USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 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: B 28 ASN : amide:sc= 0.474 K(o=0.82,f=-5.4!) USER MOD Set 1.2: B 32 SER OG : rot -160:sc= -0.0113 USER MOD Set 1.3: B 36 LYS NZ :NH3+ -157:sc= 0.0119 (180deg=0) USER MOD Set 1.4: B 78 HIS : no HD1:sc= 0.343 K(o=0.82,f=-8!) USER MOD Set 2.1: A 28 ASN : amide:sc= 0.492 K(o=0.89,f=-5.4!) USER MOD Set 2.2: A 32 SER OG : rot -161:sc=-0.00919 USER MOD Set 2.3: A 36 LYS NZ :NH3+ -157:sc= 0.0109 (180deg=0) USER MOD Set 2.4: A 78 HIS : no HD1:sc= 0.393 K(o=0.89,f=-8!) USER MOD Single : A 18 SER OG : rot -81:sc= 0.449 USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 1.24 (180deg=0.526) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.687 USER MOD Single : A 31 SER OG : rot -81:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -129:sc= 1.32 USER MOD Single : A 48 ASN : amide:sc= -1.61! X(o=-1.6!,f=-1.7) USER MOD Single : A 51 MET CE :methyl 145:sc= -1.7! (180deg=-4.01!) USER MOD Single : A 53 CYS SG : rot 60:sc= 1.06 USER MOD Single : A 55 SER OG : rot 80:sc= 1.08 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.018 (180deg=-0.207) USER MOD Single : A 72 SER OG : rot 77:sc= -1.71! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 85 SER OG : rot 64:sc= 0.946 USER MOD Single : B 18 SER OG : rot -82:sc= 0.474 USER MOD Single : B 19 LYS NZ :NH3+ -115:sc= 1.21 (180deg=0.672) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.739 USER MOD Single : B 31 SER OG : rot -85:sc= 1.25 USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot -118:sc= 1.26 USER MOD Single : B 48 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.7) USER MOD Single : B 51 MET CE :methyl 152:sc= -1.71 (180deg=-4.08!) USER MOD Single : B 53 CYS SG : rot 61:sc= 1.07 USER MOD Single : B 55 SER OG : rot 79:sc= 1.06 USER MOD Single : B 66 SER OG : rot 180:sc= 0.00469 USER MOD Single : B 71 LYS NZ :NH3+ -167:sc= -0.029 (180deg=-0.219) USER MOD Single : B 72 SER OG : rot 78:sc= -1.67! USER MOD Single : B 84 ASN : amide:sc=-0.00168 X(o=-0.0017,f=-0.44) USER MOD Single : B 85 SER OG : rot 65:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.838 -6.901 6.122 1.00 0.93 N ATOM 49 CA ALA A 17 -7.519 -6.934 5.496 1.00 0.81 C ATOM 50 C ALA A 17 -6.409 -7.080 6.525 1.00 0.69 C ATOM 51 O ALA A 17 -6.082 -6.134 7.248 1.00 0.70 O ATOM 52 CB ALA A 17 -7.306 -5.680 4.665 1.00 1.09 C ATOM 0 HA ALA A 17 -7.481 -7.809 4.847 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.320 -5.713 4.202 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.069 -5.624 3.889 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.376 -4.802 5.307 1.00 1.09 H new ATOM 58 N SER A 18 -5.855 -8.276 6.605 1.00 0.64 N ATOM 59 CA SER A 18 -4.788 -8.554 7.542 1.00 0.61 C ATOM 60 C SER A 18 -3.457 -8.053 6.998 1.00 0.50 C ATOM 61 O SER A 18 -3.381 -7.605 5.851 1.00 0.45 O ATOM 62 CB SER A 18 -4.721 -10.052 7.841 1.00 0.66 C ATOM 63 OG SER A 18 -4.643 -10.815 6.651 1.00 1.32 O ATOM 0 H SER A 18 -6.129 -9.072 6.029 1.00 0.64 H new ATOM 0 HA SER A 18 -4.996 -8.026 8.473 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.853 -10.261 8.466 1.00 0.66 H new ATOM 0 HB3 SER A 18 -5.602 -10.351 8.409 1.00 0.66 H new ATOM 0 HG SER A 18 -5.540 -10.924 6.273 1.00 1.32 H new ATOM 69 N LYS A 19 -2.420 -8.132 7.816 1.00 0.50 N ATOM 70 CA LYS A 19 -1.113 -7.595 7.465 1.00 0.43 C ATOM 71 C LYS A 19 -0.618 -8.146 6.127 1.00 0.34 C ATOM 72 O LYS A 19 -0.216 -7.385 5.244 1.00 0.28 O ATOM 73 CB LYS A 19 -0.116 -7.907 8.585 1.00 0.54 C ATOM 74 CG LYS A 19 -0.493 -7.258 9.910 1.00 0.84 C ATOM 75 CD LYS A 19 0.285 -7.840 11.081 1.00 1.12 C ATOM 76 CE LYS A 19 1.768 -7.513 11.009 1.00 1.73 C ATOM 77 NZ LYS A 19 2.503 -8.062 12.178 1.00 2.10 N ATOM 0 H LYS A 19 -2.459 -8.568 8.738 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.202 -6.515 7.352 1.00 0.43 H new ATOM 0 HB2 LYS A 19 -0.054 -8.987 8.719 1.00 0.54 H new ATOM 0 HB3 LYS A 19 0.876 -7.566 8.288 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.309 -6.185 9.852 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.561 -7.389 10.085 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -0.125 -7.454 12.014 1.00 1.12 H new ATOM 0 HD3 LYS A 19 0.154 -8.922 11.099 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.188 -7.921 10.089 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.902 -6.432 10.968 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 2.840 -7.280 12.775 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.868 -8.672 12.732 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 3.316 -8.619 11.846 1.00 2.10 H new ATOM 91 N GLU A 20 -0.690 -9.462 5.963 1.00 0.41 N ATOM 92 CA GLU A 20 -0.192 -10.107 4.752 1.00 0.41 C ATOM 93 C GLU A 20 -1.051 -9.750 3.538 1.00 0.34 C ATOM 94 O GLU A 20 -0.535 -9.601 2.431 1.00 0.30 O ATOM 95 CB GLU A 20 -0.133 -11.629 4.939 1.00 0.57 C ATOM 96 CG GLU A 20 -1.493 -12.285 5.114 1.00 0.64 C ATOM 97 CD GLU A 20 -1.389 -13.739 5.519 1.00 0.95 C ATOM 98 OE1 GLU A 20 -1.162 -14.594 4.639 1.00 1.57 O ATOM 99 OE2 GLU A 20 -1.526 -14.029 6.727 1.00 1.49 O ATOM 0 H GLU A 20 -1.087 -10.102 6.651 1.00 0.41 H new ATOM 0 HA GLU A 20 0.817 -9.738 4.568 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.364 -12.072 4.076 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.482 -11.854 5.810 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -2.060 -11.741 5.869 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.051 -12.210 4.181 1.00 0.64 H new ATOM 106 N GLU A 21 -2.354 -9.592 3.756 1.00 0.37 N ATOM 107 CA GLU A 21 -3.287 -9.287 2.675 1.00 0.39 C ATOM 108 C GLU A 21 -3.031 -7.893 2.118 1.00 0.32 C ATOM 109 O GLU A 21 -3.013 -7.689 0.903 1.00 0.34 O ATOM 110 CB GLU A 21 -4.730 -9.385 3.170 1.00 0.50 C ATOM 111 CG GLU A 21 -5.139 -10.787 3.584 1.00 0.61 C ATOM 112 CD GLU A 21 -6.577 -10.864 4.050 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.859 -10.432 5.190 1.00 1.54 O ATOM 114 OE2 GLU A 21 -7.433 -11.361 3.290 1.00 1.49 O ATOM 0 H GLU A 21 -2.789 -9.671 4.675 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.131 -10.017 1.881 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.860 -8.713 4.018 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.399 -9.038 2.383 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.998 -11.465 2.743 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.483 -11.131 4.384 1.00 0.61 H new ATOM 121 N ILE A 22 -2.831 -6.938 3.015 1.00 0.30 N ATOM 122 CA ILE A 22 -2.583 -5.560 2.619 1.00 0.28 C ATOM 123 C ILE A 22 -1.265 -5.451 1.865 1.00 0.24 C ATOM 124 O ILE A 22 -1.212 -4.890 0.771 1.00 0.26 O ATOM 125 CB ILE A 22 -2.547 -4.624 3.841 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.828 -4.777 4.656 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.373 -3.178 3.396 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.781 -4.069 5.988 1.00 0.44 C ATOM 0 H ILE A 22 -2.836 -7.093 4.023 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.403 -5.255 1.968 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.698 -4.898 4.467 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.666 -4.390 4.077 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.019 -5.837 4.823 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.349 -2.528 4.271 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.439 -3.077 2.844 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.206 -2.892 2.754 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.724 -4.220 6.514 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.964 -4.472 6.586 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.621 -3.003 5.828 1.00 0.44 H new ATOM 135 N ALA A 23 -0.210 -6.013 2.449 1.00 0.20 N ATOM 136 CA ALA A 23 1.111 -5.998 1.833 1.00 0.19 C ATOM 137 C ALA A 23 1.073 -6.639 0.453 1.00 0.20 C ATOM 138 O ALA A 23 1.736 -6.176 -0.477 1.00 0.20 O ATOM 139 CB ALA A 23 2.112 -6.719 2.718 1.00 0.20 C ATOM 0 H ALA A 23 -0.246 -6.486 3.352 1.00 0.20 H new ATOM 0 HA ALA A 23 1.423 -4.960 1.720 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.094 -6.700 2.246 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.165 -6.222 3.687 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.796 -7.753 2.857 1.00 0.20 H new ATOM 145 N ALA A 24 0.279 -7.696 0.332 1.00 0.22 N ATOM 146 CA ALA A 24 0.112 -8.401 -0.929 1.00 0.25 C ATOM 147 C ALA A 24 -0.408 -7.467 -2.018 1.00 0.24 C ATOM 148 O ALA A 24 0.076 -7.487 -3.149 1.00 0.25 O ATOM 149 CB ALA A 24 -0.835 -9.572 -0.742 1.00 0.31 C ATOM 0 H ALA A 24 -0.264 -8.086 1.102 1.00 0.22 H new ATOM 0 HA ALA A 24 1.086 -8.774 -1.246 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.957 -10.097 -1.690 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.426 -10.256 0.001 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.804 -9.206 -0.403 1.00 0.31 H new ATOM 155 N LEU A 25 -1.385 -6.644 -1.670 1.00 0.23 N ATOM 156 CA LEU A 25 -1.956 -5.698 -2.620 1.00 0.23 C ATOM 157 C LEU A 25 -1.010 -4.528 -2.855 1.00 0.22 C ATOM 158 O LEU A 25 -0.947 -3.983 -3.957 1.00 0.25 O ATOM 159 CB LEU A 25 -3.303 -5.181 -2.119 1.00 0.26 C ATOM 160 CG LEU A 25 -4.396 -6.239 -1.981 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.671 -5.607 -1.453 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.651 -6.926 -3.316 1.00 0.44 C ATOM 0 H LEU A 25 -1.799 -6.611 -0.739 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.106 -6.221 -3.564 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.154 -4.707 -1.149 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.653 -4.407 -2.801 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.061 -6.994 -1.270 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.443 -6.370 -1.359 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.479 -5.162 -0.477 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -6.007 -4.834 -2.144 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.433 -7.676 -3.196 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.968 -6.186 -4.051 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.735 -7.408 -3.658 1.00 0.44 H new ATOM 174 N ILE A 26 -0.277 -4.151 -1.817 1.00 0.21 N ATOM 175 CA ILE A 26 0.675 -3.054 -1.908 1.00 0.22 C ATOM 176 C ILE A 26 1.796 -3.382 -2.894 1.00 0.20 C ATOM 177 O ILE A 26 2.082 -2.595 -3.801 1.00 0.23 O ATOM 178 CB ILE A 26 1.272 -2.708 -0.525 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.178 -2.165 0.400 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.396 -1.695 -0.668 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.655 -1.867 1.805 1.00 0.27 C ATOM 0 H ILE A 26 -0.324 -4.591 -0.898 1.00 0.21 H new ATOM 0 HA ILE A 26 0.131 -2.183 -2.273 1.00 0.22 H new ATOM 0 HB ILE A 26 1.683 -3.617 -0.086 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.232 -1.254 -0.035 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.635 -2.889 0.449 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.804 -1.463 0.316 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.182 -2.110 -1.299 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.009 -0.784 -1.124 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.176 -1.487 2.399 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.038 -2.780 2.260 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.447 -1.119 1.769 1.00 0.27 H new ATOM 188 N VAL A 27 2.417 -4.548 -2.734 1.00 0.18 N ATOM 189 CA VAL A 27 3.481 -4.961 -3.643 1.00 0.20 C ATOM 190 C VAL A 27 2.916 -5.227 -5.036 1.00 0.22 C ATOM 191 O VAL A 27 3.596 -5.025 -6.042 1.00 0.24 O ATOM 192 CB VAL A 27 4.249 -6.210 -3.139 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.891 -5.936 -1.790 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.345 -7.432 -3.064 1.00 0.21 C ATOM 0 H VAL A 27 2.205 -5.216 -1.993 1.00 0.18 H new ATOM 0 HA VAL A 27 4.194 -4.138 -3.685 1.00 0.20 H new ATOM 0 HB VAL A 27 5.036 -6.426 -3.862 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.425 -6.825 -1.454 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.591 -5.105 -1.882 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.119 -5.681 -1.065 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.918 -8.287 -2.707 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.522 -7.234 -2.377 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.946 -7.651 -4.054 1.00 0.21 H new ATOM 198 N ASN A 28 1.658 -5.658 -5.083 1.00 0.26 N ATOM 199 CA ASN A 28 0.964 -5.884 -6.347 1.00 0.32 C ATOM 200 C ASN A 28 0.810 -4.558 -7.090 1.00 0.27 C ATOM 201 O ASN A 28 1.028 -4.478 -8.298 1.00 0.29 O ATOM 202 CB ASN A 28 -0.412 -6.519 -6.085 1.00 0.45 C ATOM 203 CG ASN A 28 -1.111 -7.012 -7.344 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.930 -6.473 -8.433 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.932 -8.038 -7.196 1.00 0.86 N ATOM 0 H ASN A 28 1.096 -5.858 -4.255 1.00 0.26 H new ATOM 0 HA ASN A 28 1.547 -6.568 -6.964 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.291 -7.356 -5.397 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.050 -5.788 -5.589 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.439 -8.406 -8.001 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -2.058 -8.462 -6.277 1.00 0.86 H new ATOM 212 N TYR A 29 0.458 -3.515 -6.351 1.00 0.25 N ATOM 213 CA TYR A 29 0.304 -2.187 -6.928 1.00 0.24 C ATOM 214 C TYR A 29 1.628 -1.684 -7.496 1.00 0.19 C ATOM 215 O TYR A 29 1.699 -1.283 -8.657 1.00 0.19 O ATOM 216 CB TYR A 29 -0.232 -1.206 -5.877 1.00 0.29 C ATOM 217 CG TYR A 29 -0.306 0.226 -6.362 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.050 0.561 -7.486 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.376 1.240 -5.702 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.111 1.865 -7.939 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.319 2.547 -6.149 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.426 2.854 -7.268 1.00 0.43 C ATOM 223 OH TYR A 29 -0.482 4.154 -7.721 1.00 0.50 O ATOM 0 H TYR A 29 0.273 -3.563 -5.349 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.415 -2.253 -7.745 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.227 -1.527 -5.567 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.406 -1.249 -4.994 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.590 -0.211 -8.015 1.00 1.23 H new ATOM 0 HD2 TYR A 29 0.960 1.004 -4.825 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -1.693 2.108 -8.816 1.00 1.25 H new ATOM 0 HE2 TYR A 29 0.855 3.324 -5.624 1.00 1.22 H new ATOM 0 HH TYR A 29 -1.218 4.246 -8.361 1.00 0.50 H new ATOM 233 N PHE A 30 2.679 -1.729 -6.684 1.00 0.16 N ATOM 234 CA PHE A 30 3.986 -1.228 -7.099 1.00 0.16 C ATOM 235 C PHE A 30 4.531 -2.001 -8.299 1.00 0.18 C ATOM 236 O PHE A 30 5.084 -1.407 -9.227 1.00 0.21 O ATOM 237 CB PHE A 30 4.987 -1.292 -5.943 1.00 0.19 C ATOM 238 CG PHE A 30 4.692 -0.346 -4.812 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.184 0.921 -5.055 1.00 1.19 C ATOM 240 CD2 PHE A 30 4.932 -0.725 -3.503 1.00 1.18 C ATOM 241 CE1 PHE A 30 3.921 1.788 -4.013 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.674 0.141 -2.458 1.00 1.17 C ATOM 243 CZ PHE A 30 4.168 1.398 -2.714 1.00 0.25 C ATOM 0 H PHE A 30 2.652 -2.106 -5.737 1.00 0.16 H new ATOM 0 HA PHE A 30 3.851 -0.188 -7.396 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.008 -2.310 -5.553 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.984 -1.078 -6.329 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.992 1.233 -6.071 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.326 -1.709 -3.296 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.522 2.771 -4.216 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.868 -0.166 -1.441 1.00 1.17 H new ATOM 0 HZ PHE A 30 3.966 2.076 -1.898 1.00 0.25 H new ATOM 253 N SER A 31 4.368 -3.319 -8.288 1.00 0.21 N ATOM 254 CA SER A 31 4.849 -4.144 -9.392 1.00 0.27 C ATOM 255 C SER A 31 4.044 -3.871 -10.660 1.00 0.25 C ATOM 256 O SER A 31 4.572 -3.947 -11.769 1.00 0.27 O ATOM 257 CB SER A 31 4.795 -5.629 -9.023 1.00 0.35 C ATOM 258 OG SER A 31 3.520 -5.990 -8.522 1.00 1.15 O ATOM 0 H SER A 31 3.912 -3.836 -7.536 1.00 0.21 H new ATOM 0 HA SER A 31 5.889 -3.881 -9.586 1.00 0.27 H new ATOM 0 HB2 SER A 31 5.027 -6.232 -9.901 1.00 0.35 H new ATOM 0 HB3 SER A 31 5.557 -5.848 -8.275 1.00 0.35 H new ATOM 0 HG SER A 31 3.456 -5.738 -7.577 1.00 1.15 H new ATOM 264 N SER A 32 2.770 -3.538 -10.489 1.00 0.27 N ATOM 265 CA SER A 32 1.916 -3.178 -11.610 1.00 0.30 C ATOM 266 C SER A 32 2.397 -1.870 -12.235 1.00 0.28 C ATOM 267 O SER A 32 2.450 -1.736 -13.461 1.00 0.35 O ATOM 268 CB SER A 32 0.463 -3.044 -11.142 1.00 0.40 C ATOM 269 OG SER A 32 -0.416 -2.798 -12.228 1.00 0.99 O ATOM 0 H SER A 32 2.306 -3.510 -9.581 1.00 0.27 H new ATOM 0 HA SER A 32 1.968 -3.964 -12.363 1.00 0.30 H new ATOM 0 HB2 SER A 32 0.160 -3.956 -10.628 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.386 -2.231 -10.420 1.00 0.40 H new ATOM 0 HG SER A 32 -1.257 -2.425 -11.890 1.00 0.99 H new ATOM 275 N ILE A 33 2.774 -0.920 -11.381 1.00 0.24 N ATOM 276 CA ILE A 33 3.273 0.374 -11.832 1.00 0.26 C ATOM 277 C ILE A 33 4.477 0.206 -12.756 1.00 0.26 C ATOM 278 O ILE A 33 4.509 0.761 -13.854 1.00 0.31 O ATOM 279 CB ILE A 33 3.684 1.274 -10.646 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.497 1.550 -9.725 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.264 2.585 -11.149 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.852 2.437 -8.551 1.00 0.34 C ATOM 0 H ILE A 33 2.742 -1.025 -10.367 1.00 0.24 H new ATOM 0 HA ILE A 33 2.455 0.850 -12.374 1.00 0.26 H new ATOM 0 HB ILE A 33 4.446 0.743 -10.075 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.700 2.020 -10.300 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.106 0.603 -9.353 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.548 3.207 -10.300 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.143 2.383 -11.761 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.518 3.107 -11.747 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.967 2.596 -7.934 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.629 1.958 -7.955 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.216 3.397 -8.917 1.00 0.34 H new ATOM 289 N VAL A 34 5.460 -0.567 -12.312 1.00 0.24 N ATOM 290 CA VAL A 34 6.682 -0.756 -13.084 1.00 0.31 C ATOM 291 C VAL A 34 6.438 -1.651 -14.298 1.00 0.37 C ATOM 292 O VAL A 34 7.115 -1.524 -15.315 1.00 0.47 O ATOM 293 CB VAL A 34 7.829 -1.338 -12.225 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.149 -0.412 -11.061 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.488 -2.730 -11.715 1.00 0.33 C ATOM 0 H VAL A 34 5.436 -1.071 -11.426 1.00 0.24 H new ATOM 0 HA VAL A 34 6.986 0.232 -13.429 1.00 0.31 H new ATOM 0 HB VAL A 34 8.711 -1.420 -12.861 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.958 -0.839 -10.468 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.454 0.562 -11.444 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.264 -0.295 -10.435 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.315 -3.110 -11.115 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.587 -2.683 -11.103 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.317 -3.396 -12.561 1.00 0.33 H new ATOM 299 N GLU A 35 5.447 -2.534 -14.192 1.00 0.35 N ATOM 300 CA GLU A 35 5.113 -3.451 -15.275 1.00 0.46 C ATOM 301 C GLU A 35 4.632 -2.686 -16.505 1.00 0.50 C ATOM 302 O GLU A 35 5.035 -2.974 -17.631 1.00 0.61 O ATOM 303 CB GLU A 35 4.032 -4.432 -14.821 1.00 0.50 C ATOM 304 CG GLU A 35 3.697 -5.494 -15.853 1.00 0.70 C ATOM 305 CD GLU A 35 2.518 -6.350 -15.446 1.00 1.49 C ATOM 306 OE1 GLU A 35 2.725 -7.373 -14.759 1.00 2.19 O ATOM 307 OE2 GLU A 35 1.377 -6.003 -15.811 1.00 2.22 O ATOM 0 H GLU A 35 4.861 -2.632 -13.363 1.00 0.35 H new ATOM 0 HA GLU A 35 6.013 -4.005 -15.541 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.360 -4.921 -13.903 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.127 -3.875 -14.579 1.00 0.50 H new ATOM 0 HG2 GLU A 35 3.480 -5.013 -16.807 1.00 0.70 H new ATOM 0 HG3 GLU A 35 4.567 -6.131 -16.009 1.00 0.70 H new ATOM 314 N LYS A 36 3.771 -1.703 -16.279 1.00 0.47 N ATOM 315 CA LYS A 36 3.205 -0.919 -17.371 1.00 0.54 C ATOM 316 C LYS A 36 4.009 0.359 -17.597 1.00 0.50 C ATOM 317 O LYS A 36 3.650 1.199 -18.422 1.00 0.60 O ATOM 318 CB LYS A 36 1.744 -0.580 -17.069 1.00 0.67 C ATOM 319 CG LYS A 36 1.571 0.313 -15.850 1.00 0.71 C ATOM 320 CD LYS A 36 0.119 0.408 -15.410 1.00 0.97 C ATOM 321 CE LYS A 36 -0.387 -0.921 -14.869 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.737 -0.797 -14.262 1.00 2.08 N ATOM 0 H LYS A 36 3.449 -1.429 -15.351 1.00 0.47 H new ATOM 0 HA LYS A 36 3.251 -1.514 -18.283 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.306 -0.087 -17.937 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.189 -1.505 -16.914 1.00 0.67 H new ATOM 0 HG2 LYS A 36 2.173 -0.075 -15.029 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.946 1.311 -16.076 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.020 1.176 -14.643 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.498 0.718 -16.253 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.418 -1.653 -15.676 1.00 1.42 H new ATOM 0 HE3 LYS A 36 0.312 -1.299 -14.123 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.885 -1.571 -13.584 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.813 0.115 -13.768 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -2.459 -0.848 -15.009 1.00 2.08 H new ATOM 336 N LYS A 37 5.107 0.474 -16.848 1.00 0.47 N ATOM 337 CA LYS A 37 5.973 1.650 -16.867 1.00 0.54 C ATOM 338 C LYS A 37 5.165 2.926 -16.627 1.00 0.59 C ATOM 339 O LYS A 37 5.194 3.868 -17.419 1.00 0.75 O ATOM 340 CB LYS A 37 6.765 1.740 -18.176 1.00 0.71 C ATOM 341 CG LYS A 37 7.967 2.670 -18.083 1.00 1.18 C ATOM 342 CD LYS A 37 8.770 2.701 -19.374 1.00 1.41 C ATOM 343 CE LYS A 37 7.989 3.341 -20.509 1.00 1.98 C ATOM 344 NZ LYS A 37 8.802 3.450 -21.747 1.00 2.60 N ATOM 0 H LYS A 37 5.421 -0.254 -16.206 1.00 0.47 H new ATOM 0 HA LYS A 37 6.691 1.545 -16.054 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.105 0.743 -18.457 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.105 2.088 -18.970 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.627 3.678 -17.844 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.611 2.348 -17.264 1.00 1.18 H new ATOM 0 HD2 LYS A 37 9.696 3.253 -19.213 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.049 1.685 -19.653 1.00 1.41 H new ATOM 0 HE2 LYS A 37 7.095 2.752 -20.712 1.00 1.98 H new ATOM 0 HE3 LYS A 37 7.655 4.333 -20.206 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 8.234 3.892 -22.498 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 9.642 4.034 -21.560 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.100 2.501 -22.051 1.00 2.60 H new ATOM 358 N GLU A 38 4.452 2.941 -15.513 1.00 0.54 N ATOM 359 CA GLU A 38 3.656 4.093 -15.109 1.00 0.68 C ATOM 360 C GLU A 38 4.537 5.019 -14.286 1.00 0.69 C ATOM 361 O GLU A 38 4.180 6.149 -13.965 1.00 1.03 O ATOM 362 CB GLU A 38 2.433 3.612 -14.307 1.00 0.79 C ATOM 363 CG GLU A 38 1.641 4.709 -13.603 1.00 1.36 C ATOM 364 CD GLU A 38 1.080 5.749 -14.548 1.00 1.41 C ATOM 365 OE1 GLU A 38 0.199 5.409 -15.357 1.00 1.86 O ATOM 366 OE2 GLU A 38 1.513 6.919 -14.478 1.00 2.12 O ATOM 0 H GLU A 38 4.407 2.157 -14.862 1.00 0.54 H new ATOM 0 HA GLU A 38 3.289 4.639 -15.978 1.00 0.68 H new ATOM 0 HB2 GLU A 38 1.763 3.080 -14.982 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.769 2.893 -13.560 1.00 0.79 H new ATOM 0 HG2 GLU A 38 0.821 4.254 -13.047 1.00 1.36 H new ATOM 0 HG3 GLU A 38 2.285 5.201 -12.875 1.00 1.36 H new ATOM 373 N ILE A 39 5.714 4.523 -13.971 1.00 0.42 N ATOM 374 CA ILE A 39 6.655 5.258 -13.156 1.00 0.43 C ATOM 375 C ILE A 39 7.979 5.432 -13.892 1.00 0.48 C ATOM 376 O ILE A 39 8.315 4.639 -14.777 1.00 0.51 O ATOM 377 CB ILE A 39 6.880 4.531 -11.814 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.551 5.451 -10.799 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.704 3.264 -12.014 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.569 4.878 -9.403 1.00 0.47 C ATOM 0 H ILE A 39 6.043 3.605 -14.270 1.00 0.42 H new ATOM 0 HA ILE A 39 6.240 6.246 -12.954 1.00 0.43 H new ATOM 0 HB ILE A 39 5.904 4.246 -11.421 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.574 5.649 -11.118 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.031 6.409 -10.786 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.849 2.769 -11.054 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.179 2.592 -12.693 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.674 3.524 -12.439 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.059 5.579 -8.728 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.546 4.706 -9.067 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.114 3.934 -9.404 1.00 0.47 H new ATOM 387 N SER A 40 8.702 6.488 -13.553 1.00 0.54 N ATOM 388 CA SER A 40 10.024 6.719 -14.107 1.00 0.62 C ATOM 389 C SER A 40 10.993 5.657 -13.597 1.00 0.53 C ATOM 390 O SER A 40 10.918 5.232 -12.444 1.00 0.48 O ATOM 391 CB SER A 40 10.506 8.117 -13.722 1.00 0.76 C ATOM 392 OG SER A 40 9.595 9.108 -14.173 1.00 1.82 O ATOM 0 H SER A 40 8.392 7.201 -12.893 1.00 0.54 H new ATOM 0 HA SER A 40 9.979 6.652 -15.194 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.615 8.183 -12.640 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.490 8.299 -14.154 1.00 0.76 H new ATOM 0 HG SER A 40 9.922 9.995 -13.914 1.00 1.82 H new ATOM 398 N GLU A 41 11.887 5.228 -14.483 1.00 0.59 N ATOM 399 CA GLU A 41 12.789 4.109 -14.232 1.00 0.60 C ATOM 400 C GLU A 41 13.653 4.324 -12.991 1.00 0.49 C ATOM 401 O GLU A 41 14.105 3.358 -12.378 1.00 0.46 O ATOM 402 CB GLU A 41 13.682 3.853 -15.452 1.00 0.78 C ATOM 403 CG GLU A 41 12.915 3.535 -16.733 1.00 1.07 C ATOM 404 CD GLU A 41 12.491 4.771 -17.507 1.00 1.43 C ATOM 405 OE1 GLU A 41 11.542 5.458 -17.078 1.00 2.19 O ATOM 406 OE2 GLU A 41 13.104 5.059 -18.556 1.00 1.99 O ATOM 0 H GLU A 41 12.007 5.651 -15.403 1.00 0.59 H new ATOM 0 HA GLU A 41 12.164 3.235 -14.049 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.305 4.731 -15.623 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.354 3.024 -15.229 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.537 2.910 -17.374 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.029 2.952 -16.482 1.00 1.07 H new ATOM 413 N ASP A 42 13.881 5.581 -12.619 1.00 0.52 N ATOM 414 CA ASP A 42 14.641 5.885 -11.409 1.00 0.52 