USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 834 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 84 ASN : amide:sc= -2.47! C(o=-1.4!,f=-1.5!) USER MOD Set 1.2: A 86 TYR OH : rot -156:sc= 1.1 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -147:sc= 1.17 (180deg=-0.421) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc=-0.00632 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 152:sc= 1.16 (180deg=0.799) USER MOD Set 3.2: A 81 SER OG : rot 123:sc= 1.22 USER MOD Set 4.1: A 31 ASN : amide:sc= 0.564 K(o=1.6,f=-4.4!) USER MOD Set 4.2: A 32 ASN : amide:sc= 1.06 K(o=1.6,f=-0.35) USER MOD Set 5.1: A 24 HIS : no HE2:sc= 0.0104 X(o=1.7,f=1.6) USER MOD Set 5.2: A 39 LYS NZ :NH3+ 146:sc= 0.943 (180deg=-0.323) USER MOD Set 5.3: A 50 TYR OH : rot 168:sc= 0.729 USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.654 (180deg=0.278) USER MOD Single : A 6 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.7!) USER MOD Single : A 9 HIS : no HE2:sc= -0.47! C(o=-0.47!,f=-13!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.145 K(o=0.15,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc=-0.00294 (180deg=-0.312) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -78:sc= 0.521 USER MOD Single : A 33 GLN : amide:sc= 1.16 K(o=1.2,f=-0.072) USER MOD Single : A 35 MET CE :methyl -143:sc= -0.79 (180deg=-5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0.959 (180deg=-0.182) USER MOD Single : A 43 SER OG : rot 98:sc= 1.2 USER MOD Single : A 46 SER OG : rot 83:sc= 0.309 USER MOD Single : A 51 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.0012) USER MOD Single : A 52 SER OG : rot 180:sc= 0.141 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00832 USER MOD Single : A 63 CYS SG : rot 36:sc= -1.16 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0868) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.086) USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.0367) USER MOD Single : A 89 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= 1.99 (180deg=1.02) USER MOD Single : A 96 MET CE :methyl 156:sc= -0.135 (180deg=-0.749) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 104 SER OG : rot 72:sc= 1.28 USER MOD Single : A 105 SER OG : rot 77:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.858 -11.882 -17.908 1.00 1.74 N ATOM 2 CA MET A 1 -9.889 -12.202 -16.878 1.00 1.02 C ATOM 3 C MET A 1 -9.637 -11.413 -15.582 1.00 0.87 C ATOM 4 O MET A 1 -10.500 -11.389 -14.698 1.00 1.29 O ATOM 5 CB MET A 1 -9.919 -13.708 -16.567 1.00 1.60 C ATOM 6 CG MET A 1 -10.470 -14.526 -17.744 1.00 2.33 C ATOM 7 SD MET A 1 -9.261 -14.760 -19.063 1.00 3.31 S ATOM 8 CE MET A 1 -8.162 -15.985 -18.332 1.00 4.33 C ATOM 0 H1 MET A 1 -8.979 -12.511 -18.727 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.966 -10.893 -18.212 1.00 1.74 H new ATOM 0 H3 MET A 1 -7.909 -12.018 -17.504 1.00 1.74 H new ATOM 0 HA MET A 1 -10.856 -11.911 -17.288 1.00 1.02 H new ATOM 0 HB2 MET A 1 -8.912 -14.049 -16.328 1.00 1.60 H new ATOM 0 HB3 MET A 1 -10.533 -13.884 -15.684 1.00 1.60 H new ATOM 0 HG2 MET A 1 -10.798 -15.500 -17.381 1.00 2.33 H new ATOM 0 HG3 MET A 1 -11.349 -14.024 -18.149 1.00 2.33 H new ATOM 0 HE1 MET A 1 -7.498 -16.382 -19.100 1.00 4.33 H new ATOM 0 HE2 MET A 1 -7.569 -15.518 -17.545 1.00 4.33 H new ATOM 0 HE3 MET A 1 -8.753 -16.797 -17.908 1.00 4.33 H new ATOM 20 N GLU A 2 -8.466 -10.770 -15.468 1.00 0.51 N ATOM 21 CA GLU A 2 -8.106 -9.978 -14.286 1.00 0.37 C ATOM 22 C GLU A 2 -7.605 -8.603 -14.726 1.00 0.34 C ATOM 23 O GLU A 2 -6.646 -8.505 -15.494 1.00 0.48 O ATOM 24 CB GLU A 2 -7.005 -10.681 -13.483 1.00 0.53 C ATOM 25 CG GLU A 2 -7.454 -12.049 -12.952 1.00 0.96 C ATOM 26 CD GLU A 2 -6.675 -13.172 -13.625 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.561 -13.493 -13.163 1.00 2.09 O ATOM 28 OE2 GLU A 2 -7.167 -13.731 -14.624 1.00 2.16 O ATOM 0 H GLU A 2 -7.746 -10.785 -16.190 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.990 -9.869 -13.657 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.125 -10.809 -14.113 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.709 -10.048 -12.646 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.305 -12.092 -11.873 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.521 -12.182 -13.132 1.00 0.96 H new ATOM 35 N GLY A 3 -8.239 -7.544 -14.241 1.00 0.25 N ATOM 36 CA GLY A 3 -7.835 -6.183 -14.598 1.00 0.28 C ATOM 37 C GLY A 3 -8.815 -5.139 -14.066 1.00 0.22 C ATOM 38 O GLY A 3 -9.820 -5.470 -13.427 1.00 0.22 O ATOM 0 H GLY A 3 -9.032 -7.596 -13.602 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.840 -5.983 -14.199 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.767 -6.097 -15.682 1.00 0.28 H new ATOM 42 N PHE A 4 -8.509 -3.870 -14.341 1.00 0.24 N ATOM 43 CA PHE A 4 -9.345 -2.741 -13.912 1.00 0.21 C ATOM 44 C PHE A 4 -10.616 -2.662 -14.756 1.00 0.22 C ATOM 45 O PHE A 4 -10.610 -2.990 -15.944 1.00 0.27 O ATOM 46 CB PHE A 4 -8.571 -1.422 -14.043 1.00 0.23 C ATOM 47 CG PHE A 4 -7.632 -1.165 -12.885 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.132 -0.997 -11.603 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.264 -1.107 -13.108 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.265 -0.774 -10.545 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.400 -0.881 -12.050 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.921 -0.673 -10.761 1.00 0.41 C ATOM 0 H PHE A 4 -7.679 -3.594 -14.865 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.616 -2.901 -12.868 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -7.999 -1.435 -14.971 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.280 -0.598 -14.117 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.197 -1.040 -11.429 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.873 -1.238 -14.106 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.656 -0.679 -9.543 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.333 -0.865 -12.214 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.258 -0.434 -9.942 1.00 0.41 H new ATOM 62 N LEU A 5 -11.690 -2.206 -14.136 1.00 0.19 N ATOM 63 CA LEU A 5 -12.977 -2.058 -14.805 1.00 0.21 C ATOM 64 C LEU A 5 -13.784 -0.954 -14.130 1.00 0.20 C ATOM 65 O LEU A 5 -13.730 -0.785 -12.910 1.00 0.21 O ATOM 66 CB LEU A 5 -13.772 -3.378 -14.739 1.00 0.23 C ATOM 67 CG LEU A 5 -13.739 -4.154 -16.058 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.467 -5.486 -15.899 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.364 -3.341 -17.194 1.00 0.31 C ATOM 0 H LEU A 5 -11.698 -1.927 -13.155 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.798 -1.800 -15.849 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.365 -4.003 -13.944 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.807 -3.161 -14.476 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.697 -4.344 -16.315 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.438 -6.031 -16.842 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -13.979 -6.077 -15.124 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.504 -5.303 -15.617 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.326 -3.918 -18.118 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.402 -3.114 -16.950 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.810 -2.411 -17.324 1.00 0.31 H new ATOM 81 N ASN A 6 -14.568 -0.238 -14.922 1.00 0.22 N ATOM 82 CA ASN A 6 -15.443 0.822 -14.407 1.00 0.23 C ATOM 83 C ASN A 6 -16.732 0.150 -13.946 1.00 0.22 C ATOM 84 O ASN A 6 -17.268 -0.687 -14.665 1.00 0.26 O ATOM 85 CB ASN A 6 -15.716 1.870 -15.510 1.00 0.28 C ATOM 86 CG ASN A 6 -15.522 3.311 -15.011 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.953 3.552 -13.945 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.992 4.277 -15.791 1.00 1.24 N ATOM 0 H ASN A 6 -14.621 -0.368 -15.932 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.978 1.351 -13.575 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.050 1.688 -16.353 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.735 1.750 -15.877 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.887 5.253 -15.514 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.458 4.043 -16.668 1.00 1.24 H new ATOM 95 N ARG A 7 -17.196 0.468 -12.739 1.00 0.23 N ATOM 96 CA ARG A 7 -18.403 -0.161 -12.191 1.00 0.24 C ATOM 97 C ARG A 7 -19.423 0.876 -11.723 1.00 0.25 C ATOM 98 O ARG A 7 -19.090 1.823 -11.009 1.00 0.32 O ATOM 99 CB ARG A 7 -18.021 -1.078 -11.023 1.00 0.28 C ATOM 100 CG ARG A 7 -19.164 -2.029 -10.662 1.00 0.34 C ATOM 101 CD ARG A 7 -18.699 -3.125 -9.701 1.00 0.54 C ATOM 102 NE ARG A 7 -18.580 -2.598 -8.333 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.404 -3.399 -7.279 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.077 -4.536 -7.190 1.00 1.46 N ATOM 105 NH2 ARG A 7 -17.576 -3.041 -6.307 1.00 1.71 N ATOM 0 H ARG A 7 -16.760 1.153 -12.122 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.866 -0.744 -12.987 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.135 -1.655 -11.287 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.761 -0.474 -10.154 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.978 -1.465 -10.206 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.561 -2.484 -11.570 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.406 -3.954 -9.717 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -17.738 -3.520 -10.029 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.634 -1.590 -8.185 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.731 -4.801 -7.927 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.942 -5.147 -6.385 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -17.074 -2.155 -6.365 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -17.441 -3.652 -5.501 1.00 1.71 H new ATOM 119 N LYS A 8 -20.671 0.651 -12.119 1.00 0.27 N ATOM 120 CA LYS A 8 -21.799 1.501 -11.755 1.00 0.29 C ATOM 121 C LYS A 8 -22.992 0.592 -11.457 1.00 0.29 C ATOM 122 O LYS A 8 -23.441 -0.154 -12.326 1.00 0.38 O ATOM 123 CB LYS A 8 -22.122 2.468 -12.900 1.00 0.36 C ATOM 124 CG LYS A 8 -23.391 3.287 -12.627 1.00 0.37 C ATOM 125 CD LYS A 8 -24.569 2.805 -13.484 1.00 0.50 C ATOM 126 CE LYS A 8 -25.921 3.151 -12.844 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.777 3.941 -13.770 1.00 1.02 N ATOM 0 H LYS A 8 -20.931 -0.138 -12.710 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.561 2.100 -10.876 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.281 3.144 -13.050 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.247 1.905 -13.825 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.653 3.212 -11.572 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.197 4.340 -12.833 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.508 3.259 -14.473 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.499 1.726 -13.624 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.437 2.233 -12.564 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.756 3.717 -11.927 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.361 4.605 -13.222 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.175 4.473 -14.430 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.394 3.298 -14.306 1.00 1.02 H new ATOM 141 N HIS A 9 -23.481 0.631 -10.221 1.00 0.43 N ATOM 142 CA HIS A 9 -24.609 -0.212 -9.799 1.00 0.52 C ATOM 143 C HIS A 9 -25.960 0.444 -10.110 1.00 0.58 C ATOM 144 O HIS A 9 -26.178 1.622 -9.811 1.00 0.73 O ATOM 145 CB HIS A 9 -24.508 -0.551 -8.299 1.00 0.68 C ATOM 146 CG HIS A 9 -24.314 0.625 -7.376 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.418 0.513 -6.015 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.988 1.933 -7.594 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.172 1.657 -5.427 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.904 2.550 -6.362 1.00 1.75 N ATOM 0 H HIS A 9 -23.116 1.238 -9.487 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.552 -1.138 -10.372 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.415 -1.077 -8.002 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.678 -1.242 -8.156 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -24.656 -0.349 -5.524 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.826 2.399 -8.554 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.186 1.838 -4.362 1.00 1.69 H new ATOM 158 N GLU A 10 -26.859 -0.343 -10.707 1.00 0.60 N ATOM 159 CA GLU A 10 -28.207 0.114 -11.067 1.00 0.73 C ATOM 160 C GLU A 10 -29.227 -0.420 -10.053 1.00 0.83 C ATOM 161 O GLU A 10 -30.197 0.257 -9.716 1.00 1.00 O ATOM 162 CB GLU A 10 -28.548 -0.364 -12.489 1.00 0.79 C ATOM 163 CG GLU A 10 -29.632 0.510 -13.137 1.00 1.28 C ATOM 164 CD GLU A 10 -29.159 1.066 -14.479 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.375 0.400 -15.513 1.00 1.72 O ATOM 166 OE2 GLU A 10 -28.569 2.168 -14.504 1.00 1.52 O ATOM 0 H GLU A 10 -26.674 -1.315 -10.955 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.243 1.203 -11.047 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.649 -0.345 -13.105 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.888 -1.399 -12.453 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.539 -0.077 -13.282 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -29.888 1.332 -12.469 1.00 1.28 H new ATOM 173 N TRP A 11 -28.995 -1.639 -9.564 1.00 0.82 N ATOM 174 CA TRP A 11 -29.877 -2.278 -8.583 1.00 0.96 C ATOM 175 C TRP A 11 -29.115 -3.409 -7.879 1.00 0.94 C ATOM 176 O TRP A 11 -28.270 -4.074 -8.489 1.00 0.84 O ATOM 177 CB TRP A 11 -31.138 -2.820 -9.291 1.00 1.08 C ATOM 178 CG TRP A 11 -32.020 -3.687 -8.421 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.771 -3.292 -7.343 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.231 -5.108 -8.563 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.409 -4.388 -6.832 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.109 -5.504 -7.548 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.760 -6.079 -9.451 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.519 -6.821 -7.405 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.167 -7.396 -9.315 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.040 -7.765 -8.302 1.00 1.53 C ATOM 0 H TRP A 11 -28.194 -2.210 -9.835 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.192 -1.550 -7.836 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.725 -1.977 -9.656 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.830 -3.396 -10.164 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.846 -2.284 -6.962 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.028 -4.371 -6.021 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.079 -5.803 -10.243 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.196 -7.106 -6.613 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.801 -8.143 -10.004 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.349 -8.796 -8.211 1.00 1.53 H new ATOM 197 N GLU A 12 -29.429 -3.633 -6.602 1.00 1.16 N ATOM 198 CA GLU A 12 -28.787 -4.698 -5.824 1.00 1.26 C ATOM 199 C GLU A 12 -29.486 -4.923 -4.479 1.00 1.56 C ATOM 200 O GLU A 12 -29.371 -6.006 -3.902 1.00 2.03 O ATOM 201 CB GLU A 12 -27.294 -4.403 -5.603 1.00 1.34 C ATOM 202 CG GLU A 12 -27.021 -2.933 -5.255 1.00 1.63 C ATOM 203 CD GLU A 12 -25.547 -2.737 -4.917 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.786 -3.728 -4.947 1.00 2.05 O ATOM 205 OE2 GLU A 12 -25.144 -1.591 -4.623 1.00 2.09 O ATOM 0 H GLU A 12 -30.122 -3.093 -6.084 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.879 -5.614 -6.407 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.918 -5.037 -4.800 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.739 -4.667 -6.503 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -27.297 -2.296 -6.095 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.639 -2.631 -4.409 1.00 1.63 H new ATOM 212 N ALA A 13 -30.200 -3.917 -3.967 1.00 1.77 N ATOM 213 CA ALA A 13 -30.892 -4.049 -2.682 1.00 2.14 C ATOM 214 C ALA A 13 -31.914 -2.927 -2.479 1.00 2.15 C ATOM 215 O ALA A 13 -31.579 -1.743 -2.588 1.00 2.54 O ATOM 216 CB ALA A 13 -29.874 -4.026 -1.534 1.00 2.70 C ATOM 0 H ALA A 13 -30.314 -3.009 -4.418 1.00 1.77 H new ATOM 0 HA ALA A 13 -31.424 -5.001 -2.686 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -30.396 -4.125 -0.582 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -29.174 -4.854 -1.651 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -29.327 -3.083 -1.552 1.00 2.70 H new ATOM 222 N HIS A 14 -33.154 -3.326 -2.149 1.00 2.38 N ATOM 223 CA HIS A 14 -34.280 -2.407 -1.872 1.00 2.81 C ATOM 224 C HIS A 14 -34.751 -1.653 -3.124 1.00 2.77 C ATOM 225 O HIS A 14 -33.953 -1.288 -3.992 1.00 3.31 O ATOM 226 CB HIS A 14 -33.919 -1.405 -0.751 1.00 3.51 C ATOM 227 CG HIS A 14 -33.493 -2.066 0.533 1.00 3.99 C ATOM 228 ND1 HIS A 14 -32.783 -1.421 1.514 1.00 4.73 N ATOM 229 CD2 HIS A 14 -33.670 -3.330 1.008 1.00 4.33 C ATOM 230 CE1 HIS A 14 -32.533 -2.222 2.522 1.00 5.34 C ATOM 231 NE2 HIS A 14 -33.063 -3.405 2.249 1.00 5.13 N ATOM 0 H HIS A 14 -33.410 -4.310 -2.065 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.109 -3.031 -1.538 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -33.116 -0.756 -1.100 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -34.781 -0.768 -0.553 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -34.191 -4.131 0.505 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -31.990 -1.962 3.419 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -33.029 -4.229 2.850 1.00 5.13 H new ATOM 239 N ASN A 15 -36.064 -1.409 -3.187 1.00 2.64 N ATOM 240 CA ASN A 15 -36.703 -0.680 -4.300 1.00 2.83 C ATOM 241 C ASN A 15 -36.465 -1.379 -5.654 1.00 2.48 C ATOM 242 O ASN A 15 -36.212 -2.585 -5.710 1.00 2.96 O ATOM 243 CB ASN A 15 -36.189 0.780 -4.322 1.00 3.64 C ATOM 244 CG ASN A 15 -37.203 1.720 -4.984 1.00 4.19 C ATOM 245 OD1 ASN A 15 -37.104 2.013 -6.178 1.00 4.25 O ATOM 246 ND2 ASN A 15 -38.171 2.196 -4.215 1.00 4.99 N ATOM 0 H ASN A 15 -36.721 -1.711 -2.467 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.781 -0.675 -4.138 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.993 1.114 -3.303 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -35.242 0.826 -4.860 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -38.869 2.829 -4.606 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -38.219 1.930 -3.232 1.00 4.99 H new ATOM 253 N LYS A 16 -36.551 -0.612 -6.740 1.00 2.30 N ATOM 254 CA LYS A 16 -36.343 -1.136 -8.096 1.00 2.46 C ATOM 255 C LYS A 16 -34.929 -0.792 -8.575 1.00 2.10 C ATOM 256 O LYS A 16 -34.359 -1.496 -9.409 1.00 2.44 O ATOM 257 CB LYS A 16 -37.392 -0.559 -9.063 1.00 3.26 C ATOM 258 CG LYS A 16 -37.900 -1.630 -10.032 1.00 3.87 C ATOM 259 CD LYS A 16 -39.061 -1.107 -10.885 1.00 4.83 C ATOM 260 CE LYS A 16 -39.366 -2.048 -12.053 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.901 -3.355 -11.577 1.00 6.03 N ATOM 0 H LYS A 16 -36.765 0.385 -6.709 1.00 2.30 H new ATOM 0 HA LYS A 16 -36.456 -2.220 -8.076 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -38.229 -0.152 -8.495 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -36.957 0.267 -9.625 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.085 -1.951 -10.681 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -38.225 -2.506 -9.471 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -39.950 -0.996 -10.264 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -38.815 -0.117 -11.269 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -40.089 -1.579 -12.720 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -38.459 -2.215 -12.633 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.097 -3.968 -12.394 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -39.200 -3.813 -10.960 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -40.780 -3.197 -11.044 1.00 6.03 H new ATOM 275 N LYS A 17 -34.363 0.287 -8.023 1.00 1.88 N ATOM 276 CA LYS A 17 -33.010 0.732 -8.362 1.00 1.62 C ATOM 277 C LYS A 17 -32.280 1.161 -7.085 1.00 1.62 C ATOM 278 O LYS A 17 -32.910 1.517 -6.085 1.00 2.06 O ATOM 279 CB LYS A 17 -33.052 1.865 -9.414 1.00 1.84 C ATOM 280 CG LYS A 17 -33.277 3.262 -8.820 1.00 2.30 C ATOM 281 CD LYS A 17 -34.645 3.391 -8.146 1.00 2.75 C ATOM 282 CE LYS A 17 -35.227 4.805 -8.303 1.00 3.27 C ATOM 283 NZ LYS A 17 -34.212 5.860 -8.012 1.00 3.75 N ATOM 0 H LYS A 17 -34.830 0.874 -7.331 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.457 -0.093 -8.810 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.115 1.865 -9.970 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -33.847 1.653 -10.129 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.494 3.476 -8.092 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.191 4.009 -9.609 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -35.333 2.665 -8.578 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -34.552 3.151 -7.087 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -35.602 4.932 -9.318 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -36.077 4.924 -7.632 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -34.695 6.751 -7.778 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -33.624 5.563 -7.207 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.609 6.002 -8.847 1.00 3.75 H new ATOM 297 N ALA A 18 -30.956 1.113 -7.126 1.00 1.43 N ATOM 298 CA ALA A 18 -30.112 1.476 -5.983 1.00 1.61 C ATOM 299 C ALA A 18 -29.634 2.925 -6.088 1.00 1.86 C ATOM 300 O ALA A 18 -29.708 3.542 -7.154 1.00 2.10 O ATOM 301 CB ALA A 18 -28.899 0.537 -5.941 1.00 1.58 C ATOM 0 H ALA A 18 -30.431 0.822 -7.951 1.00 1.43 H new ATOM 0 HA ALA A 18 -30.699 1.378 -5.070 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -28.265 0.799 -5.094 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -29.240 -0.493 -5.834 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.329 0.637 -6.865 1.00 1.58 H new ATOM 307 N SER A 19 -29.104 3.443 -4.976 1.00 2.24 N ATOM 308 CA SER A 19 -28.561 4.800 -4.920 1.00 2.71 C ATOM 309 C SER A 19 -27.187 4.778 -5.587 1.00 2.85 C ATOM 310 O SER A 19 -26.182 4.430 -4.963 1.00 3.33 O ATOM 311 CB SER A 19 -28.455 5.267 -3.462 1.00 3.28 C ATOM 312 OG SER A 19 -29.723 5.196 -2.812 1.00 3.62 O ATOM 0 H SER A 19 -29.040 2.935 -4.094 1.00 2.24 H new ATOM 0 HA SER A 19 -29.216 5.499 -5.441 1.00 2.71 H new ATOM 0 HB2 SER A 19 -27.733 4.648 -2.929 1.00 3.28 H new ATOM 0 HB3 SER A 19 -28.082 6.291 -3.430 1.00 3.28 H new ATOM 0 HG SER A 19 -29.632 5.496 -1.884 1.00 3.62 H new ATOM 318 N SER A 20 -27.177 5.098 -6.876 1.00 2.92 N ATOM 319 CA SER A 20 -25.970 5.074 -7.694 1.00 3.46 C ATOM 320 C SER A 20 -24.849 5.963 -7.139 1.00 3.36 C ATOM 321 O SER A 20 -24.967 7.188 -7.102 1.00 3.74 O ATOM 322 CB SER A 20 -26.315 5.494 -9.116 1.00 4.13 C ATOM 323 OG SER A 20 -27.427 4.750 -9.602 1.00 4.31 O ATOM 0 H SER A 20 -28.013 5.384 -7.387 1.00 2.92 H new ATOM 0 HA SER A 20 -25.590 4.052 -7.681 1.00 3.46 H new ATOM 0 HB2 SER A 20 -26.544 6.559 -9.141 1.00 4.13 H new ATOM 0 HB3 SER A 20 -25.454 5.338 -9.766 1.00 4.13 H new ATOM 0 HG SER A 20 -27.636 5.034 -10.516 1.00 4.31 H new ATOM 329 N ARG A 21 -23.754 5.318 -6.735 1.00 3.28 N ATOM 330 CA ARG A 21 -22.563 5.996 -6.205 1.00 3.37 C ATOM 331 C ARG A 21 -21.629 6.380 -7.368 1.00 2.30 C ATOM 332 O ARG A 21 -20.407 6.457 -7.208 1.00 2.78 O ATOM 333 CB ARG A 21 -21.847 5.055 -5.222 1.00 4.44 C ATOM 334 CG ARG A 21 -21.223 5.815 -4.050 1.00 5.18 C ATOM 335 CD ARG A 21 -20.799 4.862 -2.928 1.00 5.89 C ATOM 336 NE ARG A 21 -21.961 4.135 -2.403 1.00 6.25 N ATOM 337 CZ ARG A 21 -21.884 2.878 -1.969 1.00 6.92 C ATOM 338 NH1 ARG A 21 -21.524 1.904 -2.798 1.00 7.30 N ATOM 339 NH2 ARG A 21 -22.139 2.603 -0.700 1.00 7.43 N ATOM 0 H ARG A 21 -23.665 4.302 -6.765 1.00 3.28 H new ATOM 0 HA ARG A 21 -22.852 6.906 -5.679 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -22.557 4.321 -4.841 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -21.070 4.502 -5.750 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.357 6.377 -4.399 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -21.938 6.540 -3.662 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -20.060 4.155 -3.304 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -20.322 5.425 -2.126 1.00 5.89 H new ATOM 0 HE ARG A 21 -22.863 4.611 -2.369 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -21.305 2.117 -3.771 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -21.466 0.943 -2.461 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -22.394 3.353 -0.057 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -22.081 1.641 -0.365 1.00 7.43 H new ATOM 353 N SER A 22 -22.241 6.612 -8.537 1.00 1.32 N ATOM 354 CA SER A 22 -21.557 6.984 -9.772 1.00 0.74 C ATOM 355 C SER A 22 -20.623 5.875 -10.277 1.00 0.68 C ATOM 356 O SER A 22 -20.709 4.723 -9.844 1.00 1.69 O ATOM 357 CB SER A 22 -20.811 8.304 -9.587 1.00 1.62 C ATOM 358 OG SER A 22 -21.658 9.273 -8.979 1.00 1.86 O ATOM 0 H SER A 22 -23.253 6.543 -8.647 1.00 1.32 H new ATOM 0 HA SER A 22 -22.316 7.120 -10.543 1.00 0.74 H new ATOM 0 HB2 SER A 22 -19.927 8.146 -8.969 1.00 1.62 H new ATOM 0 HB3 SER A 22 -20.463 8.671 -10.553 1.00 1.62 H new ATOM 0 HG SER A 22 -21.166 10.113 -8.865 1.00 1.86 H new ATOM 364 N TRP A 23 -19.751 6.234 -11.215 1.00 0.69 N ATOM 365 CA TRP A 23 -18.803 5.297 -11.820 1.00 0.41 C ATOM 366 C TRP A 23 -17.547 5.169 -10.955 1.00 0.40 C ATOM 367 O TRP A 23 -16.789 6.131 -10.803 1.00 0.55 O ATOM 368 CB TRP A 23 -18.436 5.788 -13.229 1.00 0.43 C ATOM 369 CG TRP A 23 -19.478 5.416 -14.251 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.488 6.204 -14.737 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.619 4.139 -14.897 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.222 5.474 -15.632 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.720 4.213 -15.755 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.910 2.947 -14.825 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.126 3.133 -16.528 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.301 1.863 -15.590 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.400 1.954 -16.438 1.00 0.31 C ATOM 0 H TRP A 23 -19.680 7.184 -11.579 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.266 4.313 -11.889 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.315 6.871 -13.214 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.475 5.364 -13.521 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -20.674 7.231 -14.460 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.035 5.826 -16.138 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.054 2.866 -14.172 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.983 3.209 -17.181 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.748 0.937 -15.528 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.691 1.100 -17.031 1.00 0.31 H new ATOM 388 N HIS A 24 -17.342 3.979 -10.393 1.00 0.37 N ATOM 389 CA HIS A 24 -16.198 3.690 -9.533 1.00 0.45 C ATOM 390 C HIS A 24 -15.217 2.764 -10.256 1.00 0.36 C ATOM 391 O HIS A 24 -15.594 1.691 -10.737 1.00 0.34 O ATOM 392 CB HIS A 24 -16.700 3.032 -8.235 1.00 0.61 C ATOM 393 CG HIS A 24 -15.737 3.156 -7.093 1.00 1.18 C ATOM 394 ND1 HIS A 24 -16.015 3.836 -5.937 1.00 2.08 N ATOM 395 CD2 HIS A 24 -14.484 2.682 -6.929 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.999 3.787 -5.107 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.036 3.085 -5.683 1.00 2.74 N ATOM 0 H HIS A 24 -17.969 3.185 -10.523 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.678 4.617 -9.291 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.650 3.485 -7.950 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.894 1.976 -8.423 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -16.894 4.316 -5.746 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -13.929 2.092 -7.644 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.956 4.240 -4.127 1.00 2.98 H new ATOM 405 N ASN A 25 -13.953 3.182 -10.303 1.00 0.37 N ATOM 406 CA ASN A 25 -12.878 2.407 -10.936 1.00 0.35 C ATOM 407 C ASN A 25 -12.433 1.304 -9.967 1.00 0.34 C ATOM 408 O ASN A 25 -11.737 1.573 -8.985 1.00 0.55 O ATOM 409 CB ASN A 25 -11.702 3.344 -11.294 1.00 0.44 C ATOM 410 CG ASN A 25 -10.505 2.569 -11.856 1.00 0.99 C ATOM 411 OD1 ASN A 25 -10.661 1.618 -12.623 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.308 2.990 -11.479 1.00 1.49 N ATOM 0 H ASN A 25 -13.641 4.068 -9.904 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.232 1.946 -11.858 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.034 4.080 -12.026 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.393 3.895 -10.406 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.470 