATOM 1617 CD PRO A 121 17.271 6.735 1.852 1.00 0.00 C ATOM 0 HA PRO A 121 19.802 4.673 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.520 6.116 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.349 4.888 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.181 7.875 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.943 6.760 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 121 17.003 7.698 2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 121 16.385 6.103 1.906 1.00 0.00 H new ATOM 1625 N PRO A 122 21.898 5.977 1.576 1.00 0.00 N ATOM 1626 CA PRO A 122 23.152 6.707 1.696 1.00 0.00 C ATOM 1627 C PRO A 122 23.661 7.269 0.381 1.00 0.00 C ATOM 1628 O PRO A 122 22.989 7.210 -0.648 1.00 0.00 O ATOM 1629 CB PRO A 122 24.115 5.641 2.204 1.00 0.00 C ATOM 1630 CG PRO A 122 23.586 4.346 1.684 1.00 0.00 C ATOM 1631 CD PRO A 122 22.126 4.539 1.367 1.00 0.00 C ATOM 0 HA PRO A 122 23.041 7.578 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 122 25.128 5.824 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 122 24.159 5.638 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 122 24.133 4.040 0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 122 23.715 3.556 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 122 21.899 4.245 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 122 21.494 3.937 2.019 1.00 0.00 H new ATOM 1639 N THR A 123 24.869 7.806 0.440 1.00 0.00 N ATOM 1640 CA THR A 123 25.534 8.368 -0.726 1.00 0.00 C ATOM 1641 C THR A 123 26.984 7.907 -0.760 1.00 0.00 C ATOM 1642 O THR A 123 27.336 6.904 -0.141 1.00 0.00 O ATOM 1643 CB THR A 123 25.467 9.897 -0.692 1.00 0.00 C ATOM 1644 OG1 THR A 123 24.444 10.334 0.185 1.00 0.00 O ATOM 1645 CG2 THR A 123 25.208 10.517 -2.047 1.00 0.00 C ATOM 0 H THR A 123 25.417 7.865 1.298 1.00 0.00 H new ATOM 0 HA THR A 123 25.026 8.020 -1.626 1.00 0.00 H new ATOM 0 HB THR A 123 26.449 10.221 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 123 24.418 11.314 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 123 25.173 11.602 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 123 26.008 10.240 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 123 24.256 10.156 -2.436 1.00 0.00 H new ATOM 1653 N CYS A 124 27.829 8.644 -1.467 1.00 0.00 N ATOM 1654 CA CYS A 124 29.241 8.303 -1.535 1.00 0.00 C ATOM 1655 C CYS A 124 30.081 9.529 -1.861 1.00 0.00 C ATOM 1656 O CYS A 124 30.340 9.831 -3.027 1.00 0.00 O ATOM 1657 CB CYS A 124 29.481 7.202 -2.570 1.00 0.00 C ATOM 1658 SG CYS A 124 29.332 5.515 -1.901 1.00 0.00 S ATOM 0 H CYS A 124 27.564 9.474 -1.997 1.00 0.00 H new ATOM 0 HA CYS A 124 29.545 7.931 -0.556 1.00 0.00 H new ATOM 0 HB2 CYS A 124 28.769 7.323 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 124 30.477 7.327 -2.995 1.00 0.00 H new ATOM 1663 N GLN A 125 30.497 10.236 -0.818 1.00 0.00 N ATOM 1664 CA GLN A 125 31.308 11.429 -0.975 1.00 0.00 C ATOM 1665 C GLN A 125 32.703 11.208 -0.412 1.00 0.00 C ATOM 1666 O GLN A 125 32.930 10.299 0.386 1.00 0.00 O ATOM 1667 CB GLN A 125 30.648 12.615 -0.270 1.00 0.00 C ATOM 1668 CG GLN A 125 29.701 13.398 -1.162 1.00 0.00 C ATOM 1669 CD GLN A 125 28.676 14.187 -0.373 1.00 0.00 C ATOM 1670 OE1 GLN A 125 28.982 15.240 0.186 1.00 0.00 O ATOM 1671 NE2 GLN A 125 27.450 13.680 -0.323 1.00 0.00 N ATOM 0 H GLN A 125 30.282 9.999 0.151 1.00 0.00 H new ATOM 0 HA GLN A 125 31.391 11.647 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 125 30.099 12.252 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.424 13.285 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 125 30.277 14.081 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 125 29.187 12.710 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 125 27.241 12.804 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN A 125 26.718 14.167 0.194 1.00 0.00 H new ATOM 1680 N ILE A 126 33.632 12.051 -0.832 1.00 0.00 N ATOM 1681 CA ILE A 126 35.011 11.961 -0.376 1.00 0.00 C ATOM 1682 C ILE A 126 35.223 12.791 0.885 1.00 0.00 C ATOM 1683 O ILE A 126 35.992 13.752 0.889 1.00 0.00 O ATOM 1684 CB ILE A 126 35.988 12.430 -1.469 1.00 0.00 C ATOM 1685 CG1 ILE A 126 35.811 11.581 -2.726 1.00 0.00 C ATOM 1686 CG2 ILE A 126 37.425 12.362 -0.974 1.00 0.00 C ATOM 1687 CD1 ILE A 126 36.337 10.170 -2.583 1.00 0.00 C ATOM 0 H ILE A 126 33.456 12.809 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 126 35.211 10.914 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 126 35.766 13.469 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 126 34.752 11.541 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 126 36.321 12.067 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 126 38.098 12.698 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 126 37.540 13.004 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 126 37.668 11.335 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 126 36.177 9.626 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 126 37.403 10.200 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 126 35.810 9.666 -1.773 1.00 0.00 H new TER 1699 ILE A 126