C ATOM 415 C ASP A 42 13.825 5.528 -10.171 1.00 0.43 C ATOM 416 O ASP A 42 14.355 5.002 -9.192 1.00 0.47 O ATOM 417 CB ASP A 42 15.059 7.363 -11.372 1.00 0.62 C ATOM 418 CG ASP A 42 13.886 8.312 -11.225 1.00 1.50 C ATOM 419 OD1 ASP A 42 13.204 8.580 -12.235 1.00 2.30 O ATOM 420 OD2 ASP A 42 13.637 8.795 -10.101 1.00 2.21 O ATOM 0 H ASP A 42 13.554 6.399 -13.133 1.00 0.52 H new ATOM 0 HA ASP A 42 15.549 5.282 -11.418 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.749 7.518 -10.543 1.00 0.62 H new ATOM 0 HB3 ASP A 42 15.600 7.604 -12.287 1.00 0.62 H new ATOM 425 N GLY A 43 12.525 5.792 -10.236 1.00 0.39 N ATOM 426 CA GLY A 43 11.637 5.443 -9.146 1.00 0.37 C ATOM 427 C GLY A 43 11.304 3.969 -9.155 1.00 0.34 C ATOM 428 O GLY A 43 11.022 3.379 -8.112 1.00 0.35 O ATOM 0 H GLY A 43 12.070 6.244 -11.029 1.00 0.39 H new ATOM 0 HA2 GLY A 43 12.103 5.706 -8.197 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.719 6.025 -9.222 1.00 0.37 H new ATOM 432 N ALA A 44 11.342 3.374 -10.342 1.00 0.33 N ATOM 433 CA ALA A 44 11.120 1.943 -10.493 1.00 0.33 C ATOM 434 C ALA A 44 12.171 1.158 -9.722 1.00 0.32 C ATOM 435 O ALA A 44 11.857 0.191 -9.028 1.00 0.31 O ATOM 436 CB ALA A 44 11.139 1.556 -11.963 1.00 0.38 C ATOM 0 H ALA A 44 11.526 3.865 -11.217 1.00 0.33 H new ATOM 0 HA ALA A 44 10.139 1.700 -10.084 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.972 0.483 -12.059 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.352 2.095 -12.491 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.107 1.812 -12.394 1.00 0.38 H new ATOM 442 N ASP A 45 13.421 1.598 -9.833 1.00 0.36 N ATOM 443 CA ASP A 45 14.526 0.983 -9.107 1.00 0.38 C ATOM 444 C ASP A 45 14.301 1.087 -7.603 1.00 0.36 C ATOM 445 O ASP A 45 14.562 0.143 -6.855 1.00 0.37 O ATOM 446 CB ASP A 45 15.848 1.651 -9.485 1.00 0.48 C ATOM 447 CG ASP A 45 17.020 1.102 -8.696 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.496 -0.005 -9.020 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.468 1.777 -7.748 1.00 1.81 O ATOM 0 H ASP A 45 13.694 2.384 -10.423 1.00 0.36 H new ATOM 0 HA ASP A 45 14.572 -0.071 -9.382 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.032 1.509 -10.550 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.771 2.725 -9.315 1.00 0.48 H new ATOM 454 N SER A 46 13.801 2.237 -7.170 1.00 0.38 N ATOM 455 CA SER A 46 13.485 2.457 -5.766 1.00 0.41 C ATOM 456 C SER A 46 12.406 1.478 -5.300 1.00 0.36 C ATOM 457 O SER A 46 12.464 0.956 -4.187 1.00 0.39 O ATOM 458 CB SER A 46 13.024 3.900 -5.566 1.00 0.51 C ATOM 459 OG SER A 46 13.932 4.800 -6.182 1.00 0.98 O ATOM 0 H SER A 46 13.605 3.035 -7.775 1.00 0.38 H new ATOM 0 HA SER A 46 14.379 2.284 -5.167 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.028 4.032 -5.989 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.950 4.120 -4.501 1.00 0.51 H new ATOM 0 HG SER A 46 14.191 5.494 -5.540 1.00 0.98 H new ATOM 465 N LEU A 47 11.436 1.209 -6.166 1.00 0.32 N ATOM 466 CA LEU A 47 10.374 0.261 -5.851 1.00 0.30 C ATOM 467 C LEU A 47 10.903 -1.168 -5.830 1.00 0.27 C ATOM 468 O LEU A 47 10.327 -2.036 -5.183 1.00 0.29 O ATOM 469 CB LEU A 47 9.223 0.374 -6.851 1.00 0.30 C ATOM 470 CG LEU A 47 8.392 1.655 -6.756 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.283 1.645 -7.796 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.811 1.810 -5.359 1.00 0.41 C ATOM 0 H LEU A 47 11.363 1.633 -7.091 1.00 0.32 H new ATOM 0 HA LEU A 47 10.000 0.509 -4.858 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.632 0.301 -7.859 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.560 -0.480 -6.713 1.00 0.30 H new ATOM 0 HG LEU A 47 9.044 2.506 -6.954 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.701 2.563 -7.716 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.719 1.578 -8.793 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.633 0.787 -7.626 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.223 2.726 -5.309 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.172 0.956 -5.134 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.621 1.859 -4.631 1.00 0.41 H new ATOM 484 N ASN A 48 12.001 -1.409 -6.536 1.00 0.26 N ATOM 485 CA ASN A 48 12.602 -2.738 -6.578 1.00 0.26 C ATOM 486 C ASN A 48 13.186 -3.108 -5.223 1.00 0.28 C ATOM 487 O ASN A 48 12.871 -4.162 -4.672 1.00 0.32 O ATOM 488 CB ASN A 48 13.695 -2.814 -7.649 1.00 0.28 C ATOM 489 CG ASN A 48 13.157 -2.746 -9.067 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.820 -2.223 -9.963 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.968 -3.285 -9.291 1.00 0.40 N ATOM 0 H ASN A 48 12.493 -0.705 -7.086 1.00 0.26 H new ATOM 0 HA ASN A 48 11.815 -3.448 -6.831 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.400 -1.997 -7.496 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.252 -3.743 -7.524 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.573 -3.276 -10.231 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.448 -3.710 -8.523 1.00 0.40 H new ATOM 498 N VAL A 49 14.030 -2.235 -4.680 1.00 0.27 N ATOM 499 CA VAL A 49 14.624 -2.481 -3.369 1.00 0.29 C ATOM 500 C VAL A 49 13.546 -2.451 -2.286 1.00 0.30 C ATOM 501 O VAL A 49 13.583 -3.231 -1.333 1.00 0.32 O ATOM 502 CB VAL A 49 15.758 -1.475 -3.036 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.254 -0.040 -3.043 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.402 -1.806 -1.696 1.00 0.36 C ATOM 0 H VAL A 49 14.316 -1.361 -5.121 1.00 0.27 H new ATOM 0 HA VAL A 49 15.076 -3.472 -3.399 1.00 0.29 H new ATOM 0 HB VAL A 49 16.513 -1.567 -3.817 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.076 0.635 -2.806 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.859 0.202 -4.030 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.466 0.072 -2.299 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.194 -1.087 -1.485 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.649 -1.758 -0.909 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.825 -2.810 -1.734 1.00 0.36 H new ATOM 508 N ALA A 50 12.565 -1.570 -2.458 1.00 0.30 N ATOM 509 CA ALA A 50 11.445 -1.483 -1.532 1.00 0.34 C ATOM 510 C ALA A 50 10.618 -2.760 -1.569 1.00 0.34 C ATOM 511 O ALA A 50 10.108 -3.204 -0.545 1.00 0.37 O ATOM 512 CB ALA A 50 10.573 -0.281 -1.859 1.00 0.37 C ATOM 0 H ALA A 50 12.525 -0.906 -3.232 1.00 0.30 H new ATOM 0 HA ALA A 50 11.845 -1.358 -0.526 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.741 -0.233 -1.156 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.166 0.630 -1.782 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.186 -0.378 -2.873 1.00 0.37 H new ATOM 518 N MET A 51 10.513 -3.352 -2.755 1.00 0.34 N ATOM 519 CA MET A 51 9.729 -4.567 -2.965 1.00 0.39 C ATOM 520 C MET A 51 10.159 -5.667 -2.006 1.00 0.31 C ATOM 521 O MET A 51 9.328 -6.278 -1.329 1.00 0.30 O ATOM 522 CB MET A 51 9.902 -5.051 -4.406 1.00 0.52 C ATOM 523 CG MET A 51 8.884 -6.092 -4.839 1.00 0.62 C ATOM 524 SD MET A 51 7.193 -5.466 -4.791 1.00 0.65 S ATOM 525 CE MET A 51 7.416 -3.849 -5.532 1.00 0.41 C ATOM 0 H MET A 51 10.969 -3.004 -3.598 1.00 0.34 H new ATOM 0 HA MET A 51 8.681 -4.333 -2.776 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.836 -4.194 -5.076 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.903 -5.468 -4.520 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.117 -6.424 -5.851 1.00 0.62 H new ATOM 0 HG3 MET A 51 8.963 -6.965 -4.191 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.538 -3.597 -6.127 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.548 -3.104 -4.747 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.297 -3.861 -6.173 1.00 0.41 H new ATOM 535 N ASP A 52 11.461 -5.908 -1.946 1.00 0.31 N ATOM 536 CA ASP A 52 12.001 -6.934 -1.066 1.00 0.32 C ATOM 537 C ASP A 52 11.827 -6.532 0.387 1.00 0.28 C ATOM 538 O ASP A 52 11.550 -7.368 1.239 1.00 0.30 O ATOM 539 CB ASP A 52 13.481 -7.195 -1.357 1.00 0.42 C ATOM 540 CG ASP A 52 13.706 -7.773 -2.735 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.104 -8.818 -3.058 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.490 -7.186 -3.507 1.00 1.84 O ATOM 0 H ASP A 52 12.161 -5.409 -2.495 1.00 0.31 H new ATOM 0 HA ASP A 52 11.447 -7.854 -1.253 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.037 -6.262 -1.263 1.00 0.42 H new ATOM 0 HB3 ASP A 52 13.880 -7.881 -0.609 1.00 0.42 H new ATOM 547 N CYS A 53 11.969 -5.242 0.658 1.00 0.27 N ATOM 548 CA CYS A 53 11.820 -4.722 2.012 1.00 0.27 C ATOM 549 C CYS A 53 10.397 -4.934 2.528 1.00 0.29 C ATOM 550 O CYS A 53 10.201 -5.384 3.654 1.00 0.36 O ATOM 551 CB CYS A 53 12.179 -3.238 2.050 1.00 0.36 C ATOM 552 SG CYS A 53 13.876 -2.877 1.545 1.00 1.05 S ATOM 0 H CYS A 53 12.188 -4.534 -0.043 1.00 0.27 H new ATOM 0 HA CYS A 53 12.502 -5.269 2.663 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.494 -2.693 1.401 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.025 -2.864 3.062 1.00 0.36 H new ATOM 0 HG CYS A 53 14.061 -3.282 0.324 1.00 1.05 H new ATOM 558 N ILE A 54 9.411 -4.615 1.692 1.00 0.26 N ATOM 559 CA ILE A 54 8.006 -4.804 2.047 1.00 0.29 C ATOM 560 C ILE A 54 7.729 -6.278 2.318 1.00 0.30 C ATOM 561 O ILE A 54 7.167 -6.641 3.351 1.00 0.33 O ATOM 562 CB ILE A 54 7.063 -4.322 0.919 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.340 -2.857 0.568 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.607 -4.496 1.337 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.674 -2.404 -0.716 1.00 0.34 C ATOM 0 H ILE A 54 9.560 -4.224 0.762 1.00 0.26 H new ATOM 0 HA ILE A 54 7.814 -4.211 2.941 1.00 0.29 H new ATOM 0 HB ILE A 54 7.251 -4.929 0.034 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.998 -2.225 1.387 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.417 -2.710 0.480 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.954 -4.153 0.534 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.410 -5.549 1.540 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.414 -3.911 2.236 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.914 -1.357 -0.901 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.034 -3.011 -1.547 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.594 -2.518 -0.625 1.00 0.34 H new ATOM 572 N SER A 55 8.152 -7.118 1.386 1.00 0.30 N ATOM 573 CA SER A 55 7.946 -8.552 1.487 1.00 0.36 C ATOM 574 C SER A 55 8.632 -9.117 2.735 1.00 0.38 C ATOM 575 O SER A 55 8.024 -9.858 3.514 1.00 0.41 O ATOM 576 CB SER A 55 8.481 -9.228 0.223 1.00 0.40 C ATOM 577 OG SER A 55 7.900 -8.656 -0.941 1.00 0.80 O ATOM 0 H SER A 55 8.645 -6.825 0.543 1.00 0.30 H new ATOM 0 HA SER A 55 6.879 -8.753 1.579 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.565 -9.125 0.182 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.263 -10.295 0.256 1.00 0.40 H new ATOM 0 HG SER A 55 8.358 -7.817 -1.157 1.00 0.80 H new ATOM 583 N GLU A 56 9.892 -8.741 2.927 1.00 0.39 N ATOM 584 CA GLU A 56 10.680 -9.192 4.068 1.00 0.48 C ATOM 585 C GLU A 56 10.039 -8.763 5.383 1.00 0.43 C ATOM 586 O GLU A 56 10.045 -9.509 6.363 1.00 0.46 O ATOM 587 CB GLU A 56 12.095 -8.622 3.968 1.00 0.60 C ATOM 588 CG GLU A 56 13.003 -8.997 5.124 1.00 0.83 C ATOM 589 CD GLU A 56 14.382 -8.396 4.974 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.565 -7.216 5.337 1.00 2.38 O ATOM 591 OE2 GLU A 56 15.284 -9.097 4.476 1.00 2.66 O ATOM 0 H GLU A 56 10.395 -8.116 2.297 1.00 0.39 H new ATOM 0 HA GLU A 56 10.720 -10.281 4.051 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.548 -8.967 3.039 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.033 -7.535 3.908 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.559 -8.658 6.060 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.084 -10.082 5.185 1.00 0.83 H new ATOM 598 N ALA A 57 9.474 -7.564 5.384 1.00 0.39 N ATOM 599 CA ALA A 57 8.856 -6.993 6.573 1.00 0.39 C ATOM 600 C ALA A 57 7.679 -7.837 7.059 1.00 0.33 C ATOM 601 O ALA A 57 7.435 -7.948 8.261 1.00 0.39 O ATOM 602 CB ALA A 57 8.405 -5.571 6.283 1.00 0.42 C ATOM 0 H ALA A 57 9.431 -6.961 4.563 1.00 0.39 H new ATOM 0 HA ALA A 57 9.600 -6.983 7.370 1.00 0.39 H new ATOM 0 HB1 ALA A 57 7.943 -5.147 7.175 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.267 -4.967 5.998 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.681 -5.578 5.468 1.00 0.42 H new ATOM 608 N PHE A 58 6.953 -8.438 6.129 1.00 0.29 N ATOM 609 CA PHE A 58 5.779 -9.227 6.481 1.00 0.28 C ATOM 610 C PHE A 58 6.083 -10.721 6.472 1.00 0.30 C ATOM 611 O PHE A 58 5.220 -11.542 6.783 1.00 0.38 O ATOM 612 CB PHE A 58 4.625 -8.912 5.533 1.00 0.26 C ATOM 613 CG PHE A 58 4.069 -7.528 5.708 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.717 -6.431 5.166 1.00 1.24 C ATOM 615 CD2 PHE A 58 2.898 -7.324 6.418 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.209 -5.159 5.328 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.385 -6.052 6.584 1.00 1.22 C ATOM 618 CZ PHE A 58 3.041 -4.969 6.037 1.00 0.28 C ATOM 0 H PHE A 58 7.153 -8.396 5.130 1.00 0.29 H new ATOM 0 HA PHE A 58 5.488 -8.956 7.496 1.00 0.28 H new ATOM 0 HB2 PHE A 58 4.967 -9.031 4.505 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.827 -9.638 5.690 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.632 -6.573 4.609 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.380 -8.169 6.847 1.00 1.18 H