2.522 -11.826 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.223 3.782 -10.842 1.00 1.49 H new ATOM 419 N VAL A 26 -12.869 0.076 -10.239 1.00 0.22 N ATOM 420 CA VAL A 26 -12.556 -1.081 -9.391 1.00 0.21 C ATOM 421 C VAL A 26 -11.771 -2.141 -10.179 1.00 0.18 C ATOM 422 O VAL A 26 -11.720 -2.114 -11.409 1.00 0.23 O ATOM 423 CB VAL A 26 -13.873 -1.658 -8.824 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.651 -2.448 -9.883 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.620 -2.523 -7.587 1.00 0.31 C ATOM 0 H VAL A 26 -13.447 -0.149 -11.049 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.921 -0.766 -8.563 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.486 -0.808 -8.524 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.570 -2.837 -9.445 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.897 -1.792 -10.718 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.040 -3.277 -10.240 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.568 -2.912 -7.215 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.966 -3.354 -7.851 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.146 -1.920 -6.812 1.00 0.31 H new ATOM 435 N TYR A 27 -11.163 -3.074 -9.453 1.00 0.16 N ATOM 436 CA TYR A 27 -10.376 -4.163 -10.043 1.00 0.16 C ATOM 437 C TYR A 27 -11.192 -5.455 -9.969 1.00 0.19 C ATOM 438 O TYR A 27 -11.620 -5.858 -8.884 1.00 0.34 O ATOM 439 CB TYR A 27 -9.050 -4.299 -9.280 1.00 0.17 C ATOM 440 CG TYR A 27 -7.966 -5.002 -10.061 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.906 -6.387 -10.096 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.014 -4.259 -10.735 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.899 -7.021 -10.804 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.010 -4.889 -11.439 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.954 -6.267 -11.472 1.00 0.29 C ATOM 446 OH TYR A 27 -4.950 -6.896 -12.175 1.00 0.37 O ATOM 0 H TYR A 27 -11.200 -3.100 -8.434 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.148 -3.952 -11.088 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.698 -3.305 -9.002 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.229 -4.845 -8.354 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.646 -6.972 -9.570 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.057 -3.180 -10.710 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.853 -8.100 -10.834 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.269 -4.305 -11.964 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.369 -6.223 -12.588 1.00 0.37 H new ATOM 456 N CYS A 28 -11.426 -6.089 -11.116 1.00 0.16 N ATOM 457 CA CYS A 28 -12.220 -7.324 -11.179 1.00 0.19 C ATOM 458 C CYS A 28 -11.337 -8.531 -11.509 1.00 0.19 C ATOM 459 O CYS A 28 -10.445 -8.449 -12.357 1.00 0.23 O ATOM 460 CB CYS A 28 -13.323 -7.176 -12.235 1.00 0.23 C ATOM 461 SG CYS A 28 -14.420 -5.788 -11.894 1.00 0.34 S ATOM 0 H CYS A 28 -11.078 -5.770 -12.020 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.672 -7.493 -10.202 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.867 -7.043 -13.216 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.907 -8.095 -12.277 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.261 -6.119 -10.960 1.00 0.34 H new ATOM 467 N VAL A 29 -11.605 -9.649 -10.832 1.00 0.21 N ATOM 468 CA VAL A 29 -10.866 -10.902 -11.026 1.00 0.24 C ATOM 469 C VAL A 29 -11.861 -12.059 -11.157 1.00 0.26 C ATOM 470 O VAL A 29 -12.528 -12.420 -10.184 1.00 0.38 O ATOM 471 CB VAL A 29 -9.924 -11.146 -9.833 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.242 -12.518 -9.934 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.878 -10.037 -9.736 1.00 0.33 C ATOM 0 H VAL A 29 -12.343 -9.713 -10.131 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.267 -10.836 -11.934 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.528 -11.135 -8.926 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.583 -12.661 -9.077 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -10.000 -13.301 -9.943 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.658 -12.567 -10.853 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.222 -10.228 -8.886 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.287 -10.013 -10.652 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.377 -9.077 -9.600 1.00 0.33 H new ATOM 483 N ILE A 30 -11.961 -12.633 -12.359 1.00 0.28 N ATOM 484 CA ILE A 30 -12.881 -13.752 -12.621 1.00 0.32 C ATOM 485 C ILE A 30 -12.188 -15.092 -12.336 1.00 0.35 C ATOM 486 O ILE A 30 -11.065 -15.327 -12.787 1.00 0.44 O ATOM 487 CB ILE A 30 -13.369 -13.706 -14.079 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.022 -12.353 -14.389 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.357 -14.845 -14.361 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.381 -12.230 -15.873 1.00 0.57 C ATOM 0 H ILE A 30 -11.416 -12.343 -13.171 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.742 -13.658 -11.959 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.502 -13.832 -14.727 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.922 -12.235 -13.785 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.343 -11.547 -14.110 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.688 -14.791 -15.398 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.868 -15.803 -14.185 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.219 -14.751 -13.700 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.842 -11.259 -16.057 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.477 -12.322 -16.475 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.080 -13.021 -16.145 1.00 0.57 H new ATOM 502 N ASN A 31 -12.868 -15.961 -11.588 1.00 0.46 N ATOM 503 CA ASN A 31 -12.348 -17.284 -11.229 1.00 0.58 C ATOM 504 C ASN A 31 -13.477 -18.314 -11.335 1.00 0.71 C ATOM 505 O ASN A 31 -14.454 -18.254 -10.586 1.00 1.20 O ATOM 506 CB ASN A 31 -11.780 -17.244 -9.797 1.00 0.73 C ATOM 507 CG ASN A 31 -11.083 -18.561 -9.417 1.00 0.93 C ATOM 508 OD1 ASN A 31 -11.210 -19.578 -10.098 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.341 -18.538 -8.323 1.00 1.47 N ATOM 0 H ASN A 31 -13.797 -15.769 -11.212 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.546 -17.568 -11.911 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.071 -16.421 -9.711 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.587 -17.044 -9.092 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -9.852 -19.381 -8.020 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -10.257 -17.678 -7.782 1.00 1.47 H new ATOM 516 N ASN A 32 -13.327 -19.256 -12.271 1.00 0.85 N ATOM 517 CA ASN A 32 -14.313 -20.327 -12.517 1.00 1.00 C ATOM 518 C ASN A 32 -15.679 -19.729 -12.893 1.00 1.00 C ATOM 519 O ASN A 32 -15.883 -19.322 -14.040 1.00 1.97 O ATOM 520 CB ASN A 32 -14.420 -21.273 -11.298 1.00 1.24 C ATOM 521 CG ASN A 32 -13.382 -22.391 -11.395 1.00 1.73 C ATOM 522 OD1 ASN A 32 -13.693 -23.508 -11.813 1.00 2.06 O ATOM 523 ND2 ASN A 32 -12.151 -22.095 -11.006 1.00 2.52 N ATOM 0 H ASN A 32 -12.515 -19.302 -12.886 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.969 -20.924 -13.361 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.270 -20.708 -10.378 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.421 -21.701 -11.249 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -11.419 -22.804 -11.046 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -11.935 -21.158 -10.666 1.00 2.52 H new ATOM 530 N GLN A 33 -16.599 -19.666 -11.925 1.00 0.75 N ATOM 531 CA GLN A 33 -17.943 -19.110 -12.139 1.00 0.67 C ATOM 532 C GLN A 33 -18.249 -18.024 -11.097 1.00 0.56 C ATOM 533 O GLN A 33 -19.432 -17.754 -10.798 1.00 0.71 O ATOM 534 CB GLN A 33 -18.995 -20.226 -12.051 1.00 0.83 C ATOM 535 CG GLN A 33 -18.739 -21.338 -13.074 1.00 1.46 C ATOM 536 CD GLN A 33 -19.936 -22.285 -13.124 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.190 -23.029 -12.174 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.681 -22.250 -14.220 1.00 2.67 N ATOM 0 H GLN A 33 -16.436 -19.997 -10.974 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.977 -18.662 -13.132 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.991 -20.649 -11.047 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.986 -19.804 -12.215 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.566 -20.905 -14.059 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.838 -21.890 -12.806 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.436 -21.620 -14.983 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.499 -22.854 -14.300 1.00 2.67 H new ATOM 547 N GLU A 34 -17.179 -17.405 -10.553 1.00 0.53 N ATOM 548 CA GLU A 34 -17.297 -16.343 -9.547 1.00 0.49 C ATOM 549 C GLU A 34 -16.336 -15.204 -9.890 1.00 0.45 C ATOM 550 O GLU A 34 -15.276 -15.433 -10.476 1.00 0.64 O ATOM 551 CB GLU A 34 -16.952 -16.887 -8.154 1.00 0.61 C ATOM 552 CG GLU A 34 -18.020 -17.860 -7.627 1.00 1.25 C ATOM 553 CD GLU A 34 -17.380 -18.992 -6.831 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.389 -18.741 -6.119 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.875 -20.135 -6.903 1.00 1.79 O ATOM 0 H GLU A 34 -16.216 -17.631 -10.802 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.324 -15.977 -9.545 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.988 -17.395 -8.193 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -16.846 -16.055 -7.458 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.728 -17.322 -6.997 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.586 -18.272 -8.462 1.00 1.25 H new ATOM 562 N MET A 35 -16.696 -13.985 -9.502 1.00 0.36 N ATOM 563 CA MET A 35 -15.860 -12.810 -9.741 1.00 0.35 C ATOM 564 C MET A 35 -15.622 -12.079 -8.421 1.00 0.32 C ATOM 565 O MET A 35 -16.541 -11.922 -7.612 1.00 0.42 O ATOM 566 CB MET A 35 -16.504 -11.879 -10.787 1.00 0.41 C ATOM 567 CG MET A 35 -17.765 -11.180 -10.271 1.00 0.43 C ATOM 568 SD MET A 35 -18.552 -10.158 -11.533 1.00 0.60 S ATOM 569 CE MET A 35 -17.289 -8.903 -11.814 1.00 1.25 C ATOM 0 H MET A 35 -17.570 -13.782 -9.016 1.00 0.36 H new ATOM 0 HA MET A 35 -14.899 -13.131 -10.143 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.777 -11.126 -11.092 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.754 -12.458 -11.676 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.474 -11.929 -9.920 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.507 -10.559 -9.413 1.00 0.43 H new ATOM 0 HE1 MET A 35 -17.767 -7.939 -11.988 1.00 1.25 H new ATOM 0 HE2 MET A 35 -16.643 -8.835 -10.939 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.693 -9.175 -12.685 1.00 1.25 H new ATOM 579 N GLY A 36 -14.384 -11.652 -8.205 1.00 0.27 N ATOM 580 CA GLY A 36 -13.994 -10.945 -6.986 1.00 0.29 C ATOM 581 C GLY A 36 -13.695 -9.481 -7.289 1.00 0.25 C ATOM 582 O GLY A 36 -13.038 -9.170 -8.292 1.00 0.28 O ATOM 0 H GLY A 36 -13.620 -11.785 -8.868 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.793 -11.014 -6.248 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.115 -11.419 -6.549 1.00 0.29 H new ATOM 586 N PHE A 37 -14.178 -8.591 -6.422 1.00 0.24 N ATOM 587 CA PHE A 37 -13.976 -7.145 -6.571 1.00 0.25 C ATOM 588 C PHE A 37 -12.897 -6.659 -5.599 1.00 0.25 C ATOM 589 O PHE A 37 -13.015 -6.836 -4.386 1.00 0.40 O ATOM 590 CB PHE A 37 -15.291 -6.403 -6.304 1.00 0.30 C ATOM 591 CG PHE A 37 -16.342 -6.662 -7.365 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.241 -6.050 -8.605 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.405 -7.513 -7.103 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.198 -6.285 -9.576 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.364 -7.747 -8.076 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.261 -7.134 -9.311 1.00 0.33 C ATOM 0 H PHE A 37 -14.720 -8.849 -5.597 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.650 -6.939 -7.591 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.681 -6.705 -5.332 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.093 -5.332 -6.250 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.413 -5.388 -8.813 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.486 -7.994 -6.139 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.117 -5.807 -10.541 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.192 -8.409 -7.869 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.008 -7.317 -10.069 1.00 0.33 H new ATOM 606 N TYR A 38 -11.850 -6.050 -6.151 1.00 0.20 N ATOM 607 CA TYR A 38 -10.726 -5.525 -5.367 1.00 0.21 C ATOM 608 C TYR A 38 -10.435 -4.079 -5.779 1.00 0.21 C ATOM 609 O TYR A 38 -10.953 -3.593 -6.784 1.00 0.23 O ATOM 610 CB TYR A 38 -9.490 -6.411 -5.584 1.00 0.23 C ATOM 611 CG TYR A 38 -9.734 -7.853 -5.204 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.559 -8.262 -3.895 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.142 -8.764 -6.165 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.793 -9.579 -3.546 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.376 -10.079 -5.814 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.201 -10.482 -4.508 1.00 0.44 C ATOM 617 OH TYR A 38 -10.440 -11.790 -4.163 1.00 0.55 O ATOM 0 H TYR A 38 -11.754 -5.905 -7.156 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.983 -5.536 -4.308 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.191 -6.361 -6.631 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.660 -6.020 -4.996 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.240 -7.553 -3.146 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.277 -8.446 -7.188 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.657 -9.901 -2.524 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.695 -10.790 -6.562 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.720 -12.292 -4.957 1.00 0.55 H new ATOM 627 N LYS A 39 -9.607 -3.384 -4.998 1.00 0.25 N ATOM 628 CA LYS A 39 -9.265 -1.983 -5.287 1.00 0.29 C ATOM 629 C LYS A 39 -8.222 -1.871 -6.408 1.00 0.28 C ATOM 630 O LYS A 39 -8.263 -0.928 -7.201 1.00 0.33 O ATOM 631 CB LYS A 39 -8.760 -1.282 -4.019 1.00 0.36 C ATOM 632 CG LYS A 39 -9.117 0.206 -4.043 1.00 0.70 C ATOM 633 CD LYS A 39 -8.759 0.894 -2.725 1.00 1.15 C ATOM 634 CE LYS A 39 -9.066 2.395 -2.772 1.00 1.82 C ATOM 635 NZ LYS A 39 -10.472 2.662 -3.195 1.00 2.51 N ATOM 0 H LYS A 39 -9.160 -3.763 -4.163 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.174 -1.488 -5.630 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.199 -1.752 -3.139 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.679 -1.400 -3.938 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.590 0.694 -4.863 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -10.184 0.321 -4.236 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -9.317 0.433 -1.910 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.701 0.745 -2.511 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.894 2.832 -1.788 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -8.380 2.885 -3.463 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -10.828 3.507 -2.704 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -10.501 2.821 -4.222 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -11.068 1.845 -2.954 1.00 2.51 H new ATOM 649 N ASP A 40 -7.293 -2.828 -6.472 1.00 0.28 N ATOM 650 CA ASP A 40 -6.239 -2.833 -7.499 1.00 0.32 C ATOM 651 C ASP A 40 -5.580 -4.216 -7.592 1.00 0.33 C ATOM 652 O ASP A 40 -6.042 -5.182 -6.971 1.00 0.32 O ATOM 653 CB ASP A 40 -5.185 -1.740 -7.203 1.00 0.38 C ATOM 654 CG ASP A 40 -4.238 -2.132 -6.065 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.731 -2.523 -4.990 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.004 -2.050 -6.243 1.00 0.94 O ATOM 0 H ASP A 40 -7.246 -3.614 -5.824 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.698 -2.611 -8.462 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.604 -1.546 -8.105 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.693 -0.810 -6.945 1.00 0.38 H new ATOM 661 N ALA A 41 -4.492 -4.299 -8.364 1.00 0.40 N ATOM 662 CA ALA A 41 -3.744 -5.550 -8.554 1.00 0.45 C ATOM 663 C ALA A 41 -3.140 -6.046 -7.234 1.00 0.45 C ATOM 664 O ALA A 41 -3.106 -7.251 -6.975 1.00 0.47 O ATOM 665 CB ALA A 41 -2.632 -5.344 -9.586 1.00 0.55 C ATOM 0 H ALA A 41 -4.104 -3.505 -8.874 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.442 -6.306 -8.914 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.083 -6.276 -9.720 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.070 -5.040 -10.537 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.950 -4.569 -9.236 1.00 0.55 H new ATOM 671 N LYS A 42 -2.676 -5.116 -6.393 1.00 0.46 N ATOM 672 CA LYS A 42 -2.089 -5.465 -5.096 1.00 0.48 C ATOM 673 C LYS A 42 -3.171 -6.021 -4.162 1.00 0.43 C ATOM 674 O LYS A 42 -2.962 -7.026 -3.484 1.00 0.47 O ATOM 675 CB LYS A 42 -1.414 -4.234 -4.481 1.00 0.54 C ATOM 676 CG LYS A 42 -0.258 -3.743 -5.360 1.00 0.77 C ATOM 677 CD LYS A 42 0.500 -2.580 -4.709 1.00 1.12 C ATOM 678 CE LYS A 42 -0.236 -1.244 -4.869 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.626 -0.985 -6.282 1.00 2.76 N ATOM 0 H LYS A 42 -2.696 -4.115 -6.588 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.332 -6.237 -5.239 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.147 -3.436 -4.359 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.041 -4.479 -3.487 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.431 -4.566 -5.547 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.647 -3.427 -6.328 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.642 -2.790 -3.649 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.492 -2.501 -5.154 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -1.127 -1.244 -4.242 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.402 -0.434 -4.515 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.655 0.041 -6.452 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.070 -1.422 -6.920 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.566 -1.392 -6.463 1.00 2.76 H new ATOM 693 N SER A 43 -4.344 -5.380 -4.167 1.00 0.38 N ATOM 694 CA SER A 43 -5.482 -5.822 -3.352 1.00 0.38 C ATOM 695 C SER A 43 -5.965 -7.208 -3.810 1.00 0.39 C ATOM 696 O SER A 43 -6.374 -8.033 -2.994 1.00 0.45 O ATOM 697 CB SER A 43 -6.630 -4.815 -3.458 1.00 0.37 C ATOM 698 OG SER A 43 -6.193 -3.509 -3.114 1.00 1.04 O ATOM 0 H SER A 43 -4.531 -4.550 -4.729 1.00 0.38 H new ATOM 0 HA SER A 43 -5.157 -5.887 -2.314 1.00 0.38 H new ATOM 0 HB2 SER A 43 -7.026 -4.814 -4.474 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.444 -5.115 -2.799 1.00 0.37 H new ATOM 0 HG SER A 43 -5.998 -3.004 -3.931 1.00 1.04 H new ATOM 704 N ALA A 44 -5.905 -7.448 -5.126 1.00 0.37 N ATOM 705 CA ALA A 44 -6.325 -8.723 -5.721 1.00 0.43 C ATOM 706 C ALA A 44 -5.295 -9.828 -5.451 1.00 0.51 C ATOM 707 O ALA A 44 -5.662 -10.966 -5.156 1.00 0.59 O ATOM 708 CB ALA A 44 -6.523 -8.552 -7.231 1.00 0.43 C ATOM 0 H ALA A 44 -5.566 -6.767 -5.806 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.268 -9.019 -5.261 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.835 -9.501 -7.667 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.290 -7.799 -7.414 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.586 -8.234 -7.687 1.00 0.43 H new ATOM 714 N ALA A 45 -4.005 -9.486 -5.555 1.00 0.54 N ATOM 715 CA ALA A 45 -2.911 -10.443 -5.327 1.00 0.64 C ATOM 716 C ALA A 45 -2.834 -10.847 -3.851 1.00 0.68 C ATOM 717 O ALA A 45 -2.921 -12.032 -3.521 1.00 0.76 O ATOM 718 CB ALA A 45 -1.580 -9.833 -5.779 1.00 0.69 C ATOM 0 H ALA A 45 -3.690 -8.547 -5.797 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.111 -11.340 -5.913 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.775 -10.548 -5.607 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.632 -9.593 -6.841 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.385 -8.923 -5.211 1.00 0.69 H new ATOM 724 N SER A 46 -2.678 -9.859 -2.967 1.00 0.65 N ATOM 725 CA SER A 46 -2.593 -10.105 -1.519 1.00 0.73 C ATOM 726 C SER A 46 -3.904 -10.703 -0.977 1.00 0.74 C ATOM 727 O SER A 46 -3.887 -11.511 -0.047 1.00 0.84 O ATOM 728 CB SER A 46 -2.267 -8.796 -0.792 1.00 0.75 C ATOM 729 OG SER A 46 -1.148 -8.150 -1.393 1.00 1.21 O ATOM 0 H SER A 46 -2.607 -8.875 -3.227 1.00 0.65 H new ATOM 0 HA SER A 46 -1.797 -10.828 -1.339 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.133 -8.134 -0.819 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.055 -9.000 0.257 1.00 0.75 H new ATOM 0 HG SER A 46 -1.446 -7.638 -2.174 1.00 1.21 H new ATOM 735 N GLY A 47 -5.030 -10.304 -1.571 1.00 0.70 N ATOM 736 CA GLY A 47 -6.349 -10.795 -1.168 1.00 0.74 C ATOM 737 C GLY A 47 -6.939 -9.932 -0.055 1.00 0.75 C ATOM 738 O GLY A 47 -7.140 -10.401 1.065 1.00 0.88 O ATOM 0 H GLY A 47 -5.054 -9.635 -2.341 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.019 -10.794 -2.028 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.268 -11.827 -0.828 1.00 0.74 H new ATOM 742 N ILE A 48 -7.218 -8.670 -0.374 1.00 0.67 N ATOM 743 CA ILE A 48 -7.795 -7.724 0.587 1.00 0.72 C ATOM 744 C ILE A 48 -9.304 -7.615 0.336 1.00 0.75 C ATOM 745 O ILE A 48 -9.731 -7.392 -0.798 1.00 0.75 O ATOM 746 CB ILE A 48 -7.120 -6.346 0.445 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.589 -6.475 0.478 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.583 -5.386 1.543 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.117 -7.172 1.748 1.00 0.97 C ATOM 0 H ILE A 48 -7.053 -8.273 -1.299 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.625 -8.081 1.603 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.417 -5.938 -0.521 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.251 -7.035 -0.394 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.137 -5.485 0.415 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.089 -4.423 1.416 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.663 -5.252 1.478 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.327 -5.799 2.519 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.030 -7.247 1.739 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.434 -6.597 2.618 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.549 -8.172 1.797 1.00 0.97 H new ATOM 761 N PRO A 49 -10.136 -7.773 1.389 1.00 0.84 N ATOM 762 CA PRO A 49 -11.604 -7.701 1.260 1.00 0.93 C ATOM 763 C PRO A 49 -12.097 -6.265 1.031 1.00 0.93 C ATOM 764 O PRO A 49 -12.289 -5.503 1.985 1.00 1.08 O ATOM 765 CB PRO A 49 -12.118 -8.262 2.585 1.00 1.07 C ATOM 766 CG PRO A 49 -11.012 -8.036 3.565 1.00 1.06 C ATOM 767 CD PRO A 49 -9.721 -8.047 2.780 1.00 0.92 C ATOM 0 HA PRO A 49 -11.966 -8.258 0.396 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.031 -7.756 2.899 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.355 -9.322 2.498 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.142 -7.085 4.081 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.007 -8.815 4.328 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.028 -7.289 3.145 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.214 -9.009 2.862 1.00 0.92 H new ATOM 775 N TYR A 50 -12.299 -5.907 -0.235 1.00 0.87 N ATOM 776 CA TYR A 50 -12.767 -4.572 -0.609 1.00 0.91 C ATOM 777 C TYR A 50 -14.294 -4.543 -0.666 1.00 1.12 C ATOM 778 O TYR A 50 -14.913 -5.301 -1.416 1.00 1.91 O ATOM 779 CB TYR A 50 -12.180 -4.169 -1.970 1.00 0.92 C ATOM 780 CG TYR A 50 -12.362 -2.701 -2.277 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.788 -1.749 -1.452 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.104 -2.303 -3.378 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.954 -0.405 -1.725 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.268 -0.954 -3.650 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.692 -0.013 -2.822 1.00 1.17 C ATOM 786 OH TYR A 50 -12.849 1.325 -3.093 1.00 1.34 O ATOM 0 H TYR A 50 -12.144 -6.530 -1.028 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.432 -3.860 0.145 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.117 -4.410 -1.987 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.653 -4.760 -2.754 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.210 -2.057 -0.594 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.554 -3.043 -4.023 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.507 0.337 -1.081 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -13.845 -0.640 -4.507 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.227 1.435 -3.990 1.00 1.34 H new ATOM 796 N HIS A 51 -14.887 -3.658 0.139 1.00 1.28 N ATOM 797 CA HIS A 51 -16.347 -3.485 0.219 1.00 1.53 C ATOM 798 C HIS A 51 -17.000 -4.626 1.015 1.00 1.61 C ATOM 799 O HIS A 51 -16.327 -5.558 1.468 1.00 2.07 O ATOM 800 CB HIS A 51 -16.969 -3.367 -1.195 1.00 2.01 C ATOM 801 CG HIS A 51 -17.797 -2.130 -1.377 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.150 -2.152 -1.586 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.460 -0.816 -1.392 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.627 -0.941 -1.725 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.618 -0.089 -1.612 1.00 3.74 N ATOM 0 H HIS A 51 -14.368 -3.036 0.759 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.543 -2.555 0.752 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.171 -3.374 -1.937 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.590 -4.243 -1.386 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.468 -0.410 -1.257 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.661 -0.682 -1.901 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.683 0.927 -1.676 1.00 3.74 H new ATOM 813 N SER A 52 -18.317 -4.534 1.184 1.00 1.60 N ATOM 814 CA SER A 52 -19.096 -5.533 1.925 1.00 1.96 C ATOM 815 C SER A 52 -19.165 -6.853 1.147 1.00 1.85 C ATOM 816 O SER A 52 -18.974 -7.935 1.711 1.00 2.45 O ATOM 817 CB SER A 52 -20.524 -5.006 2.192 1.00 2.44 C ATOM 818 OG SER A 52 -20.709 -3.690 1.668 1.00 2.65 O ATOM 0 H SER A 52 -18.877 -3.767 0.813 1.00 1.60 H new ATOM 0 HA SER A 52 -18.599 -5.716 2.878 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.251 -5.682 1.742 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.715 -5.000 3.265 1.00 2.44 H new ATOM 0 HG SER A 52 -21.623 -3.390 1.853 1.00 2.65 H new ATOM 824 N GLU A 53 -19.457 -6.742 -0.147 1.00 1.45 N ATOM 825 CA GLU A 53 -19.577 -7.893 -1.040 1.00 1.37 C ATOM 826 C GLU A 53 -18.348 -7.985 -1.944 1.00 1.08 C ATOM 827 O GLU A 53 -18.285 -7.323 -2.980 1.00 1.24 O ATOM 828 CB GLU A 53 -20.847 -7.742 -1.885 1.00 1.73 C ATOM 829 CG GLU A 53 -22.109 -7.724 -1.006 1.00 2.39 C ATOM 830 CD GLU A 53 -23.184 -6.830 -1.614 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.872 -5.671 -1.972 1.00 3.23 O ATOM 832 OE2 GLU A 53 -24.343 -7.278 -1.723 1.00 3.46 O ATOM 0 H GLU A 53 -19.618 -5.847 -0.608 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.641 -8.808 -0.451 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.793 -6.820 -2.464 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.911 -8.564 -2.598 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.494 -8.738 -0.895 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.856 -7.368 -0.007 1.00 2.39 H new ATOM 839 N VAL A 54 -17.374 -8.803 -1.550 1.00 0.84 N ATOM 840 CA VAL A 54 -16.143 -8.981 -2.333 1.00 0.66 C ATOM 841 C VAL A 54 -16.342 -10.068 -3.398 1.00 0.55 C ATOM 842 O VAL A 54 -16.050 -9.838 -4.572 1.00 0.49 O ATOM 843 CB VAL A 54 -14.945 -9.326 -1.421 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.642 -8.820 -2.036 1.00 0.77 C ATOM 845 CG2 VAL A 54 -15.131 -8.739 -0.018 1.00 1.34 C ATOM 0 H VAL A 54 -17.409 -9.355 -0.693 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.920 -8.038 -2.832 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.894 -10.411 -1.331 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.808 -9.072 -1.380 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.493 -9.289 -3.009 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.694 -7.738 -2.158 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.272 -8.998 0.602 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.216 -7.654 -0.086 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -16.038 -9.146 0.430 1.00 1.34 H new ATOM 855 N PRO A 55 -16.846 -11.272 -3.011 1.00 0.62 N ATOM 856 CA PRO A 55 -17.075 -12.382 -3.944 1.00 0.59 C ATOM 857 C PRO A 55 -18.518 -12.409 -4.462 1.00 0.58 C ATOM 858 O PRO A 55 -19.464 -12.402 -3.669 1.00 0.83 O ATOM 859 CB PRO A 55 -16.803 -13.613 -3.081 1.00 0.76 C ATOM 860 CG PRO A 55 -17.068 -13.187 -1.660 1.00 0.87 C ATOM 861 CD PRO A 55 -17.228 -11.678 -1.645 1.00 0.83 C ATOM 0 HA PRO A 55 -16.449 -12.313 -4.834 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.450 -14.442 -3.368 