new ATOM 0 HE1 PHE A 58 4.725 -4.312 4.900 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.472 -5.906 7.141 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.641 -3.974 6.164 1.00 0.28 H new ATOM 628 N GLY A 59 7.312 -11.066 6.112 1.00 0.34 N ATOM 629 CA GLY A 59 7.744 -12.447 6.175 1.00 0.39 C ATOM 630 C GLY A 59 7.331 -13.264 4.967 1.00 0.38 C ATOM 631 O GLY A 59 6.899 -14.410 5.107 1.00 0.43 O ATOM 0 H GLY A 59 8.019 -10.412 5.777 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.829 -12.476 6.270 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.333 -12.908 7.073 1.00 0.39 H new ATOM 635 N PHE A 60 7.449 -12.683 3.781 1.00 0.35 N ATOM 636 CA PHE A 60 7.198 -13.422 2.551 1.00 0.39 C ATOM 637 C PHE A 60 8.136 -12.942 1.451 1.00 0.40 C ATOM 638 O PHE A 60 8.736 -11.879 1.564 1.00 0.42 O ATOM 639 CB PHE A 60 5.726 -13.300 2.116 1.00 0.40 C ATOM 640 CG PHE A 60 5.296 -11.933 1.642 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.413 -11.578 0.307 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.746 -11.016 2.524 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.996 -10.340 -0.139 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.328 -9.773 2.083 1.00 1.22 C ATOM 645 CZ PHE A 60 4.453 -9.436 0.750 1.00 0.33 C ATOM 0 H PHE A 60 7.715 -11.708 3.644 1.00 0.35 H new ATOM 0 HA PHE A 60 7.395 -14.478 2.739 1.00 0.39 H new ATOM 0 HB2 PHE A 60 5.542 -14.017 1.316 1.00 0.40 H new ATOM 0 HB3 PHE A 60 5.093 -13.590 2.955 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.837 -12.281 -0.395 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.643 -11.275 3.567 1.00 1.19 H new ATOM 0 HE1 PHE A 60 5.095 -10.080 -1.182 1.00 1.20 H new ATOM 0 HE2 PHE A 60 3.904 -9.067 2.781 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.126 -8.466 0.404 1.00 0.33 H new ATOM 655 N GLU A 61 8.294 -13.748 0.415 1.00 0.48 N ATOM 656 CA GLU A 61 9.130 -13.381 -0.720 1.00 0.55 C ATOM 657 C GLU A 61 8.259 -12.903 -1.877 1.00 0.50 C ATOM 658 O GLU A 61 7.041 -13.070 -1.835 1.00 0.48 O ATOM 659 CB GLU A 61 9.984 -14.573 -1.155 1.00 0.70 C ATOM 660 CG GLU A 61 10.935 -15.074 -0.078 1.00 0.81 C ATOM 661 CD GLU A 61 11.964 -14.037 0.321 1.00 1.48 C ATOM 662 OE1 GLU A 61 12.970 -13.887 -0.403 1.00 2.05 O ATOM 663 OE2 GLU A 61 11.776 -13.367 1.357 1.00 2.33 O ATOM 0 H GLU A 61 7.853 -14.664 0.335 1.00 0.48 H new ATOM 0 HA GLU A 61 9.793 -12.569 -0.422 1.00 0.55 H new ATOM 0 HB2 GLU A 61 9.326 -15.389 -1.454 1.00 0.70 H new ATOM 0 HB3 GLU A 61 10.563 -14.291 -2.035 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.360 -15.367 0.801 1.00 0.81 H new ATOM 0 HG3 GLU A 61 11.446 -15.967 -0.437 1.00 0.81 H new ATOM 670 N ARG A 62 8.870 -12.324 -2.909 1.00 0.54 N ATOM 671 CA ARG A 62 8.113 -11.774 -4.040 1.00 0.53 C ATOM 672 C ARG A 62 7.155 -12.805 -4.628 1.00 0.53 C ATOM 673 O ARG A 62 5.983 -12.517 -4.845 1.00 0.64 O ATOM 674 CB ARG A 62 9.045 -11.275 -5.147 1.00 0.63 C ATOM 675 CG ARG A 62 10.028 -10.202 -4.714 1.00 1.40 C ATOM 676 CD ARG A 62 10.812 -9.676 -5.904 1.00 1.46 C ATOM 677 NE ARG A 62 11.867 -8.741 -5.516 1.00 2.25 N ATOM 678 CZ ARG A 62 12.437 -7.876 -6.356 1.00 2.60 C ATOM 679 NH1 ARG A 62 12.027 -7.800 -7.617 1.00 2.13 N ATOM 680 NH2 ARG A 62 13.420 -7.089 -5.938 1.00 3.67 N ATOM 0 H ARG A 62 9.882 -12.222 -2.989 1.00 0.54 H new ATOM 0 HA ARG A 62 7.538 -10.935 -3.648 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.605 -12.123 -5.542 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.439 -10.885 -5.965 1.00 0.63 H new ATOM 0 HG2 ARG A 62 9.491 -9.383 -4.236 1.00 1.40 H new ATOM 0 HG3 ARG A 62 10.715 -10.610 -3.972 1.00 1.40 H new ATOM 0 HD2 ARG A 62 11.255 -10.515 -6.441 1.00 1.46 H new ATOM 0 HD3 ARG A 62 10.129 -9.181 -6.594 1.00 1.46 H new ATOM 0 HE ARG A 62 12.185 -8.751 -4.547 1.00 2.25 H new ATOM 0 HH11 ARG A 62 11.274 -8.404 -7.946 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.465 -7.137 -8.257 1.00 2.13 H new ATOM 0 HH21 ARG A 62 13.742 -7.144 -4.972 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.854 -6.429 -6.583 1.00 3.67 H new ATOM 694 N GLU A 63 7.648 -14.013 -4.861 1.00 0.58 N ATOM 695 CA GLU A 63 6.839 -15.063 -5.474 1.00 0.64 C ATOM 696 C GLU A 63 5.764 -15.580 -4.518 1.00 0.63 C ATOM 697 O GLU A 63 4.826 -16.260 -4.936 1.00 0.75 O ATOM 698 CB GLU A 63 7.730 -16.216 -5.931 1.00 0.74 C ATOM 699 CG GLU A 63 8.700 -15.831 -7.036 1.00 1.70 C ATOM 700 CD GLU A 63 9.609 -16.971 -7.434 1.00 2.53 C ATOM 701 OE1 GLU A 63 9.206 -17.796 -8.280 1.00 3.12 O ATOM 702 OE2 GLU A 63 10.738 -17.045 -6.910 1.00 3.20 O ATOM 0 H GLU A 63 8.603 -14.293 -4.636 1.00 0.58 H new ATOM 0 HA GLU A 63 6.336 -14.629 -6.338 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.295 -16.589 -5.077 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.101 -17.035 -6.280 1.00 0.74 H new ATOM 0 HG2 GLU A 63 8.138 -15.498 -7.908 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.305 -14.987 -6.705 1.00 1.70 H new ATOM 709 N ALA A 64 5.884 -15.235 -3.244 1.00 0.55 N ATOM 710 CA ALA A 64 4.969 -15.737 -2.228 1.00 0.60 C ATOM 711 C ALA A 64 3.661 -14.955 -2.216 1.00 0.54 C ATOM 712 O ALA A 64 2.660 -15.427 -1.675 1.00 0.57 O ATOM 713 CB ALA A 64 5.623 -15.696 -0.858 1.00 0.67 C ATOM 0 H ALA A 64 6.607 -14.609 -2.889 1.00 0.55 H new ATOM 0 HA ALA A 64 4.734 -16.772 -2.477 1.00 0.60 H new ATOM 0 HB1 ALA A 64 4.926 -16.074 -0.111 1.00 0.67 H new ATOM 0 HB2 ALA A 64 6.520 -16.315 -0.864 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.893 -14.669 -0.615 1.00 0.67 H new ATOM 719 N VAL A 65 3.659 -13.768 -2.821 1.00 0.51 N ATOM 720 CA VAL A 65 2.448 -12.951 -2.881 1.00 0.47 C ATOM 721 C VAL A 65 1.357 -13.677 -3.668 1.00 0.53 C ATOM 722 O VAL A 65 0.166 -13.516 -3.399 1.00 0.54 O ATOM 723 CB VAL A 65 2.710 -11.552 -3.500 1.00 0.47 C ATOM 724 CG1 VAL A 65 3.182 -11.652 -4.939 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.469 -10.682 -3.421 1.00 0.50 C ATOM 0 H VAL A 65 4.474 -13.354 -3.273 1.00 0.51 H new ATOM 0 HA VAL A 65 2.115 -12.795 -1.855 1.00 0.47 H new ATOM 0 HB VAL A 65 3.505 -11.089 -2.915 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.354 -10.651 -5.336 1.00 0.51 H new ATOM 0 HG12 VAL A 65 4.110 -12.223 -4.979 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.421 -12.154 -5.537 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.679 -9.707 -3.861 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.655 -11.159 -3.967 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.180 -10.554 -2.378 1.00 0.50 H new ATOM 729 N SER A 66 1.782 -14.507 -4.615 1.00 0.63 N ATOM 730 CA SER A 66 0.865 -15.307 -5.410 1.00 0.75 C ATOM 731 C SER A 66 0.088 -16.271 -4.513 1.00 0.76 C ATOM 732 O SER A 66 -1.110 -16.485 -4.700 1.00 0.84 O ATOM 733 CB SER A 66 1.648 -16.079 -6.467 1.00 0.89 C ATOM 734 OG SER A 66 2.569 -15.228 -7.132 1.00 1.63 O ATOM 0 H SER A 66 2.765 -14.642 -4.850 1.00 0.63 H new ATOM 0 HA SER A 66 0.151 -14.649 -5.905 1.00 0.75 H new ATOM 0 HB2 SER A 66 2.182 -16.906 -5.999 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.959 -16.514 -7.191 1.00 0.89 H new ATOM 0 HG SER A 66 3.063 -15.742 -7.805 1.00 1.63 H new ATOM 740 N GLY A 67 0.781 -16.833 -3.527 1.00 0.73 N ATOM 741 CA GLY A 67 0.140 -17.727 -2.584 1.00 0.75 C ATOM 742 C GLY A 67 -0.755 -16.981 -1.617 1.00 0.70 C ATOM 743 O GLY A 67 -1.847 -17.443 -1.285 1.00 0.76 O ATOM 0 H GLY A 67 1.777 -16.684 -3.366 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -0.449 -18.466 -3.127 1.00 0.75 H new ATOM 0 HA3 GLY A 67 0.901 -18.273 -2.027 1.00 0.75 H new ATOM 747 N ILE A 68 -0.294 -15.817 -1.169 1.00 0.63 N ATOM 748 CA ILE A 68 -1.081 -14.978 -0.272 1.00 0.59 C ATOM 749 C ILE A 68 -2.403 -14.599 -0.929 1.00 0.63 C ATOM 750 O ILE A 68 -3.472 -14.859 -0.382 1.00 0.71 O ATOM 751 CB ILE A 68 -0.327 -13.691 0.131 1.00 0.51 C ATOM 752 CG1 ILE A 68 1.003 -14.040 0.803 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.185 -12.841 1.061 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.820 -12.827 1.192 1.00 0.45 C ATOM 0 H ILE A 68 0.619 -15.434 -1.412 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.265 -15.560 0.631 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.119 -13.115 -0.771 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.805 -14.636 1.694 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.590 -14.662 0.127 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.639 -11.938 1.336 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.109 -12.566 0.553 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.421 -13.410 1.960 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.749 -13.150 1.663 1.00 0.45 H new ATOM 0 HD12 ILE A 68 2.049 -12.242 0.301 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.252 -12.215 1.893 1.00 0.45 H new ATOM 761 N LEU A 69 -2.318 -14.033 -2.131 1.00 0.62 N ATOM 762 CA LEU A 69 -3.504 -13.600 -2.867 1.00 0.67 C ATOM 763 C LEU A 69 -4.313 -14.792 -3.373 1.00 0.85 C ATOM 764 O LEU A 69 -5.370 -14.624 -3.981 1.00 1.14 O ATOM 765 CB LEU A 69 -3.107 -12.696 -4.036 1.00 0.62 C ATOM 766 CG LEU A 69 -2.538 -11.335 -3.635 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.055 -10.572 -4.857 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.579 -10.521 -2.879 1.00 0.45 C ATOM 0 H LEU A 69 -1.438 -13.863 -2.617 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.133 -13.035 -2.179 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -2.368 -13.217 -4.644 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -3.982 -12.536 -4.666 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.686 -11.504 -2.977 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.654 -9.607 -4.548 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.275 -11.145 -5.359 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.889 -10.416 -5.542 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.155 -9.556 -2.602 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.451 -10.366 -3.514 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.877 -11.058 -1.979 1.00 0.45 H new ATOM 780 N GLY A 70 -3.803 -15.991 -3.135 1.00 0.81 N ATOM 781 CA GLY A 70 -4.551 -17.185 -3.448 1.00 0.94 C ATOM 782 C GLY A 70 -5.568 -17.493 -2.370 1.00 0.99 C ATOM 783 O GLY A 70 -6.659 -17.991 -2.654 1.00 1.25 O ATOM 0 H GLY A 70 -2.882 -16.156 -2.730 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -5.058 -17.059 -4.405 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -3.868 -18.027 -3.558 1.00 0.94 H new ATOM 787 N LYS A 71 -5.210 -17.179 -1.132 1.00 0.87 N ATOM 788 CA LYS A 71 -6.099 -17.387 0.002 1.00 0.98 C ATOM 789 C LYS A 71 -6.861 -16.105 0.316 1.00 0.99 C ATOM 790 O LYS A 71 -8.047 -16.144 0.652 1.00 1.26 O ATOM 791 CB LYS A 71 -5.301 -17.842 1.228 1.00 1.11 C ATOM 792 CG LYS A 71 -6.150 -18.081 2.469 1.00 1.69 C ATOM 793 CD LYS A 71 -7.201 -19.156 2.234 1.00 2.11 C ATOM 794 CE LYS A 71 -8.030 -19.413 3.484 1.00 2.60 C ATOM 795 NZ LYS A 71 -7.199 -19.921 4.608 1.00 3.16 N ATOM 0 H LYS A 71 -4.305 -16.777 -0.887 1.00 0.87 H new ATOM 0 HA LYS A 71 -6.816 -18.167 -0.256 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.770 -18.761 0.982 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.546 -17.089 1.457 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.507 -18.376 3.298 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -6.639 -17.151 2.760 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -7.857 -18.852 1.418 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -6.714 -20.080 1.924 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -8.525 -18.490 3.787 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -8.814 -20.136 3.257 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -7.818 -20.289 5.358 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -6.580 -20.683 4.265 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -6.618 -19.147 4.987 1.00 3.16 H new ATOM 809 N SER A 72 -6.172 -14.975 0.214 1.00 0.92 N ATOM 810 CA SER A 72 -6.794 -13.679 0.420 1.00 1.08 C ATOM 811 C SER A 72 -7.898 -13.462 -0.605 1.00 1.04 C ATOM 812 O SER A 72 -7.766 -13.844 -1.768 1.00 1.21 O ATOM 813 CB SER A 72 -5.749 -12.570 0.314 1.00 1.30 C ATOM 814 OG SER A 72 -4.688 -12.789 1.225 1.00 2.02 O ATOM 0 H SER A 72 -5.178 -14.933 -0.011 1.00 0.92 H new ATOM 0 HA SER A 72 -7.231 -13.652 1.418 1.00 1.08 H new ATOM 0 HB2 SER A 72 -5.358 -12.529 -0.703 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.214 -11.605 0.516 1.00 1.30 H new ATOM 0 HG SER A 72 -4.093 -13.483 0.873 1.00 2.02 H new ATOM 820 N GLU A 73 -8.982 -12.846 -0.169 1.00 1.13 N ATOM 821 CA GLU A 73 -10.146 -12.671 -1.021 1.00 1.31 C ATOM 822 C GLU A 73 -10.019 -11.423 -1.884 1.00 1.26 C ATOM 823 O GLU A 73 -10.908 -11.106 -2.675 1.00 1.87 O ATOM 824 CB GLU A 73 -11.405 -12.605 -0.172 1.00 1.67 C ATOM 825 CG GLU A 73 -11.427 -11.431 0.784 1.00 1.87 C ATOM 826 CD GLU A 73 -12.652 -11.435 1.669 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.734 -12.304 2.559 1.00 2.64 O ATOM 828 OE2 GLU A 73 -13.539 -10.582 1.474 1.00 2.46 O ATOM 0 H GLU A 73 -9.081 -12.459 0.769 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.211 -13.530 -1.689 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -12.274 -12.546 -0.828 