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.775 -13.955 -3.201 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.968 -13.669 -1.279 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.246 -13.490 -1.012 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.252 -11.386 -1.412 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.586 -11.215 -0.895 1.00 0.83 H new ATOM 869 N VAL A 56 -18.683 -12.457 -5.781 1.00 0.41 N ATOM 870 CA VAL A 56 -20.006 -12.511 -6.411 1.00 0.43 C ATOM 871 C VAL A 56 -20.023 -13.647 -7.435 1.00 0.42 C ATOM 872 O VAL A 56 -19.152 -13.725 -8.301 1.00 0.43 O ATOM 873 CB VAL A 56 -20.342 -11.173 -7.089 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.699 -11.247 -7.799 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.346 -10.032 -6.069 1.00 0.63 C ATOM 0 H VAL A 56 -17.908 -12.460 -6.445 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.761 -12.696 -5.647 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.570 -10.973 -7.832 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.915 -10.289 -8.271 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.670 -12.028 -8.559 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.478 -11.477 -7.072 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.586 -9.095 -6.572 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.093 -10.233 -5.301 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.362 -9.954 -5.607 1.00 0.63 H new ATOM 885 N SER A 57 -21.005 -14.532 -7.320 1.00 0.47 N ATOM 886 CA SER A 57 -21.145 -15.678 -8.211 1.00 0.48 C ATOM 887 C SER A 57 -21.848 -15.287 -9.518 1.00 0.46 C ATOM 888 O SER A 57 -22.880 -14.613 -9.503 1.00 0.59 O ATOM 889 CB SER A 57 -21.934 -16.772 -7.496 1.00 0.61 C ATOM 890 OG SER A 57 -21.731 -16.731 -6.084 1.00 0.91 O ATOM 0 H SER A 57 -21.729 -14.476 -6.604 1.00 0.47 H new ATOM 0 HA SER A 57 -20.151 -16.044 -8.468 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.996 -16.657 -7.715 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.633 -17.747 -7.879 1.00 0.61 H new ATOM 0 HG SER A 57 -22.252 -17.443 -5.658 1.00 0.91 H new ATOM 896 N LEU A 58 -21.294 -15.742 -10.645 1.00 0.44 N ATOM 897 CA LEU A 58 -21.860 -15.474 -11.973 1.00 0.49 C ATOM 898 C LEU A 58 -22.891 -16.548 -12.322 1.00 0.60 C ATOM 899 O LEU A 58 -22.789 -17.223 -13.349 1.00 0.89 O ATOM 900 CB LEU A 58 -20.745 -15.449 -13.027 1.00 0.67 C ATOM 901 CG LEU A 58 -19.763 -14.304 -12.782 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.605 -14.359 -13.785 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.477 -12.953 -12.861 1.00 0.60 C ATOM 0 H LEU A 58 -20.443 -16.305 -10.665 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.351 -14.501 -11.961 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -20.209 -16.398 -13.013 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -21.184 -15.346 -14.019 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.353 -14.417 -11.778 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.918 -13.535 -13.593 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -18.076 -15.306 -13.678 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.997 -14.275 -14.799 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.760 -12.152 -12.684 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.919 -12.832 -13.850 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.262 -12.911 -12.106 1.00 0.60 H new ATOM 915 N LYS A 59 -23.887 -16.692 -11.451 1.00 0.70 N ATOM 916 CA LYS A 59 -24.961 -17.667 -11.623 1.00 0.90 C ATOM 917 C LYS A 59 -25.937 -17.161 -12.690 1.00 0.87 C ATOM 918 O LYS A 59 -26.772 -16.297 -12.413 1.00 0.95 O ATOM 919 CB LYS A 59 -25.681 -17.867 -10.277 1.00 1.13 C ATOM 920 CG LYS A 59 -25.462 -19.276 -9.715 1.00 1.41 C ATOM 921 CD LYS A 59 -26.420 -20.301 -10.339 1.00 1.78 C ATOM 922 CE LYS A 59 -27.662 -20.532 -9.466 1.00 2.18 C ATOM 923 NZ LYS A 59 -28.651 -19.427 -9.603 1.00 2.83 N ATOM 0 H LYS A 59 -23.972 -16.133 -10.602 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.554 -18.624 -11.949 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -25.320 -17.130 -9.559 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.749 -17.690 -10.407 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.433 -19.583 -9.899 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.602 -19.261 -8.634 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.729 -19.955 -11.325 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.897 -21.246 -10.482 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -28.131 -21.476 -9.745 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -27.360 -20.622 -8.422 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -29.607 -19.792 -9.420 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -28.430 -18.676 -8.918 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -28.607 -19.040 -10.567 1.00 2.83 H new ATOM 937 N GLU A 60 -25.798 -17.682 -13.918 1.00 0.89 N ATOM 938 CA GLU A 60 -26.638 -17.282 -15.061 1.00 0.93 C ATOM 939 C GLU A 60 -26.463 -15.783 -15.341 1.00 0.71 C ATOM 940 O GLU A 60 -27.433 -15.027 -15.388 1.00 0.82 O ATOM 941 CB GLU A 60 -28.119 -17.619 -14.805 1.00 1.20 C ATOM 942 CG GLU A 60 -28.316 -19.096 -14.433 1.00 1.43 C ATOM 943 CD GLU A 60 -29.411 -19.241 -13.386 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.112 -19.120 -12.182 1.00 2.33 O ATOM 945 OE2 GLU A 60 -30.584 -19.455 -13.763 1.00 2.04 O ATOM 0 H GLU A 60 -25.102 -18.391 -14.148 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.317 -17.844 -15.938 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.501 -16.989 -14.002 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.703 -17.388 -15.696 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -28.577 -19.669 -15.322 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.382 -19.508 -14.051 1.00 1.43 H new ATOM 952 N ALA A 61 -25.207 -15.367 -15.503 1.00 0.51 N ATOM 953 CA ALA A 61 -24.871 -13.969 -15.751 1.00 0.35 C ATOM 954 C ALA A 61 -25.167 -13.571 -17.196 1.00 0.35 C ATOM 955 O ALA A 61 -24.393 -13.875 -18.111 1.00 0.43 O ATOM 956 CB ALA A 61 -23.392 -13.729 -15.435 1.00 0.31 C ATOM 0 H ALA A 61 -24.399 -15.988 -15.466 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.490 -13.351 -15.100 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.145 -12.684 -15.622 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.200 -13.966 -14.388 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.776 -14.366 -16.070 1.00 0.31 H new ATOM 962 N ILE A 62 -26.275 -12.860 -17.390 1.00 0.34 N ATOM 963 CA ILE A 62 -26.670 -12.372 -18.709 1.00 0.37 C ATOM 964 C ILE A 62 -25.952 -11.044 -18.953 1.00 0.31 C ATOM 965 O ILE A 62 -25.889 -10.192 -18.058 1.00 0.31 O ATOM 966 CB ILE A 62 -28.197 -12.191 -18.791 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.919 -13.419 -18.222 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.637 -11.953 -20.237 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.419 -13.384 -18.529 1.00 1.27 C ATOM 0 H ILE A 62 -26.921 -12.607 -16.642 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.391 -13.095 -19.475 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.464 -11.318 -18.195 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.482 -14.325 -18.642 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.769 -13.463 -17.143 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.719 -11.828 -20.272 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.155 -11.054 -20.621 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.351 -12.808 -20.850 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.897 -14.270 -18.110 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.860 -12.491 -18.087 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.569 -13.367 -19.608 1.00 1.27 H new ATOM 981 N CYS A 63 -25.392 -10.873 -20.146 1.00 0.34 N ATOM 982 CA CYS A 63 -24.652 -9.655 -20.483 1.00 0.33 C ATOM 983 C CYS A 63 -25.145 -9.065 -21.810 1.00 0.34 C ATOM 984 O CYS A 63 -25.352 -9.785 -22.790 1.00 0.52 O ATOM 985 CB CYS A 63 -23.152 -9.974 -20.541 1.00 0.37 C ATOM 986 SG CYS A 63 -22.133 -8.524 -20.863 1.00 0.53 S ATOM 0 H CYS A 63 -25.435 -11.561 -20.898 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.825 -8.904 -19.712 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.845 -10.424 -19.597 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.974 -10.716 -21.320 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.647 -7.491 -20.264 1.00 0.53 H new ATOM 992 N GLU A 64 -25.322 -7.744 -21.815 1.00 0.26 N ATOM 993 CA GLU A 64 -25.784 -6.992 -22.989 1.00 0.29 C ATOM 994 C GLU A 64 -24.752 -5.918 -23.339 1.00 0.24 C ATOM 995 O GLU A 64 -24.154 -5.316 -22.449 1.00 0.36 O ATOM 996 CB GLU A 64 -27.141 -6.340 -22.674 1.00 0.33 C ATOM 997 CG GLU A 64 -27.992 -6.152 -23.930 1.00 0.81 C ATOM 998 CD GLU A 64 -29.135 -5.191 -23.641 1.00 1.41 C ATOM 999 OE1 GLU A 64 -30.213 -5.648 -23.214 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -28.961 -3.975 -23.846 1.00 1.83 O ATOM 0 H GLU A 64 -25.148 -7.158 -20.999 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.901 -7.665 -23.839 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.683 -6.958 -21.958 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -26.977 -5.373 -22.199 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.377 -5.765 -24.742 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -28.387 -7.113 -24.259 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.549 -5.675 -24.629 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.586 -4.670 -25.087 1.00 0.32 C ATOM 1009 C VAL A 65 -24.236 -3.282 -25.113 1.00 0.31 C ATOM 1010 O VAL A 65 -25.393 -3.135 -25.522 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.065 -5.039 -26.482 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.918 -4.113 -26.894 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.604 -6.498 -26.519 1.00 0.39 C ATOM 0 H VAL A 65 -25.038 -6.160 -25.381 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.746 -4.646 -24.392 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.883 -4.915 -27.191 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.563 -4.392 -27.886 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.271 -3.082 -26.912 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.101 -4.205 -26.178 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.238 -6.739 -27.517 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.803 -6.645 -25.794 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.441 -7.151 -26.272 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.484 -2.270 -24.679 1.00 0.25 N ATOM 1024 CA ALA A 66 -23.961 -0.883 -24.652 1.00 0.31 C ATOM 1025 C ALA A 66 -22.889 0.032 -25.252 1.00 0.34 C ATOM 1026 O ALA A 66 -22.150 0.713 -24.535 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.302 -0.462 -23.215 1.00 0.36 C ATOM 0 H ALA A 66 -22.530 -2.386 -24.337 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.870 -0.799 -25.247 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.654 0.569 -23.212 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.082 -1.113 -22.821 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.412 -0.543 -22.591 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.812 0.032 -26.581 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.840 0.851 -27.319 1.00 0.71 C ATOM 1035 C LEU A 67 -22.175 2.343 -27.178 1.00 0.89 C ATOM 1036 O LEU A 67 -21.277 3.184 -27.079 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.845 0.434 -28.804 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.437 0.387 -29.421 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.875 1.793 -29.647 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -19.480 -0.445 -28.564 1.00 1.38 C ATOM 0 H LEU A 67 -23.417 -0.531 -27.179 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.845 0.689 -26.903 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.310 -0.547 -28.898 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.460 1.134 -29.370 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.529 -0.097 -30.393 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.879 1.721 -30.084 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.529 2.342 -30.324 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -19.816 2.319 -28.694 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -18.494 -0.458 -29.028 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -19.407 -0.006 -27.569 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -19.857 -1.465 -28.484 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.473 2.659 -27.169 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.948 4.039 -27.041 1.00 1.14 C ATOM 1054 C ASP A 68 -24.828 4.182 -25.797 1.00 0.87 C ATOM 1055 O ASP A 68 -26.037 4.396 -25.900 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.723 4.434 -28.314 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.095 5.921 -28.321 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.347 6.742 -27.760 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.147 6.268 -28.900 1.00 2.62 O ATOM 0 H ASP A 68 -24.220 1.969 -27.250 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.096 4.709 -26.928 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.118 4.207 -29.192 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.629 3.833 -28.388 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.209 4.083 -24.618 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.930 4.229 -23.345 1.00 0.69 C ATOM 1066 C TYR A 69 -24.971 5.717 -22.988 1.00 0.97 C ATOM 1067 O TYR A 69 -24.118 6.204 -22.245 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.234 3.427 -22.227 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.912 3.585 -20.882 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.213 3.139 -20.693 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.224 4.161 -19.827 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.819 3.269 -19.454 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.833 4.294 -18.593 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.174 3.898 -18.441 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.724 3.968 -17.176 1.00 0.97 O ATOM 0 H TYR A 69 -23.210 3.902 -24.515 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.943 3.839 -23.447 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.218 2.372 -22.499 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.196 3.751 -22.146 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.754 2.690 -21.513 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.211 4.507 -19.968 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.809 2.868 -19.295 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.285 4.698 -17.755 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.117 4.456 -16.582 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.941 6.436 -23.572 1.00 1.40 N ATOM 1086 CA LYS A 70 -26.110 7.894 -23.390 1.00 1.81 C ATOM 1087 C LYS A 70 -25.038 8.659 -24.186 1.00 1.82 C ATOM 1088 O LYS A 70 -25.288 9.750 -24.698 1.00 2.53 O ATOM 1089 CB LYS A 70 -26.087 8.299 -21.902 1.00 2.43 C ATOM 1090 CG LYS A 70 -27.022 7.425 -21.052 1.00 2.98 C ATOM 1091 CD LYS A 70 -28.442 7.383 -21.633 1.00 3.79 C ATOM 1092 CE LYS A 70 -29.428 6.692 -20.681 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.700 7.519 -19.472 1.00 4.84 N ATOM 0 H LYS A 70 -26.639 6.022 -24.190 1.00 1.40 H new ATOM 0 HA LYS A 70 -27.093 8.163 -23.776 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -25.069 8.218 -21.520 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -26.382 9.344 -21.806 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.622 6.413 -20.995 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -27.057 7.812 -20.034 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -28.782 8.399 -21.834 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -28.429 6.856 -22.587 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -30.363 6.496 -21.205 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.024 5.726 -20.378 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.502 7.114 -18.948 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -28.858 7.530 -18.862 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -29.931 8.491 -19.761 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.856 8.054 -24.301 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.727 8.613 -25.039 1.00 2.22 C ATOM 1109 C LYS A 71 -21.956 7.467 -25.706 1.00 2.19 C ATOM 1110 O LYS A 71 -21.912 6.353 -25.175 1.00 2.78 O ATOM 1111 CB LYS A 71 -21.803 9.387 -24.086 1.00 2.97 C ATOM 1112 CG LYS A 71 -22.510 10.596 -23.470 1.00 3.56 C ATOM 1113 CD LYS A 71 -21.514 11.521 -22.771 1.00 4.44 C ATOM 1114 CE LYS A 71 -22.199 12.793 -22.267 1.00 5.27 C ATOM 1115 NZ LYS A 71 -21.292 13.597 -21.406 1.00 5.62 N ATOM 0 H LYS A 71 -23.654 7.148 -23.877 1.00 1.80 H new ATOM 0 HA LYS A 71 -23.091 9.303 -25.800 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -21.460 8.723 -23.293 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -20.918 9.720 -24.628 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -23.038 11.147 -24.248 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -23.259 10.257 -22.755 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -21.053 10.997 -21.934 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -20.713 11.785 -23.461 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -22.523 13.394 -23.117 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -23.094 12.527 -21.705 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -21.788 14.452 -21.082 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -21.003 13.031 -20.583 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -20.449 13.871 -21.950 1.00 5.62 H new ATOM 1129 N LYS A 72 -21.358 7.735 -26.867 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.600 6.716 -27.608 1.00 2.54 C ATOM 1131 C LYS A 72 -19.289 6.373 -26.886 1.00 1.92 C ATOM 1132 O LYS A 72 -18.391 7.216 -26.769 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.308 7.195 -29.041 1.00 3.71 C ATOM 1134 CG LYS A 72 -20.073 8.711 -29.117 1.00 4.59 C ATOM 1135 CD LYS A 72 -19.233 9.092 -30.344 1.00 5.67 C ATOM 1136 CE LYS A 72 -17.765 9.365 -29.969 1.00 6.56 C ATOM 1137 NZ LYS A 72 -16.828 8.391 -30.602 1.00 7.03 N ATOM 0 H LYS A 72 -21.382 8.649 -27.319 1.00 2.22 H new ATOM 0 HA LYS A 72 -21.210 5.814 -27.658 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.430 6.675 -29.423 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -21.143 6.927 -29.688 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -21.032 9.227 -29.158 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -19.568 9.047 -28.211 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -19.277 8.288 -31.079 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -19.659 9.978 -30.815 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -17.496 10.376 -30.275 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -17.655 9.320 -28.886 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -15.852 8.615 -30.321 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -17.066 7.428 -30.290 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -16.912 8.451 -31.637 1.00 7.03 H new ATOM 1151 N LYS A 73 -19.179 5.133 -26.414 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.981 4.663 -25.712 1.00 1.35 C ATOM 1153 C LYS A 73 -17.940 3.126 -25.728 1.00 1.05 C ATOM 1154 O LYS A 73 -18.174 2.519 -26.773 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.938 5.230 -24.279 1.00 1.94 C ATOM 1156 CG LYS A 73 -19.222 4.959 -23.492 1.00 2.32 C ATOM 1157 CD LYS A 73 -19.784 6.254 -22.895 1.00 2.93 C ATOM 1158 CE LYS A 73 -18.894 6.776 -21.761 1.00 3.52 C ATOM 1159 NZ LYS A 73 -19.418 8.048 -21.183 1.00 3.96 N ATOM 0 H LYS A 73 -19.911 4.428 -26.505 1.00 1.52 H new ATOM 0 HA LYS A 73 -17.091 5.026 -26.226 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -17.093 4.794 -23.747 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -17.766 6.305 -24.324 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -19.965 4.504 -24.147 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -19.020 4.244 -22.694 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -19.865 7.011 -23.675 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -20.791 6.076 -22.518 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -18.826 6.022 -20.977 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -17.884 6.937 -22.137 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -18.788 8.368 -20.420 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -19.460 8.775 -21.925 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -20.372 7.889 -20.801 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.626 2.495 -24.590 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.543 1.025 -24.505 1.00 0.38 C ATOM 1175 C HIS A 74 -18.101 0.545 -23.161 1.00 0.30 C ATOM 1176 O HIS A 74 -17.337 0.294 -22.223 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.079 0.559 -24.664 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.474 0.914 -25.994 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.668 2.009 -26.189 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -15.572 0.332 -27.216 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.293 2.101 -27.443 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.827 1.088 -28.104 1.00 1.53 N ATOM 0 H HIS A 74 -17.425 2.976 -23.713 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.137 0.595 -25.312 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.477 1.003 -23.871 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.034 -0.522 -24.531 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.131 -0.561 -27.453 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.660 2.869 -27.862 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -14.710 0.896 -29.099 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.430 0.418 -23.075 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.109 -0.035 -21.850 1.00 0.23 C ATOM 1192 C VAL A 75 -20.876 -1.332 -22.133 1.00 0.22 C ATOM 1193 O VAL A 75 -21.210 -1.631 -23.284 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.078 1.069 -21.358 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.947 0.595 -20.186 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.306 2.325 -20.954 1.00 0.31 C ATOM 0 H VAL A 75 -20.064 0.624 -23.847 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.370 -0.229 -21.073 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.740 1.304 -22.192 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.610 1.402 -19.875 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.542 -0.263 -20.498 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.307 0.309 -19.351 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.005 3.088 -20.612 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.612 2.082 -20.150 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.750 2.702 -21.812 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.173 -2.092 -21.082 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.928 -3.337 -21.207 1.00 0.23 C ATOM 1208 C PHE A 76 -22.676 -3.619 -19.903 1.00 0.22 C ATOM 1209 O PHE A 76 -22.190 -3.315 -18.809 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.020 -4.517 -21.602 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.884 -4.812 -20.643 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.669 -4.158 -20.780 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.044 -5.765 -19.647 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.620 -4.456 -19.925 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.997 -6.058 -18.789 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.784 -5.405 -18.929 1.00 0.29 C ATOM 0 H PHE A 76 -20.900 -1.865 -20.126 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.655 -3.221 -22.011 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.636 -5.412 -21.696 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.599 -4.315 -22.587 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.540 -3.416 -21.554 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.988 -6.280 -19.541 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.673 -3.948 -20.035 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.127 -6.796 -18.011 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.966 -5.635 -18.262 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.867 -4.196 -20.034 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.718 -4.531 -18.889 1.00 0.28 C ATOM 1228 C LYS A 77 -24.366 -5.916 -18.354 1.00 0.31 C ATOM 1229 O LYS A 77 -24.000 -6.812 -19.119 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.200 -4.520 -19.301 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.758 -3.104 -19.477 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.931 -2.869 -18.522 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.567 -1.491 -18.723 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.620 -1.226 -17.700 1.00 1.95 N ATOM 0 H LYS A 77 -24.272 -4.446 -20.936 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.549 -3.785 -18.113 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.317 -5.070 -20.235 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.786 -5.045 -18.547 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.974 -2.371 -19.287 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.085 -2.961 -20.507 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.684 -3.642 -18.676 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.585 -2.962 -17.493 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -27.798 -0.721 -18.664 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.003 -1.431 -19.720 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.454 -0.808 -18.160 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.890 -2.119 -17.240 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.252 -0.566 -16.986 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.509 -6.082 -17.045 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.243 -7.347 -16.373 1.00 0.24 C ATOM 1250 C LEU A 78 -25.380 -7.619 -15.388 1.00 0.29 C ATOM 1251 O LEU A 78 -25.491 -6.955 -14.353 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.890 -7.294 -15.644 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.003 -8.502 -15.969 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -20.888 -8.622 -14.929 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.814 -9.802 -16.046 1.00 0.30 C ATOM 0 H LEU A 78 -24.814 -5.339 -16.417 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.191 -8.154 -17.104 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.367 -6.378 -15.920 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.061 -7.251 -14.568 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.561 -8.341 -16.952 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.261 -9.482 -15.165 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.281 -7.717 -14.940 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.326 -8.753 -13.940 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.148 -10.633 -16.278 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.301 -9.984 -15.088 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.570 -9.714 -16.826 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.224 -8.591 -15.725 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.366 -8.970 -14.894 1.00 0.40 C ATOM 1269 C ARG A 79 -27.166 -10.390 -14.383 1.00 0.45 C ATOM 1270 O ARG A 79 -26.977 -11.317 -15.172 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.666 -8.877 -15.714 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.893 -9.319 -14.902 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.188 -9.154 -15.705 1.00 1.51 C ATOM 1274 NE ARG A 79 -32.294 -8.693 -14.848 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.836 -9.463 -13.900 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.317 -10.656 -14.220 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.917 -9.020 -12.647 1.00 2.99 N ATOM 0 H ARG A 79 -26.136 -9.138 -16.581 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.441 -8.290 -14.045 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.807 -7.851 -16.054 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.578 -9.499 -16.605 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.778 -10.362 -14.606 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.955 -8.732 -13.986 