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.498 -13.529 0.398 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.532 -11.455 1.406 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.395 -10.502 0.215 1.00 1.87 H new ATOM 835 N PHE A 74 -8.903 -10.724 -1.737 1.00 1.04 N ATOM 836 CA PHE A 74 -8.641 -9.522 -2.514 1.00 1.02 C ATOM 837 C PHE A 74 -8.096 -9.892 -3.889 1.00 1.08 C ATOM 838 O PHE A 74 -7.009 -9.469 -4.286 1.00 1.45 O ATOM 839 CB PHE A 74 -7.658 -8.613 -1.773 1.00 0.94 C ATOM 840 CG PHE A 74 -8.186 -8.102 -0.460 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.036 -7.008 -0.423 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.838 -8.716 0.733 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.530 -6.536 0.777 1.00 1.70 C ATOM 844 CE2 PHE A 74 -8.328 -8.247 1.937 1.00 1.25 C ATOM 845 CZ PHE A 74 -9.176 -7.157 1.959 1.00 1.19 C ATOM 0 H PHE A 74 -8.161 -10.971 -1.083 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.577 -8.980 -2.647 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.733 -9.161 -1.595 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.409 -7.765 -2.410 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.316 -6.519 -1.344 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -7.177 -9.570 0.721 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -10.192 -5.683 0.791 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -8.048 -8.732 2.860 1.00 1.25 H new ATOM 0 HZ PHE A 74 -9.562 -6.791 2.899 1.00 1.19 H new ATOM 901 N HIS A 78 -8.144 -4.655 -8.056 1.00 0.88 N ATOM 902 CA HIS A 78 -6.833 -4.114 -7.753 1.00 0.85 C ATOM 903 C HIS A 78 -6.965 -3.097 -6.624 1.00 0.69 C ATOM 904 O HIS A 78 -8.067 -2.614 -6.357 1.00 0.68 O ATOM 905 CB HIS A 78 -6.218 -3.476 -8.998 1.00 1.02 C ATOM 906 CG HIS A 78 -4.760 -3.777 -9.166 1.00 1.16 C ATOM 907 ND1 HIS A 78 -3.847 -2.863 -9.643 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.062 -4.913 -8.934 1.00 1.41 C ATOM 909 CE1 HIS A 78 -2.655 -3.423 -9.698 1.00 1.96 C ATOM 910 NE2 HIS A 78 -2.758 -4.665 -9.273 1.00 1.85 N ATOM 0 HA HIS A 78 -6.169 -4.917 -7.433 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.757 -3.825 -9.879 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -6.354 -2.396 -8.948 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -4.459 -5.842 -8.553 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -1.747 -2.944 -10.035 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -1.991 -5.334 -9.207 1.00 1.85 H new ATOM 919 N LEU A 79 -5.853 -2.776 -5.970 1.00 0.60 N ATOM 920 CA LEU A 79 -5.875 -1.960 -4.754 1.00 0.46 C ATOM 921 C LEU A 79 -6.641 -0.649 -4.941 1.00 0.44 C ATOM 922 O LEU A 79 -7.520 -0.323 -4.148 1.00 0.42 O ATOM 923 CB LEU A 79 -4.448 -1.665 -4.281 1.00 0.44 C ATOM 924 CG LEU A 79 -4.348 -0.856 -2.983 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.952 -1.628 -1.819 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.902 -0.495 -2.688 1.00 0.41 C ATOM 0 H LEU A 79 -4.920 -3.068 -6.261 1.00 0.60 H new ATOM 0 HA LEU A 79 -6.400 -2.540 -3.995 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.925 -2.611 -4.143 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.925 -1.124 -5.069 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.914 0.066 -3.113 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.870 -1.035 -0.908 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -6.002 -1.834 -2.025 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.417 -2.569 -1.689 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.852 0.079 -1.763 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -2.314 -1.407 -2.582 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -2.502 0.102 -3.507 1.00 0.41 H new ATOM 938 N ALA A 80 -6.330 0.089 -5.997 1.00 0.50 N ATOM 939 CA ALA A 80 -6.920 1.409 -6.188 1.00 0.54 C ATOM 940 C ALA A 80 -8.406 1.331 -6.522 1.00 0.58 C ATOM 941 O ALA A 80 -9.154 2.259 -6.229 1.00 0.61 O ATOM 942 CB ALA A 80 -6.174 2.182 -7.256 1.00 0.63 C ATOM 0 H ALA A 80 -5.680 -0.198 -6.728 1.00 0.50 H new ATOM 0 HA ALA A 80 -6.828 1.941 -5.241 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -6.632 3.163 -7.381 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -5.133 2.303 -6.957 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -6.220 1.637 -8.199 1.00 0.63 H new ATOM 948 N ASP A 81 -8.833 0.228 -7.127 1.00 0.64 N ATOM 949 CA ASP A 81 -10.251 0.028 -7.421 1.00 0.70 C ATOM 950 C ASP A 81 -11.013 -0.153 -6.116 1.00 0.60 C ATOM 951 O ASP A 81 -12.144 0.311 -5.963 1.00 0.67 O ATOM 952 CB ASP A 81 -10.461 -1.189 -8.325 1.00 0.78 C ATOM 953 CG ASP A 81 -11.886 -1.287 -8.840 1.00 1.52 C ATOM 954 OD1 ASP A 81 -12.769 -1.753 -8.094 1.00 2.06 O ATOM 955 OD2 ASP A 81 -12.132 -0.896 -10.000 1.00 2.30 O ATOM 0 H ASP A 81 -8.225 -0.536 -7.422 1.00 0.64 H new ATOM 0 HA ASP A 81 -10.626 0.905 -7.949 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -9.775 -1.133 -9.170 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.214 -2.096 -7.773 1.00 0.78 H new ATOM 960 N ILE A 82 -10.364 -0.823 -5.174 1.00 0.50 N ATOM 961 CA ILE A 82 -10.890 -0.978 -3.828 1.00 0.45 C ATOM 962 C ILE A 82 -11.058 0.388 -3.167 1.00 0.48 C ATOM 963 O ILE A 82 -12.119 0.706 -2.630 1.00 0.61 O ATOM 964 CB ILE A 82 -9.952 -1.860 -2.975 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.989 -3.308 -3.474 1.00 0.51 C ATOM 966 CG2 ILE A 82 -10.318 -1.778 -1.501 1.00 0.46 C ATOM 967 CD1 ILE A 82 -9.001 -4.218 -2.776 1.00 0.61 C ATOM 0 H ILE A 82 -9.461 -1.273 -5.322 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.863 -1.465 -3.895 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.934 -1.486 -3.081 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.995 -3.705 -3.336 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.786 -3.319 -4.545 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.642 -2.408 -0.923 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -10.231 -0.746 -1.161 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -11.343 -2.121 -1.361 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.085 -5.226 -3.182 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.989 -3.846 -2.935 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.217 -4.238 -1.708 1.00 0.61 H new ATOM 974 N LEU A 83 -10.007 1.196 -3.232 1.00 0.44 N ATOM 975 CA LEU A 83 -10.029 2.541 -2.665 1.00 0.52 C ATOM 976 C LEU A 83 -11.040 3.421 -3.395 1.00 0.69 C ATOM 977 O LEU A 83 -11.657 4.299 -2.797 1.00 0.83 O ATOM 978 CB LEU A 83 -8.633 3.174 -2.730 1.00 0.47 C ATOM 979 CG LEU A 83 -7.664 2.796 -1.599 1.00 0.39 C ATOM 980 CD1 LEU A 83 -7.435 1.291 -1.532 1.00 0.32 C ATOM 981 CD2 LEU A 83 -6.339 3.518 -1.784 1.00 0.42 C ATOM 0 H LEU A 83 -9.123 0.942 -3.674 1.00 0.44 H new ATOM 0 HA LEU A 83 -10.331 2.463 -1.620 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -8.175 2.898 -3.680 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -8.748 4.258 -2.735 1.00 0.47 H new ATOM 0 HG LEU A 83 -8.117 3.105 -0.657 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.744 1.064 -0.720 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -8.384 0.786 -1.353 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -7.012 0.945 -2.475 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -5.659 3.243 -0.977 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.900 3.234 -2.741 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -6.506 4.595 -1.767 1.00 0.42 H new ATOM 993 N ASN A 84 -11.213 3.168 -4.687 1.00 0.74 N ATOM 994 CA ASN A 84 -12.170 3.910 -5.507 1.00 0.94 C ATOM 995 C ASN A 84 -13.603 3.605 -5.070 1.00 0.97 C ATOM 996 O ASN A 84 -14.524 4.382 -5.320 1.00 1.15 O ATOM 997 CB ASN A 84 -11.986 3.544 -6.985 1.00 1.04 C ATOM 998 CG ASN A 84 -12.859 4.366 -7.917 1.00 1.27 C ATOM 999 OD1 ASN A 84 -13.122 5.542 -7.672 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -13.321 3.746 -8.990 1.00 1.79 N ATOM 0 H ASN A 84 -10.699 2.448 -5.195 1.00 0.74 H new ATOM 0 HA ASN A 84 -11.986 4.976 -5.375 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -10.940 3.683 -7.260 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -12.214 2.487 -7.122 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -13.918 4.245 -9.650 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -13.080 2.769 -9.158 1.00 1.79 H new ATOM 1007 N SER A 85 -13.781 2.472 -4.406 1.00 0.87 N ATOM 1008 CA SER A 85 -15.095 2.056 -3.940 1.00 0.93 C ATOM 1009 C SER A 85 -15.446 2.747 -2.622 1.00 0.91 C ATOM 1010 O SER A 85 -16.585 2.680 -2.156 1.00 1.01 O ATOM 1011 CB SER A 85 -15.133 0.536 -3.773 1.00 0.98 C ATOM 1012 OG SER A 85 -14.751 -0.119 -4.975 1.00 1.50 O ATOM 0 H SER A 85 -13.029 1.822 -4.177 1.00 0.87 H new ATOM 0 HA SER A 85 -15.836 2.348 -4.684 1.00 0.93 H new ATOM 0 HB2 SER A 85 -14.465 0.239 -2.965 1.00 0.98 H new ATOM 0 HB3 SER A 85 -16.137 0.223 -3.488 1.00 0.98 H new ATOM 0 HG SER A 85 -13.817 0.096 -5.182 1.00 1.50 H new ATOM 1018 N ALA A 86 -14.462 3.409 -2.025 1.00 0.88 N ATOM 1019 CA ALA A 86 -14.670 4.130 -0.778 1.00 0.95 C ATOM 1020 C ALA A 86 -15.313 5.485 -1.049 1.00 1.14 C ATOM 1021 O ALA A 86 -15.522 5.866 -2.203 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.352 4.300 -0.037 1.00 1.09 C ATOM 0 H ALA A 86 -13.510 3.461 -2.387 1.00 0.88 H new ATOM 0 HA ALA A 86 -15.345 3.549 -0.149 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.525 4.841 0.893 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.931 3.320 0.186 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -12.655 4.861 -0.659 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.578 6.899 -6.504 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.281 6.917 -5.837 1.00 0.81 C ATOM 1164 C ALA B 17 -6.138 7.046 -6.832 1.00 0.69 C ATOM 1165 O ALA B 17 -5.800 6.095 -7.543 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.110 5.662 -4.997 1.00 1.09 C ATOM 0 HA ALA B 17 -7.252 7.792 -5.188 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.139 5.684 -4.503 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.898 5.617 -4.246 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.170 4.783 -5.639 1.00 1.09 H new ATOM 1172 N SER B 18 -5.566 8.237 -6.893 1.00 0.64 N ATOM 1173 CA SER B 18 -4.466 8.502 -7.795 1.00 0.61 C ATOM 1174 C SER B 18 -3.160 7.986 -7.206 1.00 0.50 C ATOM 1175 O SER B 18 -3.127 7.538 -6.057 1.00 0.45 O ATOM 1176 CB SER B 18 -4.372 10.001 -8.092 1.00 0.67 C ATOM 1177 OG SER B 18 -4.332 10.760 -6.895 1.00 1.33 O ATOM 0 H SER B 18 -5.849 9.036 -6.325 1.00 0.64 H new ATOM 0 HA SER B 18 -4.648 7.977 -8.733 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.478 10.202 -8.683 1.00 0.67 H new ATOM 0 HB3 SER B 18 -5.227 10.310 -8.693 1.00 0.67 H new ATOM 0 HG SER B 18 -5.244 10.890 -6.560 1.00 1.33 H new ATOM 1183 N LYS B 19 -2.095 8.056 -7.988 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.805 7.504 -7.592 1.00 0.43 C ATOM 1185 C LYS B 19 -0.351 8.055 -6.238 1.00 0.35 C ATOM 1186 O LYS B 19 0.014 7.291 -5.341 1.00 0.28 O ATOM 1187 CB LYS B 19 0.231 7.803 -8.678 1.00 0.54 C ATOM 1188 CG LYS B 19 -0.108 7.156 -10.012 1.00 0.85 C ATOM 1189 CD LYS B 19 0.715 7.727 -11.156 1.00 1.13 C ATOM 1190 CE LYS B 19 2.190 7.385 -11.036 1.00 1.74 C ATOM 1191 NZ LYS B 19 2.966 7.928 -12.180 1.00 2.10 N ATOM 0 H LYS B 19 -2.097 8.493 -8.909 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.908 6.425 -7.480 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.308 8.882 -8.812 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.209 7.452 -8.347 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.062 6.081 -9.946 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -1.168 7.298 -10.223 1.00 0.85 H new ATOM 0 HD2 LYS B 19 0.332 7.344 -12.102 1.00 1.13 H new ATOM 0 HD3 LYS B 19 0.597 8.810 -11.179 1.00 1.13 H new ATOM 0 HE2 LYS B 19 2.584 7.788 -10.103 1.00 1.74 H new ATOM 0 HE3 LYS B 19 2.312 6.303 -10.992 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 3.357 7.142 -12.738 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 2.342 8.503 -12.781 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 3.744 8.519 -11.823 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.414 9.372 -6.080 1.00 0.41 N ATOM 1206 CA GLU B 20 0.052 10.012 -4.852 1.00 0.42 C ATOM 1207 C GLU B 20 -0.850 9.666 -3.665 1.00 0.34 C ATOM 1208 O GLU B 20 -0.373 9.513 -2.543 1.00 0.30 O ATOM 1209 CB GLU B 20 0.133 11.533 -5.038 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.216 12.200 -5.259 1.00 0.64 C ATOM 1211 CD GLU B 20 -1.091 13.651 -5.662 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.877 14.506 -4.779 1.00 1.58 O ATOM 1213 OE2 GLU B 20 -1.218 13.946 -6.870 1.00 1.49 O ATOM 0 H GLU B 20 -0.781 10.016 -6.781 1.00 0.41 H new ATOM 0 HA GLU B 20 1.050 9.631 -4.635 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.605 11.972 -4.159 1.00 0.57 H new ATOM 0 HB3 GLU B 20 0.779 11.751 -5.889 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.762 11.659 -6.032 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.805 12.131 -4.344 1.00 0.64 H new ATOM 1220 N GLU B 21 -2.147 9.521 -3.926 1.00 0.37 N ATOM 1221 CA GLU B 21 -3.119 9.226 -2.876 1.00 0.39 C ATOM 1222 C GLU B 21 -2.899 7.831 -2.310 1.00 0.32 C ATOM 1223 O GLU B 21 -2.922 7.629 -1.095 