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.029 -8.440 -16.513 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.455 -10.104 -16.168 1.00 1.51 H new ATOM 0 HE ARG A 79 -32.660 -7.751 -14.983 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -33.272 -10.982 -15.186 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.732 -11.248 -13.501 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.565 -8.092 -12.410 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.331 -9.608 -11.924 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.227 -10.556 -13.064 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.071 -11.872 -12.430 1.00 0.68 C ATOM 1293 C LEU A 80 -28.337 -12.708 -12.658 1.00 0.84 C ATOM 1294 O LEU A 80 -29.144 -12.402 -13.539 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.818 -11.677 -10.926 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.439 -11.055 -10.644 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.104 -11.143 -9.153 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.336 -11.722 -11.469 1.00 1.26 C ATOM 0 H LEU A 80 -27.384 -9.793 -12.406 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.224 -12.399 -12.869 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.595 -11.037 -10.509 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.891 -12.639 -10.419 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.490 -10.007 -10.938 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.125 -10.698 -8.973 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.858 -10.605 -8.578 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.090 -12.188 -8.844 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.378 -11.254 -11.241 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.289 -12.783 -11.224 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.554 -11.604 -12.530 1.00 1.26 H new ATOM 1310 N SER A 81 -28.527 -13.751 -11.851 1.00 1.01 N ATOM 1311 CA SER A 81 -29.713 -14.607 -11.965 1.00 1.23 C ATOM 1312 C SER A 81 -30.976 -13.751 -11.791 1.00 1.40 C ATOM 1313 O SER A 81 -31.861 -13.766 -12.646 1.00 1.92 O ATOM 1314 CB SER A 81 -29.670 -15.739 -10.923 1.00 1.52 C ATOM 1315 OG SER A 81 -30.331 -16.898 -11.415 1.00 2.18 O ATOM 0 H SER A 81 -27.879 -14.025 -11.113 1.00 1.01 H new ATOM 0 HA SER A 81 -29.729 -15.068 -12.952 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.635 -15.979 -10.682 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.144 -15.408 -9.999 1.00 1.52 H new ATOM 0 HG SER A 81 -29.710 -17.656 -11.407 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.999 -12.981 -10.698 1.00 1.33 N ATOM 1322 CA ASP A 82 -32.091 -12.054 -10.361 1.00 1.76 C ATOM 1323 C ASP A 82 -31.890 -11.539 -8.930 1.00 1.31 C ATOM 1324 O ASP A 82 -32.698 -11.822 -8.044 1.00 1.74 O ATOM 1325 CB ASP A 82 -33.480 -12.715 -10.468 1.00 2.76 C ATOM 1326 CG ASP A 82 -34.583 -11.663 -10.331 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -34.411 -10.541 -10.847 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -35.633 -11.964 -9.711 1.00 3.77 O ATOM 0 H ASP A 82 -30.247 -12.983 -10.009 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.060 -11.235 -11.080 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -33.574 -13.227 -11.426 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -33.591 -13.471 -9.691 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.805 -10.801 -8.699 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.505 -10.268 -7.366 1.00 1.53 C ATOM 1335 C GLY A 83 -29.758 -8.941 -7.446 1.00 1.31 C ATOM 1336 O GLY A 83 -30.018 -8.029 -6.631 1.00 1.88 O ATOM 0 H GLY A 83 -30.119 -10.558 -9.414 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.433 -10.131 -6.811 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -29.906 -10.990 -6.811 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.823 -8.827 -8.418 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.030 -7.611 -8.593 1.00 0.71 C ATOM 1342 C ASN A 84 -27.852 -7.336 -10.084 1.00 0.62 C ATOM 1343 O ASN A 84 -27.833 -8.272 -10.895 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.640 -7.741 -7.933 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.688 -8.405 -6.550 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.690 -9.631 -6.441 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.705 -7.606 -5.493 1.00 1.32 N ATOM 0 H ASN A 84 -28.608 -9.567 -9.086 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.560 -6.789 -8.113 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.988 -8.322 -8.585 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.196 -6.750 -7.838 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -26.720 -8.003 -4.554 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.703 -6.594 -5.619 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.717 -6.050 -10.424 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.526 -5.586 -11.800 1.00 0.55 C ATOM 1356 C GLU A 85 -26.514 -4.437 -11.793 1.00 0.47 C ATOM 1357 O GLU A 85 -26.685 -3.456 -11.057 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.860 -5.108 -12.386 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.720 -6.290 -12.836 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.125 -5.835 -13.222 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.257 -4.959 -14.103 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.103 -6.362 -12.643 1.00 1.39 O ATOM 0 H GLU A 85 -27.738 -5.293 -9.741 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.154 -6.404 -12.417 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.400 -4.525 -11.640 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.673 -4.448 -13.233 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.248 -6.784 -13.686 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.781 -7.025 -12.034 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.456 -4.563 -12.594 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.403 -3.541 -12.660 1.00 0.31 C ATOM 1371 C TYR A 86 -24.008 -3.235 -14.108 1.00 0.29 C ATOM 1372 O TYR A 86 -24.130 -4.085 -14.994 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.155 -4.027 -11.909 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.413 -4.520 -10.502 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.727 -5.851 -10.267 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.315 -3.641 -9.442 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.941 -6.293 -8.971 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.529 -4.082 -8.149 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.839 -5.405 -7.916 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.058 -5.841 -6.626 1.00 0.77 O ATOM 0 H TYR A 86 -25.302 -5.363 -13.208 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.798 -2.634 -12.201 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.694 -4.831 -12.482 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.433 -3.211 -11.867 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.805 -6.542 -11.093 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -23.070 -2.605 -9.623 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -24.187 -7.328 -8.786 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.453 -3.391 -7.323 1.00 0.67 H new ATOM 0 HH TYR A 86 -24.326 -5.083 -6.066 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.478 -2.026 -14.315 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.983 -1.576 -15.623 1.00 0.23 C ATOM 1392 C LEU A 87 -21.461 -1.566 -15.563 1.00 0.22 C ATOM 1393 O LEU A 87 -20.882 -1.128 -14.562 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.468 -0.156 -15.957 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.990 -0.031 -16.012 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.382 1.226 -16.783 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.631 -1.255 -16.659 1.00 0.38 C ATOM 0 H LEU A 87 -23.379 -1.328 -13.578 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.358 -2.250 -16.393 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.081 0.537 -15.210 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.051 0.146 -16.918 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.356 0.038 -14.988 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.468 1.308 -16.818 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.968 2.102 -16.285 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.990 1.167 -17.798 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.714 -1.130 -16.681 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.258 -1.366 -17.677 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.380 -2.145 -16.082 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.813 -2.041 -16.620 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.351 -2.083 -16.673 1.00 0.19 C ATOM 1411 C PHE A 88 -18.843 -1.363 -17.914 1.00 0.20 C ATOM 1412 O PHE A 88 -19.443 -1.459 -18.986 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.867 -3.534 -16.661 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.915 -4.153 -15.282 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.854 -3.989 -14.404 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.026 -4.879 -14.888 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.904 -4.550 -13.139 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.077 -5.441 -13.623 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.019 -5.277 -12.748 1.00 0.22 C ATOM 0 H PHE A 88 -21.275 -2.404 -17.454 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.954 -1.574 -15.795 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.482 -4.124 -17.341 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.845 -3.575 -17.038 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -16.986 -3.422 -14.708 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.855 -5.007 -15.568 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.076 -4.422 -12.458 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.945 -6.008 -13.320 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.061 -5.714 -11.761 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.733 -0.643 -17.759 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.119 0.106 -18.861 1.00 0.26 C ATOM 1431 C GLN A 89 -15.661 -0.319 -19.041 1.00 0.22 C ATOM 1432 O GLN A 89 -14.901 -0.385 -18.070 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.197 1.615 -18.583 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.037 2.434 -19.863 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.354 3.903 -19.593 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -18.481 4.250 -19.241 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.364 4.764 -19.748 1.00 1.63 N ATOM 0 H GLN A 89 -17.234 -0.561 -16.873 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.665 -0.112 -19.779 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.154 1.850 -18.118 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.419 1.895 -17.872 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.019 2.338 -20.240 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.701 2.047 -20.636 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.444 4.436 -20.041 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -16.520 5.757 -19.574 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.281 -0.589 -20.291 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.911 -0.996 -20.636 1.00 0.24 C ATOM 1448 C ALA A 90 -13.165 0.171 -21.287 1.00 0.27 C ATOM 1449 O ALA A 90 -13.762 1.210 -21.595 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.950 -2.191 -21.592 1.00 0.29 C ATOM 0 H ALA A 90 -15.909 -0.533 -21.093 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.386 -1.285 -19.725 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.932 -2.488 -21.844 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.463 -3.024 -21.112 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.483 -1.912 -22.501 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.864 -0.004 -21.498 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.029 1.033 -22.116 1.00 0.44 C ATOM 1458 C LYS A 91 -10.967 0.841 -23.632 1.00 0.49 C ATOM 1459 O LYS A 91 -11.125 1.798 -24.393 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.613 0.987 -21.528 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.611 1.277 -20.019 1.00 1.26 C ATOM 1462 CD LYS A 91 -8.880 0.188 -19.223 1.00 1.43 C ATOM 1463 CE LYS A 91 -9.856 -0.638 -18.375 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.310 -1.988 -18.051 1.00 2.29 N ATOM 0 H LYS A 91 -11.359 -0.855 -21.251 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.474 2.005 -21.905 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.176 0.005 -21.710 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -8.984 1.716 -22.039 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.135 2.240 -19.836 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -10.639 1.357 -19.664 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.346 -0.469 -19.909 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -8.133 0.648 -18.576 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -10.075 -0.104 -17.450 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -10.799 -0.747 -18.911 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -9.490 -2.204 -17.050 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.774 -2.702 -18.648 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -8.285 -2.000 -18.229 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.731 -0.400 -24.063 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.631 -0.733 -25.492 1.00 0.66 C ATOM 1480 C ASP A 92 -11.753 -1.693 -25.908 1.00 0.59 C ATOM 1481 O ASP A 92 -12.266 -2.462 -25.091 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.259 -1.367 -25.776 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.025 -1.521 -27.277 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.554 -0.561 -27.922 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.316 -2.604 -27.819 1.00 2.01 O ATOM 0 H ASP A 92 -10.604 -1.198 -23.441 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.736 0.183 -26.074 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.473 -0.748 -25.344 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.199 -2.342 -25.293 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.112 -1.646 -27.196 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.163 -2.505 -27.775 1.00 0.63 C ATOM 1492 C ASP A 93 -12.807 -3.992 -27.628 1.00 0.49 C ATOM 1493 O ASP A 93 -13.659 -4.808 -27.267 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.360 -2.148 -29.260 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.560 -2.883 -29.862 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -15.704 -2.427 -29.666 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -14.366 -3.924 -30.519 1.00 2.13 O ATOM 0 H ASP A 93 -11.684 -1.012 -27.871 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.092 -2.330 -27.233 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.504 -1.072 -29.360 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.459 -2.402 -29.819 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.538 -4.333 -27.885 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.059 -5.719 -27.764 1.00 0.41 C ATOM 1504 C GLU A 94 -11.174 -6.192 -26.312 1.00 0.36 C ATOM 1505 O GLU A 94 -11.557 -7.334 -26.043 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.607 -5.815 -28.240 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.469 -5.397 -29.706 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.087 -5.769 -30.224 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.111 -5.076 -29.879 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.977 -6.747 -30.990 1.00 2.59 O ATOM 0 H GLU A 94 -10.822 -3.668 -28.179 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.677 -6.363 -28.390 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.976 -5.179 -27.618 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.249 -6.837 -28.117 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.236 -5.887 -30.306 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.626 -4.323 -29.803 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.872 -5.289 -25.377 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.967 -5.581 -23.948 1.00 0.29 C ATOM 1519 C GLU A 95 -12.430 -5.834 -23.571 1.00 0.24 C ATOM 1520 O GLU A 95 -12.750 -6.804 -22.883 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.407 -4.408 -23.134 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.953 -4.858 -21.739 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.119 -3.746 -20.703 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.415 -2.588 -21.081 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -9.953 -4.033 -19.500 1.00 1.30 O ATOM 0 H GLU A 95 -10.557 -4.342 -25.588 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.382 -6.473 -23.724 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.566 -3.963 -23.666 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.168 -3.634 -23.038 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.531 -5.730 -21.432 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -8.908 -5.166 -21.778 1.00 0.42 H new ATOM 1532 N MET A 96 -13.316 -4.954 -24.054 1.00 0.24 N ATOM 1533 CA MET A 96 -14.761 -5.054 -23.803 1.00 0.22 C ATOM 1534 C MET A 96 -15.307 -6.405 -24.284 1.00 0.22 C ATOM 1535 O MET A 96 -16.029 -7.091 -23.556 1.00 0.23 O ATOM 1536 CB MET A 96 -15.493 -3.908 -24.521 1.00 0.26 C ATOM 1537 CG MET A 96 -16.905 -3.699 -23.965 1.00 0.39 C ATOM 1538 SD MET A 96 -17.897 -2.597 -24.990 1.00 0.94 S ATOM 1539 CE MET A 96 -18.054 -3.573 -26.498 1.00 0.77 C ATOM 0 H MET A 96 -13.053 -4.154 -24.629 1.00 0.24 H new ATOM 0 HA MET A 96 -14.932 -4.978 -22.729 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.920 -2.987 -24.414 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.551 -4.125 -25.588 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.406 -4.664 -23.884 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.838 -3.289 -22.957 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.945 -3.260 -27.043 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.174 -3.421 -27.123 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.138 -4.629 -26.241 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.943 -6.785 -25.513 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.378 -8.057 -26.115 1.00 0.28 C ATOM 1551 C ASN A 97 -14.909 -9.250 -25.270 1.00 0.26 C ATOM 1552 O ASN A 97 -15.677 -10.179 -25.012 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.827 -8.162 -27.550 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.434 -9.354 -28.300 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.625 -9.648 -28.170 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.615 -10.040 -29.086 1.00 1.24 N ATOM 0 H ASN A 97 -14.342 -6.226 -26.118 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.467 -8.078 -26.146 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.043 -7.241 -28.092 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.742 -8.265 -27.518 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.964 -10.843 -29.610 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.636 -9.765 -29.167 1.00 1.24 H new ATOM 1563 N THR A 98 -13.649 -9.210 -24.833 1.00 0.25 N ATOM 1564 CA THR A 98 -13.074 -10.280 -24.009 1.00 0.27 C ATOM 1565 C THR A 98 -13.753 -10.347 -22.629 1.00 0.23 C ATOM 1566 O THR A 98 -14.042 -11.436 -22.132 1.00 0.27 O ATOM 1567 CB THR A 98 -11.557 -10.077 -23.862 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.982 -9.774 -25.131 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.888 -11.326 -23.281 1.00 0.39 C ATOM 0 H THR A 98 -13.004 -8.446 -25.036 1.00 0.25 H new ATOM 0 HA THR A 98 -13.253 -11.231 -24.510 1.00 0.27 H new ATOM 0 HB THR A 98 -11.391 -9.246 -23.177 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.031 -8.808 -25.290 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.816 -11.154 -23.188 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.308 -11.540 -22.298 1.00 0.39 H new ATOM 0 HG23 THR A 98 -11.064 -12.174 -23.943 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.025 -9.182 -22.025 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.686 -9.114 -20.710 1.00 0.20 C ATOM 1579 C TRP A 99 -16.082 -9.748 -20.780 1.00 0.21 C ATOM 1580 O TRP A 99 -16.437 -10.590 -19.950 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.808 -7.649 -20.245 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.604 -7.142 -19.492 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.798 -6.091 -19.845 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.081 -7.648 -18.242 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -11.823 -5.945 -18.900 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -11.963 -6.868 -17.911 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.447 -8.683 -17.373 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.221 -7.091 -16.763 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.705 -8.911 -16.219 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.604 -8.120 -15.918 1.00 0.29 C ATOM 0 H TRP A 99 -13.798 -8.272 -22.425 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.078 -9.667 -19.994 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -14.973 -7.015 -21.116 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.688 -7.552 -19.610 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -12.915 -5.478 -20.727 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.088 -5.238 -18.932 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.303 -9.302 -17.598 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.363 -6.477 -16.532 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.988 -9.711 -15.551 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.041 -8.309 -15.016 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.864 -9.342 -21.784 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.227 -9.858 -21.987 1.00 0.24 C ATOM 1603 C ILE A 100 -18.210 -11.381 -22.202 1.00 0.28 C ATOM 1604 O ILE A 100 -18.993 -12.110 -21.590 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.877 -9.154 -23.193 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.113 -7.670 -22.888 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.199 -9.825 -23.590 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.423 -6.881 -24.157 1.00 0.29 C ATOM 0 H ILE A 100 -16.576 -8.651 -22.477 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.814 -9.650 -21.093 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.188 -9.240 -24.033 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.939 -7.569 -22.184 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.230 -7.252 -22.405 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.630 -9.303 -24.444 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -20.013 -10.865 -23.857 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.894 -9.784 -22.751 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.585 -5.833 -23.904 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.585 -6.962 -24.849 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.321 -7.284 -24.626 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.317 -11.849 -23.078 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.193 -13.282 -23.393 1.00 0.35 C ATOM 1622 C GLN A 101 -16.741 -14.099 -22.174 1.00 0.36 C ATOM 1623 O GLN A 101 -17.241 -15.203 -21.943 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.210 -13.471 -24.549 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.849 -13.067 -25.878 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.855 -13.228 -27.021 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.674 -12.903 -26.879 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.324 -13.724 -28.153 1.00 1.76 N ATOM 0 H GLN A 101 -16.663 -11.254 -23.587 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.178 -13.649 -23.684 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.316 -12.872 -24.374 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.892 -14.513 -24.595 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.730 -13.681 -26.066 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -17.187 -12.032 -25.826 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -17.308 -13.980 -28.228 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.701 -13.850 -28.951 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.802 -13.555 -21.392 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.292 -14.235 -20.192 1.00 0.37 C ATOM 1639 C ALA A 102 -16.417 -14.447 -19.168 1.00 0.38 C ATOM 1640 O ALA A 102 -16.521 -15.509 -18.555 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.161 -13.414 -19.566 1.00 0.38 C ATOM 0 H ALA A 102 -15.378 -12.644 -21.568 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.906 -15.211 -20.486 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.789 -13.925 -18.678 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.351 -13.302 -20.286 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.537 -12.430 -19.288 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.263 -13.428 -19.008 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.401 -13.476 -18.080 1.00 0.38 C ATOM 1649 C ILE A 103 -19.518 -14.374 -18.644 1.00 0.47 C ATOM 1650 O ILE A 103 -20.168 -15.110 -17.902 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.925 -12.049 -17.848 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.846 -11.178 -17.184 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.196 -12.056 -16.992 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.070 -9.693 -17.462 1.00 0.35 C ATOM 0 H ILE A 103 -17.182 -12.547 -19.515 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.074 -13.899 -17.130 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.172 -11.625 -18.821 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.849 -11.352 -16.108 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.863 -11.473 -17.551 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.542 -11.033 -16.846 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.971 -12.632 -17.497 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.980 -12.508 -16.024 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.288 -9.110 -16.976 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.041 -9.516 -18.537 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.042 -9.392 -17.071 1.00 0.35 H new ATOM 1666 N SER A 104 -19.733 -14.309 -19.963 1.00 0.53 N ATOM 1667 CA SER A 104 -20.769 -15.113 -20.635 1.00 0.66 C ATOM 1668 C SER A 104 -20.451 -16.617 -20.583 1.00 0.72 C ATOM 1669 O SER A 104 -21.355 -17.447 -20.646 1.00 0.89 O ATOM 1670 CB SER A 104 -20.912 -14.665 -22.094 1.00 0.81 C ATOM 1671 OG SER A 104 -21.270 -13.289 -22.166 1.00 1.05 O ATOM 0 H SER A 104 -19.202 -13.706 -20.592 1.00 0.53 H new ATOM 0 HA SER A 104 -21.707 -14.952 -20.104 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.974 -14.830 -22.624 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.670 -15.269 -22.592 1.00 0.81 H new ATOM 0 HG SER A 104 -20.499 -12.737 -21.918 1.00 1.05 H new ATOM 1677 N SER A 105 -19.167 -16.959 -20.469 1.00 0.80 N ATOM 1678 CA SER A 105 -18.729 -18.361 -20.408 1.00 1.13 C ATOM 1679 C SER A 105 -18.652 -18.871 -18.958 1.00 1.23 C ATOM 1680 O SER A 105 -18.145 -19.968 -18.714 1.00 1.61 O ATOM 1681 CB SER A 105 -17.357 -18.495 -21.080 1.00 1.48 C ATOM 1682 OG SER A 105 -17.365 -17.885 -22.369 1.00 1.63 O ATOM 0 H SER A 105 -18.405 -16.283 -20.417 1.00 0.80 H new ATOM 0 HA SER A 105 -19.465 -18.969 -20.934 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.594 -18.029 -20.456 1.00 1.48 H new ATOM 0 HB3 SER A 105 -17.093 -19.549 -21.172 1.00 1.48 H new ATOM 0 HG SER A 105 -17.307 -16.912 -22.271 1.00 1.63 H new ATOM 1688 N ALA A 106 -19.145 -18.080 -17.998 1.00 1.29 N ATOM 1689 CA ALA A 106 -19.120 -18.460 -16.581 1.00 1.59 C ATOM 1690 C ALA A 106 -20.282 -19.400 -16.256 1.00 2.40 C ATOM 1691 O ALA A 106 -21.388 -18.910 -15.947 1.00 3.00 O ATOM 1692 CB ALA A 106 -19.192 -17.204 -15.707 1.00 1.90 C ATOM 1693 OXT ALA A 106 -20.096 -20.629 -16.321 1.00 3.05 O ATOM 0 H ALA A 106 -19.568 -17.169 -18.178 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.188 -18.986 -16.374 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -19.173 -17.491 -14.656 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.339 -16.561 -15.923 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -20.115 -16.665 -15.920 1.00 1.90 H new TER 1699 ALA A 106