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.543 9.341 -3.418 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.920 10.747 -3.846 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.342 10.842 -4.360 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.591 10.413 -5.507 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -7.215 11.357 -3.629 1.00 1.49 O ATOM 0 H GLU B 21 -2.550 9.603 -4.859 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.980 9.955 -2.077 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.654 8.669 -4.269 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.242 9.004 -2.653 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.798 11.424 -3.001 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.234 11.081 -4.624 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.677 6.873 -3.199 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.458 5.492 -2.795 1.00 0.29 C ATOM 1237 C ILE B 22 -1.168 5.370 -1.997 1.00 0.24 C ATOM 1238 O ILE B 22 -1.158 4.808 -0.901 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.393 4.554 -4.014 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.644 4.722 -4.871 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.250 3.107 -3.564 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.558 4.012 -6.200 1.00 0.44 C ATOM 0 H ILE B 22 -2.644 7.028 -4.207 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.302 5.196 -2.173 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.520 4.817 -4.611 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.506 4.345 -4.321 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.817 5.784 -5.045 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.206 2.457 -4.438 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.335 2.996 -2.982 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.107 2.831 -2.950 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.480 4.173 -6.759 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.716 4.406 -6.769 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.416 2.944 -6.034 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.088 5.919 -2.547 1.00 0.20 N ATOM 1250 CA ALA B 23 1.213 5.891 -1.887 1.00 0.19 C ATOM 1251 C ALA B 23 1.137 6.534 -0.510 1.00 0.20 C ATOM 1252 O ALA B 23 1.763 6.066 0.440 1.00 0.20 O ATOM 1253 CB ALA B 23 2.250 6.600 -2.739 1.00 0.20 C ATOM 0 H ALA B 23 -0.089 6.390 -3.452 1.00 0.20 H new ATOM 0 HA ALA B 23 1.509 4.849 -1.762 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.216 6.572 -2.235 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.330 6.101 -3.705 1.00 0.20 H new ATOM 0 HB3 ALA B 23 1.950 7.637 -2.890 1.00 0.20 H new ATOM 1259 N ALA B 24 0.349 7.599 -0.416 1.00 0.22 N ATOM 1260 CA ALA B 24 0.149 8.307 0.839 1.00 0.25 C ATOM 1261 C ALA B 24 -0.416 7.381 1.910 1.00 0.23 C ATOM 1262 O ALA B 24 0.033 7.394 3.055 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.777 9.491 0.620 1.00 0.31 C ATOM 0 H ALA B 24 -0.166 7.993 -1.204 1.00 0.22 H new ATOM 0 HA ALA B 24 1.116 8.668 1.188 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.923 10.018 1.563 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.334 10.169 -0.109 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.739 9.137 0.249 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.392 6.569 1.531 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.004 5.630 2.461 1.00 0.23 C ATOM 1271 C LEU B 25 -1.079 4.450 2.730 1.00 0.22 C ATOM 1272 O LEU B 25 -1.059 3.905 3.835 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.339 5.128 1.918 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.415 6.198 1.743 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.679 5.579 1.174 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.705 6.888 3.069 1.00 0.43 C ATOM 0 H LEU B 25 -1.777 6.541 0.587 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.179 6.156 3.399 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.164 4.651 0.954 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.720 4.359 2.590 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.050 6.949 1.043 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.439 6.351 1.053 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.460 5.130 0.205 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -6.046 4.811 1.855 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.474 7.647 2.924 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.054 6.152 3.794 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.795 7.360 3.440 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.316 4.062 1.717 1.00 0.20 N ATOM 1289 CA ILE B 26 0.621 2.955 1.841 1.00 0.21 C ATOM 1290 C ILE B 26 1.712 3.272 2.863 1.00 0.20 C ATOM 1291 O ILE B 26 1.957 2.485 3.781 1.00 0.22 O ATOM 1292 CB ILE B 26 1.258 2.602 0.479 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.190 2.070 -0.482 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.367 1.578 0.658 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.712 1.764 -1.870 1.00 0.27 C ATOM 0 H ILE B 26 -0.328 4.500 0.796 1.00 0.20 H new ATOM 0 HA ILE B 26 0.057 2.090 2.190 1.00 0.21 H new ATOM 0 HB ILE B 26 1.692 3.507 0.054 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.246 1.164 -0.060 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.613 2.803 -0.560 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.804 1.342 -0.312 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.137 1.986 1.313 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.957 0.671 1.102 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.103 1.392 -2.491 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.121 2.672 -2.313 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.494 1.007 -1.806 1.00 0.27 H new ATOM 1302 N VAL B 27 2.351 4.432 2.723 1.00 0.18 N ATOM 1303 CA VAL B 27 3.389 4.835 3.666 1.00 0.20 C ATOM 1304 C VAL B 27 2.780 5.108 5.038 1.00 0.22 C ATOM 1305 O VAL B 27 3.421 4.897 6.067 1.00 0.23 O ATOM 1306 CB VAL B 27 4.186 6.074 3.187 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.870 5.792 1.860 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.299 7.306 3.081 1.00 0.21 C ATOM 0 H VAL B 27 2.171 5.101 1.975 1.00 0.18 H new ATOM 0 HA VAL B 27 4.093 4.005 3.732 1.00 0.20 H new ATOM 0 HB VAL B 27 4.950 6.282 3.936 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.424 6.675 1.541 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.558 4.954 1.976 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.120 5.544 1.109 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.894 8.154 2.742 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.497 7.117 2.367 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.870 7.531 4.058 1.00 0.21 H new ATOM 1312 N ASN B 28 1.527 5.554 5.043 1.00 0.25 N ATOM 1313 CA ASN B 28 0.794 5.789 6.283 1.00 0.32 C ATOM 1314 C ASN B 28 0.600 4.467 7.024 1.00 0.27 C ATOM 1315 O ASN B 28 0.777 4.388 8.238 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.565 6.437 5.976 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.299 6.939 7.211 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -1.157 6.402 8.307 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -2.105 7.973 7.036 1.00 0.86 N ATOM 0 H ASN B 28 0.996 5.761 4.197 1.00 0.25 H new ATOM 0 HA ASN B 28 1.365 6.467 6.916 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.413 7.271 5.291 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.195 5.712 5.460 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.632 8.348 7.825 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.200 8.395 6.112 1.00 0.86 H new ATOM 1326 N TYR B 29 0.262 3.424 6.275 1.00 0.25 N ATOM 1327 CA TYR B 29 0.075 2.099 6.847 1.00 0.24 C ATOM 1328 C TYR B 29 1.373 1.582 7.459 1.00 0.18 C ATOM 1329 O TYR B 29 1.399 1.181 8.621 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.437 1.124 5.780 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.543 -0.307 6.264 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.327 -0.634 7.363 1.00 1.23 C ATOM 1333 CD2 TYR B 29 0.150 -1.330 5.627 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.418 -1.936 7.815 1.00 1.25 C ATOM 1335 CE2 TYR B 29 0.064 -2.635 6.072 1.00 1.22 C ATOM 1336 CZ TYR B 29 -0.720 -2.933 7.167 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.803 -4.231 7.618 1.00 0.49 O ATOM 0 H TYR B 29 0.112 3.472 5.267 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.669 2.173 7.640 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.417 1.456 5.437 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.230 1.159 4.919 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.875 0.144 7.873 1.00 1.23 H new ATOM 0 HD2 TYR B 29 0.766 -1.101 4.770 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.032 -2.172 8.671 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.608 -3.418 5.565 1.00 1.22 H new ATOM 0 HH TYR B 29 -1.561 -4.316 8.233 1.00 0.49 H new ATOM 1347 N PHE B 30 2.450 1.616 6.680 1.00 0.16 N ATOM 1348 CA PHE B 30 3.739 1.102 7.138 1.00 0.16 C ATOM 1349 C PHE B 30 4.251 1.869 8.356 1.00 0.18 C ATOM 1350 O PHE B 30 4.763 1.269 9.303 1.00 0.21 O ATOM 1351 CB PHE B 30 4.777 1.153 6.016 1.00 0.19 C ATOM 1352 CG PHE B 30 4.511 0.208 4.878 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.981 -1.054 5.105 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.798 0.582 3.577 1.00 1.17 C ATOM 1355 CE1 PHE B 30 3.744 -1.919 4.056 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.564 -0.282 2.525 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.036 -1.532 2.765 1.00 0.25 C ATOM 0 H PHE B 30 2.457 1.992 5.732 1.00 0.16 H new ATOM 0 HA PHE B 30 3.585 0.063 7.430 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.821 2.169 5.625 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.758 0.930 6.435 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.751 -1.363 6.114 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.210 1.561 3.382 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.330 -2.898 4.246 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.795 0.022 1.515 1.00 1.16 H new ATOM 0 HZ PHE B 30 3.851 -2.208 1.943 1.00 0.25 H new ATOM 1367 N SER B 31 4.105 3.190 8.339 1.00 0.21 N ATOM 1368 CA SER B 31 4.556 4.009 9.456 1.00 0.26 C ATOM 1369 C SER B 31 3.706 3.746 10.697 1.00 0.25 C ATOM 1370 O SER B 31 4.197 3.810 11.821 1.00 0.27 O ATOM 1371 CB SER B 31 4.534 5.494 9.085 1.00 0.35 C ATOM 1372 OG SER B 31 3.282 5.872 8.538 1.00 1.15 O ATOM 0 H SER B 31 3.682 3.711 7.571 1.00 0.21 H new ATOM 0 HA SER B 31 5.585 3.734 9.686 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.742 6.095 9.970 1.00 0.35 H new ATOM 0 HB3 SER B 31 5.325 5.702 8.365 1.00 0.35 H new ATOM 0 HG SER B 31 3.271 5.674 7.578 1.00 1.15 H new ATOM 1378 N SER B 32 2.434 3.429 10.485 1.00 0.27 N ATOM 1379 CA SER B 32 1.541 3.080 11.580 1.00 0.30 C ATOM 1380 C SER B 32 1.989 1.768 12.221 1.00 0.28 C ATOM 1381 O SER B 32 2.001 1.634 13.449 1.00 0.36 O ATOM 1382 CB SER B 32 0.102 2.963 11.066 1.00 0.40 C ATOM 1383 OG SER B 32 -0.813 2.727 12.122 1.00 0.99 O ATOM 0 H SER B 32 1.999 3.407 9.563 1.00 0.27 H new ATOM 0 HA SER B 32 1.577 3.866 12.335 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.174 3.879 10.543 1.00 0.40 H new ATOM 0 HB3 SER B 32 0.039 2.151 10.341 1.00 0.40 H new ATOM 0 HG SER B 32 -1.641 2.349 11.759 1.00 0.99 H new ATOM 1389 N ILE B 33 2.382 0.812 11.380 1.00 0.24 N ATOM 1390 CA ILE B 33 2.853 -0.488 11.847 1.00 0.27 C ATOM 1391 C ILE B 33 4.027 -0.333 12.810 1.00 0.26 C ATOM 1392 O ILE B 33 4.018 -0.886 13.910 1.00 0.32 O ATOM 1393 CB ILE B 33 3.293 -1.394 10.675 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.134 -1.660 9.717 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.841 -2.711 11.198 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.517 -2.551 8.556 1.00 0.34 C ATOM 0 H ILE B 33 2.383 0.916 10.365 1.00 0.24 H new ATOM 0 HA ILE B 33 2.013 -0.955 12.361 1.00 0.27 H new ATOM 0 HB ILE B 33 4.078 -0.871 10.129 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.314 -2.122 10.267 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.764 -0.710 9.332 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.146 -3.337 10.359 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.701 -2.518 11.839 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.069 -3.224 11.772 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.651 -2.702 7.912 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.316 -2.080 7.984 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.860 -3.514 8.934 1.00 0.34 H new ATOM 1403 N VAL B 34 5.032 0.430 12.398 1.00 0.25 N ATOM 1404 CA VAL B 34 6.230 0.607 13.210 1.00 0.31 C ATOM 1405 C VAL B 34 5.957 1.507 14.414 1.00 0.37 C ATOM 1406 O VAL B 34 6.599 1.374 15.455 1.00 0.47 O ATOM 1407 CB VAL B 34 7.411 1.175 12.387 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.759 0.244 11.237 1.00 0.35 C ATOM 1409 CG2 VAL B 34 7.102 2.571 11.866 1.00 0.33 C ATOM 0 H VAL B 34 5.042 0.934 11.511 1.00 0.25 H new ATOM 0 HA VAL B 34 6.511 -0.384 13.567 1.00 0.31 H new ATOM 0 HB VAL B 34 8.273 1.248 13.050 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.592 0.661 10.670 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.041 -0.732 11.632 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.894 0.134 10.583 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.951 2.942 11.292 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.220 2.534 11.226 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.912 3.239 12.706 1.00 0.33 H new ATOM 1413 N GLU B 35 4.981 2.400 14.276 1.00 0.35 N ATOM 1414 CA GLU B 35 4.621 3.323 15.347 1.00 0.46 C ATOM 1415 C GLU B 35 4.087 2.565 16.560 1.00 0.51 C ATOM 1416 O GLU B 35 4.449 2.855 17.699 1.00 0.62 O ATOM 1417 CB GLU B 35 3.567 4.315 14.856 1.00 0.51 C ATOM 1418 CG GLU B 35 3.207 5.379 15.877 1.00 0.70 C ATOM 1419 CD GLU B 35 2.049 6.242 15.428 1.00 1.49 C ATOM 1420 OE1 GLU B 35 2.286 7.247 14.725 1.00 2.19 O ATOM 1421 OE2 GLU B 35 0.893 5.916 15.773 1.00 2.22 O ATOM 0 H GLU B 35 4.423 2.504 13.428 1.00 0.35 H new ATOM 0 HA GLU B 35 5.518 3.867 15.642 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.932 4.801 13.951 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.665 3.767 14.582 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.954 4.900 16.823 1.00 0.70 H new ATOM 0 HG3 GLU B 35 4.076 6.010 16.062 1.00 0.70 H new ATOM 1428 N LYS B 36 3.227 1.591 16.306 1.00 0.47 N ATOM 1429 CA LYS B 36 2.617 0.814 17.379 1.00 0.55 C ATOM 1430 C LYS B 36 3.400 -0.470 17.635 1.00 0.51 C ATOM 1431 O LYS B 36 3.011 -1.300 18.456 1.00 0.61 O ATOM 1432 CB LYS B 36 1.163 0.488 17.029 1.00 0.67 C ATOM 1433 CG LYS B 36 1.021 -0.404 15.805 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.416 -0.481 15.316 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.888 0.852 14.754 1.00 1.42 C ATOM 1436 NZ LYS B 36 -2.216 0.739 14.097 1.00 2.08 N ATOM 0 H LYS B 36 2.934 1.318 15.368 1.00 0.47 H new ATOM 0 HA LYS B 36 2.638 1.411 18.291 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.693 -0.001 17.882 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.621 1.418 16.856 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.656 -0.024 15.005 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.376 -1.406 16.045 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.499 -1.250 14.548 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.065 -0.780 16.139 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.942 1.586 15.558 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -0.157 1.221 14.034 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.331 1.513 13.412 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.282 -0.174 13.603 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -2.965 0.799 14.816 1.00 2.08 H new ATOM 1450 N LYS B 37 4.517 -0.599 16.921 1.00 0.48 N ATOM 1451 CA LYS B 37 5.372 -1.783 16.966 1.00 0.55 C ATOM 1452 C LYS B 37 4.560 -3.052 16.700 1.00 0.59 C ATOM 1453 O LYS B 37 4.559 -3.992 17.489 1.00 0.76 O ATOM 1454 CB LYS B 37 6.118 -1.883 18.301 1.00 0.72 C ATOM 1455 CG LYS B 37 7.311 -2.828 18.251 1.00 1.19 C ATOM 1456 CD LYS B 37 8.070 -2.865 19.568 1.00 1.42 C ATOM 1457 CE LYS B 37 7.249 -3.500 20.678 1.00 1.99 C ATOM 1458 NZ LYS B 37 8.021 -3.610 21.942 1.00 2.60 N ATOM 0 H LYS B 37 4.857 0.124 16.288 1.00 0.48 H new ATOM 0 HA LYS B 37 6.117 -1.683 16.177 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.461 -0.891 18.594 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.426 -2.222 19.072 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.967 -3.832 18.004 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.986 -2.517 17.453 1.00 1.19 H new ATOM 0 HD2 LYS B 37 8.997 -3.423 19.437 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.347 -1.851 19.856 1.00 1.42 H new ATOM 0 HE2 LYS B 37 6.351 -2.906 20.851 1.00 1.99 H new ATOM 0 HE3 LYS B 37 6.920 -4.491 20.365 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 7.427 -4.048 22.675 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.865 -4.197 21.784 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 8.313 -2.662 22.254 1.00 2.60 H new ATOM 1472 N GLU B 38 3.879 -3.063 15.564 1.00 0.54 N ATOM 1473 CA GLU B 38 3.085 -4.208 15.140 1.00 0.69 C ATOM 1474 C GLU B 38 3.983 -5.146 14.347 1.00 0.69 C ATOM 1475 O GLU B 38 3.624 -6.274 14.016 1.00 1.03 O ATOM 1476 CB GLU B 38 1.895 -3.715 14.297 1.00 0.79 C ATOM 1477 CG GLU B 38 1.112 -4.803 13.570 1.00 1.35 C ATOM 1478 CD GLU B 38 0.509 -5.834 14.501 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.411 -5.483 15.270 1.00 1.86 O ATOM 1480 OE2 GLU B 38 0.948 -7.005 14.458 1.00 2.11 O ATOM 0 H GLU B 38 3.861 -2.280 14.910 1.00 0.54 H new ATOM 0 HA GLU B 38 2.685 -4.749 15.998 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.210 -3.172 14.949 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.265 -3.003 13.559 1.00 0.79 H new ATOM 0 HG2 GLU B 38 0.315 -4.340 12.988 1.00 1.35 H new ATOM 0 HG3 GLU B 38 1.773 -5.305 12.863 1.00 1.35 H new ATOM 1487 N ILE B 39 5.174 -4.662 14.068 1.00 0.42 N ATOM 1488 CA ILE B 39 6.135 -5.408 13.285 1.00 0.43 C ATOM 1489 C ILE B 39 7.433 -5.592 14.065 1.00 0.48 C ATOM 1490 O ILE B 39 7.753 -4.796 14.953 1.00 0.52 O ATOM 1491 CB ILE B 39 6.411 -4.683 11.951 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.107 -5.611 10.960 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.243 -3.426 12.177 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.176 -5.041 9.564 1.00 0.47 C ATOM 0 H ILE B 39 5.502 -3.746 14.375 1.00 0.42 H new ATOM 0 HA ILE B 39 5.719 -6.392 13.071 1.00 0.43 H new ATOM 0 HB ILE B 39 5.451 -4.388 11.527 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.118 -5.817 11.312 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.579 -6.564 10.931 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.424 -2.933 11.222 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.705 -2.748 12.839 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.196 -3.697 12.632 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.682 -5.748 8.907 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.167 -4.861 9.194 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.729 -4.102 9.581 1.00 0.47 H new ATOM 1501 N SER B 40 8.155 -6.657 13.753 1.00 0.55 N ATOM 1502 CA SER B 40 9.453 -6.903 14.347 1.00 0.62 C ATOM 1503 C SER B 40 10.449 -5.852 13.870 1.00 0.53 C ATOM 1504 O SER B 40 10.418 -5.427 12.715 1.00 0.48 O ATOM 1505 CB SER B 40 9.931 -8.305 13.974 1.00 0.77 C ATOM 1506 OG SER B 40 8.992 -9.288 14.387 1.00 1.82 O ATOM 0 H SER B 40 7.858 -7.369 13.085 1.00 0.55 H new ATOM 0 HA SER B 40 9.374 -6.837 15.432 1.00 0.62 H new ATOM 0 HB2 SER B 40 10.079 -8.368 12.896 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.897 -8.500 14.440 1.00 0.77 H new ATOM 0 HG SER B 40 9.318 -10.178 14.136 1.00 1.82 H new ATOM 1512 N GLU B 41 11.319 -5.435 14.785 1.00 0.59 N ATOM 1513 CA GLU B 41 12.241 -4.326 14.563 1.00 0.60 C ATOM 1514 C GLU B 41 13.146 -4.551 13.354 1.00 0.49 C ATOM 1515 O GLU B 41 13.637 -3.589 12.761 1.00 0.46 O ATOM 1516 CB GLU B 41 13.095 -4.076 15.811 1.00 0.78 C ATOM 1517 CG GLU B 41 12.289 -3.753 17.066 1.00 1.08 C ATOM 1518 CD GLU B 41 11.820 -4.987 17.819 1.00 1.44 C ATOM 1519 OE1 GLU B 41 10.872 -5.653 17.357 1.00 2.19 O ATOM 1520 OE2 GLU B 41 12.399 -5.296 18.882 1.00 1.99 O ATOM 0 H GLU B 41 11.405 -5.860 15.708 1.00 0.59 H new ATOM 0 HA GLU B 41 11.630 -3.447 14.357 1.00 0.60 H new ATOM 0 HB2 GLU B 41 13.706 -4.958 16.002 1.00 0.78 H new ATOM 0 HB3 GLU B 41 13.779 -3.252 15.610 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.897 -3.140 17.731 1.00 1.08 H new ATOM 0 HG3 GLU B 41 11.421 -3.155 16.787 1.00 1.08 H new ATOM 1527 N ASP B 42 13.373 -5.808 12.991 1.00 0.52 N ATOM 1528 CA ASP B 42 14.170 -6.119 11.808 1.00 0.51 C ATOM 1529 C ASP B 42 13.395 -5.753 10.544 1.00 0.43 C ATOM 1530 O ASP B 42 13.960 -5.224 9.586 1.00 0.47 O ATOM 1531 CB ASP B 42 14.570 -7.600 11.783 1.00 0.61 C ATOM 1532 CG ASP B 42 13.394 -8.534 11.590 1.00 1.49 C ATOM 1533 OD1 ASP B 42 12.683 -8.813 12.578 1.00 2.29 O ATOM 1534 OD2 ASP B 42 13.174 -8.994 10.448 1.00 2.20 O ATOM 0 H ASP B 42 13.020 -6.623 13.493 1.00 0.52 H new ATOM 0 HA ASP B 42 15.085 -5.527 11.847 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.289 -7.762 10.980 1.00 0.61 H new ATOM 0 HB3 ASP B 42 15.074 -7.849 12.717 1.00 0.61 H new ATOM 1539 N GLY B 43 12.092 -6.010 10.564 1.00 0.39 N ATOM 1540 CA GLY B 43 11.245 -5.653 9.445 1.00 0.37 C ATOM 1541 C GLY B 43 10.927 -4.174 9.441 1.00 0.34 C ATOM 1542 O GLY B 43 10.682 -3.585 8.388 1.00 0.34 O ATOM 0 H GLY B 43 11.607 -6.461 11.340 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.740 -5.922 8.512 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.319 -6.225 9.491 1.00 0.37 H new ATOM 1546 N ALA B 44 10.934 -3.577 10.628 1.00 0.33 N ATOM 1547 CA ALA B 44 10.722 -2.144 10.771 1.00 0.33 C ATOM 1548 C ALA B 44 11.806 -1.370 10.033 1.00 0.32 C ATOM 1549 O ALA B 44 11.523 -0.400 9.332 1.00 0.31 O ATOM 1550 CB ALA B 44 10.697 -1.755 12.241 1.00 0.38 C ATOM 0 H ALA B 44 11.085 -4.068 11.509 1.00 0.33 H new ATOM 0 HA ALA B 44 9.757 -1.891 10.331 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.538 -0.680 12.330 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.888 -2.285 12.744 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.647 -2.021 12.704 1.00 0.38 H new ATOM 1556 N ASP B 45 13.046 -1.825 10.185 1.00 0.36 N ATOM 1557 CA ASP B 45 14.182 -1.224 9.492 1.00 0.38 C ATOM 1558 C ASP B 45 14.005 -1.329 7.983 1.00 0.36 C ATOM 1559 O ASP B 45 14.297 -0.388 7.243 1.00 0.37 O ATOM 1560 CB ASP B 45 15.485 -1.905 9.912 1.00 0.48 C ATOM 1561 CG ASP B 45 16.687 -1.371 9.158 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.156 -0.261 9.488 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.168 -2.058 8.231 1.00 1.81 O ATOM 0 H ASP B 45 13.291 -2.612 10.785 1.00 0.36 H new ATOM 0 HA ASP B 45 14.230 -0.170 9.767 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.638 -1.762 10.982 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.401 -2.979 9.743 1.00 0.48 H new ATOM 1568 N SER B 46 13.509 -2.475 7.536 1.00 0.37 N ATOM 1569 CA SER B 46 13.237 -2.695 6.124 1.00 0.40 C ATOM 1570 C SER B 46 12.186 -1.702 5.620 1.00 0.36 C ATOM 1571 O SER B 46 12.286 -1.181 4.509 1.00 0.38 O ATOM 1572 CB SER B 46 12.766 -4.134 5.910 1.00 0.50 C ATOM 1573 OG SER B 46 13.636 -5.047 6.560 1.00 0.98 O ATOM 0 H SER B 46 13.286 -3.270 8.135 1.00 0.37 H new ATOM 0 HA SER B 46 14.153 -2.535 5.555 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.753 -4.252 6.295 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.729 -4.355 4.843 1.00 0.50 H new ATOM 0 HG SER B 46 14.051 -5.634 5.894 1.00 0.98 H new ATOM 1579 N LEU B 47 11.189 -1.421 6.455 1.00 0.32 N ATOM 1580 CA LEU B 47 10.149 -0.461 6.103 1.00 0.30 C ATOM 1581 C LEU B 47 10.691 0.964 6.099 1.00 0.27 C ATOM 1582 O LEU B 47 10.143 1.837 5.435 1.00 0.28 O ATOM 1583 CB LEU B 47 8.963 -0.559 7.066 1.00 0.30 C ATOM 1584 CG LEU B 47 8.122 -1.831 6.944 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.979 -1.808 7.947 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.585 -1.980 5.527 1.00 0.41 C ATOM 0 H LEU B 47 11.080 -1.843 7.377 1.00 0.32 H new ATOM 0 HA LEU B 47 9.808 -0.707 5.097 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.339 -0.489 8.087 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.314 0.302 6.905 1.00 0.30 H new ATOM 0 HG LEU B 47 8.757 -2.689 7.163 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.390 -2.720 7.848 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.383 -1.745 8.957 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.344 -0.943 7.755 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.989 -2.890 5.458 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.963 -1.119 5.281 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.418 -2.038 4.826 1.00 0.41 H new ATOM 1598 N ASN B 48 11.767 1.194 6.840 1.00 0.26 N ATOM 1599 CA ASN B 48 12.382 2.516 6.901 1.00 0.26 C ATOM 1600 C ASN B 48 13.013 2.878 5.562 1.00 0.27 C ATOM 1601 O ASN B 48 12.718 3.933 4.991 1.00 0.32 O ATOM 1602 CB ASN B 48 13.439 2.581 8.009 1.00 0.28 C ATOM 1603 CG ASN B 48 12.852 2.522 9.410 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.474 1.991 10.328 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.662 3.077 9.592 1.00 0.40 N ATOM 0 H ASN B 48 12.232 0.485 7.407 1.00 0.26 H new ATOM 0 HA ASN B 48 11.596 3.237 7.128 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.139 1.755 7.882 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.011 3.503 7.901 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.233 3.072 10.518 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.175 3.509 8.807 1.00 0.40 H new ATOM 1612 N VAL B 49 13.868 1.997 5.048 1.00 0.27 N ATOM 1613 CA VAL B 49 14.506 2.235 3.759 1.00 0.29 C ATOM 1614 C VAL B 49 13.463 2.214 2.641 1.00 0.29 C ATOM 1615 O VAL B 49 13.539 2.993 1.689 1.00 0.32 O ATOM 1616 CB VAL B 49 15.639 1.214 3.466 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.121 -0.215 3.458 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.331 1.536 2.148 1.00 0.36 C ATOM 0 H VAL B 49 14.132 1.121 5.500 1.00 0.27 H new ATOM 0 HA VAL B 49 14.967 3.222 3.801 1.00 0.29 H new ATOM 0 HB VAL B 49 16.367 1.298 4.272 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.944 -0.899 3.250 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.690 -0.451 4.431 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.357 -0.321 2.688 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.121 0.807 1.964 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.604 1.496 1.336 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.764 2.535 2.199 1.00 0.36 H new ATOM 1622 N ALA B 50 12.468 1.343 2.783 1.00 0.30 N ATOM 1623 CA ALA B 50 11.380 1.267 1.821 1.00 0.34 C ATOM 1624 C ALA B 50 10.565 2.552 1.830 1.00 0.33 C ATOM 1625 O ALA B 50 10.091 2.998 0.791 1.00 0.37 O ATOM 1626 CB ALA B 50 10.485 0.074 2.120 1.00 0.37 C ATOM 0 H ALA B 50 12.395 0.681 3.556 1.00 0.30 H new ATOM 0 HA ALA B 50 11.812 1.138 0.829 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.677 0.034 1.390 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.071 -0.843 2.064 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.065 0.176 3.121 1.00 0.37 H new ATOM 1632 N MET B 51 10.429 3.147 3.012 1.00 0.34 N ATOM 1633 CA MET B 51 9.652 4.372 3.194 1.00 0.39 C ATOM 1634 C MET B 51 10.128 5.464 2.250 1.00 0.31 C ATOM 1635 O MET B 51 9.331 6.085 1.541 1.00 0.30 O ATOM 1636 CB MET B 51 9.781 4.856 4.638 1.00 0.52 C ATOM 1637 CG MET B 51 8.760 5.908 5.036 1.00 0.62 C ATOM 1638 SD MET B 51 7.068 5.296 4.929 1.00 0.65 S ATOM 1639 CE MET B 51 7.247 3.681 5.683 1.00 0.41 C ATOM 0 H MET B 51 10.853 2.795 3.870 1.00 0.34 H new ATOM 0 HA MET B 51 8.608 4.150 2.970 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.684 4.000 5.306 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.781 5.263 4.785 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.961 6.238 6.055 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.870 6.780 4.391 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.303 3.386 6.141 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.524 2.952 4.921 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.024 3.720 6.447 1.00 0.41 H new ATOM 1649 N ASP B 52 11.434 5.690 2.239 1.00 0.31 N ATOM 1650 CA ASP B 52 12.014 6.709 1.373 1.00 0.32 C ATOM 1651 C ASP B 52 11.883 6.308 -0.085 1.00 0.28 C ATOM 1652 O ASP B 52 11.645 7.151 -0.943 1.00 0.30 O ATOM 1653 CB ASP B 52 13.484 6.957 1.712 1.00 0.42 C ATOM 1654 CG ASP B 52 13.668 7.539 3.095 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.074 8.600 3.387 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.404 6.938 3.904 1.00 1.84 O ATOM 0 H ASP B 52 12.109 5.186 2.815 1.00 0.31 H new ATOM 0 HA ASP B 52 11.463 7.634 1.540 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.034 6.018 1.640 1.00 0.42 H new ATOM 0 HB3 ASP B 52 13.914 7.636 0.975 1.00 0.42 H new ATOM 1661 N CYS B 53 12.016 5.015 -0.352 1.00 0.27 N ATOM 1662 CA CYS B 53 11.906 4.497 -1.711 1.00 0.27 C ATOM 1663 C CYS B 53 10.504 4.725 -2.274 1.00 0.28 C ATOM 1664 O CYS B 53 10.353 5.178 -3.406 1.00 0.36 O ATOM 1665 CB CYS B 53 12.249 3.008 -1.736 1.00 0.36 C ATOM 1666 SG CYS B 53 13.928 2.629 -1.183 1.00 1.05 S ATOM 0 H CYS B 53 12.201 4.304 0.356 1.00 0.27 H new ATOM 0 HA CYS B 53 12.615 5.037 -2.339 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.540 2.472 -1.105 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.119 2.633 -2.751 1.00 0.36 H new ATOM 0 HG CYS B 53 14.076 3.014 0.050 1.00 1.05 H new ATOM 1672 N ILE B 54 9.487 4.418 -1.472 1.00 0.26 N ATOM 1673 CA ILE B 54 8.097 4.621 -1.874 1.00 0.29 C ATOM 1674 C ILE B 54 7.845 6.098 -2.155 1.00 0.30 C ATOM 1675 O ILE B 54 7.323 6.466 -3.205 1.00 0.33 O ATOM 1676 CB ILE B 54 7.112 4.149 -0.778 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.362 2.683 -0.415 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.672 4.340 -1.242 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.650 2.239 0.847 1.00 0.33 C ATOM 0 H ILE B 54 9.600 4.026 -0.537 1.00 0.26 H new ATOM 0 HA ILE B 54 7.929 4.030 -2.774 1.00 0.29 H new ATOM 0 HB ILE B 54 7.278 4.755 0.113 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.041 2.053 -1.244 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.434 2.526 -0.292 1.00 0.31 H new ATOM 0 HG21 ILE B 54 4.990 4.004 -0.461 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.494 5.395 -1.450 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.501 3.758 -2.148 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.874 1.190 1.041 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.989 2.844 1.688 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.574 2.363 0.721 1.00 0.33 H new ATOM 1686 N SER B 55 8.245 6.932 -1.208 1.00 0.30 N ATOM 1687 CA SER B 55 8.058 8.369 -1.317 1.00 0.36 C ATOM 1688 C SER B 55 8.791 8.924 -2.541 1.00 0.38 C ATOM 1689 O SER B 55 8.217 9.669 -3.342 1.00 0.41 O ATOM 1690 CB SER B 55 8.557 9.040 -0.036 1.00 0.40 C ATOM 1691 OG SER B 55 7.932 8.479 1.108 1.00 0.80 O ATOM 0 H SER B 55 8.705 6.634 -0.348 1.00 0.30 H new ATOM 0 HA SER B 55 6.997 8.582 -1.445 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.638 8.924 0.042 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.353 10.110 -0.078 1.00 0.40 H new ATOM 0 HG SER B 55 8.363 7.628 1.332 1.00 0.80 H new ATOM 1697 N GLU B 56 10.053 8.533 -2.692 1.00 0.39 N ATOM 1698 CA GLU B 56 10.883 8.977 -3.805 1.00 0.48 C ATOM 1699 C GLU B 56 10.282 8.556 -5.140 1.00 0.42 C ATOM 1700 O GLU B 56 10.329 9.304 -6.119 1.00 0.45 O ATOM 1701 CB GLU B 56 12.288 8.393 -3.661 1.00 0.59 C ATOM 1702 CG GLU B 56 13.239 8.757 -4.786 1.00 0.82 C ATOM 1703 CD GLU B 56 14.605 8.141 -4.596 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.779 6.952 -4.935 1.00 2.38 O ATOM 1705 OE2 GLU B 56 15.509 8.831 -4.089 1.00 2.66 O ATOM 0 H GLU B 56 10.527 7.901 -2.047 1.00 0.39 H new ATOM 0 HA GLU B 56 10.933 10.066 -3.784 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.714 8.733 -2.717 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.212 7.307 -3.603 1.00 0.59 H new ATOM 0 HG2 GLU B 56 12.821 8.424 -5.736 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.335 9.841 -4.842 1.00 0.82 H new ATOM 1712 N ALA B 57 9.704 7.362 -5.160 1.00 0.38 N ATOM 1713 CA ALA B 57 9.121 6.797 -6.368 1.00 0.39 C ATOM 1714 C ALA B 57 7.970 7.652 -6.895 1.00 0.33 C ATOM 1715 O ALA B 57 7.775 7.769 -8.102 1.00 0.38 O ATOM 1716 CB ALA B 57 8.646 5.379 -6.092 1.00 0.41 C ATOM 0 H ALA B 57 9.627 6.760 -4.341 1.00 0.38 H new ATOM 0 HA ALA B 57 9.891 6.779 -7.139 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.210 4.958 -6.998 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.491 4.767 -5.778 1.00 0.41 H new ATOM 0 HB3 ALA B 57 7.896 5.394 -5.302 1.00 0.41 H new ATOM 1722 N PHE B 58 7.219 8.260 -5.989 1.00 0.28 N ATOM 1723 CA PHE B 58 6.066 9.062 -6.382 1.00 0.27 C ATOM 1724 C PHE B 58 6.388 10.552 -6.365 1.00 0.30 C ATOM 1725 O PHE B 58 5.547 11.385 -6.709 1.00 0.38 O ATOM 1726 CB PHE B 58 4.878 8.762 -5.472 1.00 0.27 C ATOM 1727 CG PHE B 58 4.314 7.384 -5.665 1.00 0.25 C ATOM 1728 CD1 PHE B 58 4.931 6.281 -5.100 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.164 7.191 -6.413 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.415 5.013 -5.277 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.643 5.925 -6.593 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.268 4.835 -6.024 1.00 0.29 C ATOM 0 H PHE B 58 7.384 8.215 -4.983 1.00 0.28 H new ATOM 0 HA PHE B 58 5.805 8.792 -7.405 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.187 8.878 -4.433 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.094 9.497 -5.656 1.00 0.27 H new ATOM 0 HD1 PHE B 58 5.828 6.414 -4.513 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.669 8.040 -6.860 1.00 1.18 H new ATOM 0 HE1 PHE B 58 4.908 4.161 -4.832 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.746 5.788 -7.179 1.00 1.22 H new ATOM 0 HZ PHE B 58 2.861 3.844 -6.163 1.00 0.29 H new ATOM 1742 N GLY B 59 7.606 10.883 -5.964 1.00 0.33 N ATOM 1743 CA GLY B 59 8.053 12.260 -6.013 1.00 0.38 C ATOM 1744 C GLY B 59 7.608 13.082 -4.820 1.00 0.37 C ATOM 1745 O GLY B 59 7.184 14.229 -4.977 1.00 0.42 O ATOM 0 H GLY B 59 8.294 10.222 -5.605 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.141 12.279 -6.072 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.677 12.724 -6.925 1.00 0.38 H new ATOM 1749 N PHE B 60 7.688 12.504 -3.629 1.00 0.35 N ATOM 1750 CA PHE B 60 7.405 13.247 -2.411 1.00 0.39 C ATOM 1751 C PHE B 60 8.301 12.758 -1.280 1.00 0.39 C ATOM 1752 O PHE B 60 8.890 11.684 -1.367 1.00 0.42 O ATOM 1753 CB PHE B 60 5.916 13.142 -2.025 1.00 0.40 C ATOM 1754 CG PHE B 60 5.453 11.781 -1.564 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.524 11.428 -0.225 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.923 10.870 -2.463 1.00 1.19 C ATOM 1757 CE1 PHE B 60 5.078 10.193 0.207 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.479 9.631 -2.035 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.555 9.294 -0.698 1.00 0.33 C ATOM 0 H PHE B 60 7.945 11.528 -3.482 1.00 0.35 H new ATOM 0 HA PHE B 60 7.619 14.300 -2.593 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.714 13.862 -1.232 1.00 0.40 H new ATOM 0 HB3 PHE B 60 5.315 13.438 -2.885 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.933 12.127 0.490 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.856 11.129 -3.509 1.00 1.19 H new ATOM 0 HE1 PHE B 60 5.139 9.932 1.253 1.00 1.19 H new ATOM 0 HE2 PHE B 60 4.073 8.928 -2.747 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.206 8.329 -0.362 1.00 0.33 H new ATOM 1769 N GLU B 61 8.432 13.565 -0.239 1.00 0.47 N ATOM 1770 CA GLU B 61 9.225 13.190 0.925 1.00 0.55 C ATOM 1771 C GLU B 61 8.310 12.724 2.053 1.00 0.50 C ATOM 1772 O GLU B 61 7.097 12.904 1.967 1.00 0.47 O ATOM 1773 CB GLU B 61 10.079 14.373 1.386 1.00 0.70 C ATOM 1774 CG GLU B 61 11.069 14.862 0.337 1.00 0.80 C ATOM 1775 CD GLU B 61 12.101 13.815 -0.028 1.00 1.48 C ATOM 1776 OE1 GLU B 61 13.078 13.650 0.728 1.00 2.06 O ATOM 1777 OE2 GLU B 61 11.942 13.150 -1.073 1.00 2.33 O ATOM 0 H GLU B 61 7.999 14.486 -0.175 1.00 0.47 H new ATOM 0 HA GLU B 61 9.888 12.369 0.651 1.00 0.55 H new ATOM 0 HB2 GLU B 61 9.422 15.197 1.664 1.00 0.70 H new ATOM 0 HB3 GLU B 61 10.627 14.086 2.283 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.525 15.158 -0.560 1.00 0.80 H new ATOM 0 HG3 GLU B 61 11.577 15.752 0.710 1.00 0.80 H new ATOM 1784 N ARG B 62 8.878 12.140 3.104 1.00 0.53 N ATOM 1785 CA ARG B 62 8.077 11.598 4.210 1.00 0.53 C ATOM 1786 C ARG B 62 7.112 12.640 4.767 1.00 0.52 C ATOM 1787 O ARG B 62 5.932 12.363 4.955 1.00 0.64 O ATOM 1788 CB ARG B 62 8.967 11.090 5.347 1.00 0.62 C ATOM 1789 CG ARG B 62 9.952 10.004 4.948 1.00 1.40 C ATOM 1790 CD ARG B 62 10.691 9.473 6.165 1.00 1.46 C ATOM 1791 NE ARG B 62 11.748 8.526 5.812 1.00 2.25 N ATOM 1792 CZ ARG B 62 12.280 7.655 6.671 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.829 7.583 7.918 1.00 2.13 N ATOM 1794 NH2 ARG B 62 13.267 6.859 6.286 1.00 3.67 N ATOM 0 H ARG B 62 9.885 12.028 3.218 1.00 0.53 H new ATOM 0 HA ARG B 62 7.506 10.765 3.799 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.523 11.932 5.758 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.330 10.708 6.145 1.00 0.62 H new ATOM 0 HG2 ARG B 62 9.422 9.189 4.455 1.00 1.40 H new ATOM 0 HG3 ARG B 62 10.667 10.402 4.228 1.00 1.40 H new ATOM 0 HD2 ARG B 62 11.125 10.308 6.715 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.981 8.986 6.833 1.00 1.46 H new ATOM 0 HE ARG B 62 12.099 8.532 4.854 1.00 2.25 H new ATOM 0 HH11 ARG B 62 11.072 8.195 8.223 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.239 6.915 8.571 1.00 2.13 H new ATOM 0 HH21 ARG B 62 13.622 6.911 5.331 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.672 6.194 6.945 1.00 3.67 H new ATOM 1808 N GLU B 63 7.609 13.843 5.013 1.00 0.57 N ATOM 1809 CA GLU B 63 6.793 14.903 5.600 1.00 0.63 C ATOM 1810 C GLU B 63 5.755 15.433 4.609 1.00 0.62 C ATOM 1811 O GLU B 63 4.815 16.132 4.994 1.00 0.74 O ATOM 1812 CB GLU B 63 7.683 16.047 6.084 1.00 0.73 C ATOM 1813 CG GLU B 63 8.614 15.650 7.220 1.00 1.69 C ATOM 1814 CD GLU B 63 9.523 16.782 7.649 1.00 2.52 C ATOM 1815 OE1 GLU B 63 9.103 17.602 8.492 1.00 3.12 O ATOM 1816 OE2 GLU B 63 10.661 16.861 7.148 1.00 3.19 O ATOM 0 H GLU B 63 8.573 14.113 4.816 1.00 0.57 H new ATOM 0 HA GLU B 63 6.258 14.476 6.448 1.00 0.63 H new ATOM 0 HB2 GLU B 63 8.278 16.413 5.248 1.00 0.73 H new ATOM 0 HB3 GLU B 63 7.053 16.873 6.413 1.00 0.73 H new ATOM 0 HG2 GLU B 63 8.021 15.322 8.073 1.00 1.69 H new ATOM 0 HG3 GLU B 63 9.221 14.800 6.908 1.00 1.69 H new ATOM 1823 N ALA B 64 5.913 15.083 3.339 1.00 0.55 N ATOM 1824 CA ALA B 64 5.038 15.593 2.293 1.00 0.59 C ATOM 1825 C ALA B 64 3.723 14.824 2.236 1.00 0.53 C ATOM 1826 O ALA B 64 2.745 15.304 1.661 1.00 0.56 O ATOM 1827 CB ALA B 64 5.739 15.542 0.945 1.00 0.66 C ATOM 0 H ALA B 64 6.639 14.448 3.009 1.00 0.55 H new ATOM 0 HA ALA B 64 4.805 16.630 2.533 1.00 0.59 H new ATOM 0 HB1 ALA B 64 5.072 15.927 0.173 1.00 0.66 H new ATOM 0 HB2 ALA B 64 6.642 16.152 0.981 1.00 0.66 H new ATOM 0 HB3 ALA B 64 6.006 14.511 0.713 1.00 0.66 H new ATOM 1833 N VAL B 65 3.689 13.638 2.843 1.00 0.50 N ATOM 1834 CA VAL B 65 2.468 12.835 2.863 1.00 0.46 C ATOM 1835 C VAL B 65 1.360 13.573 3.612 1.00 0.52 C ATOM 1836 O VAL B 65 0.176 13.421 3.305 1.00 0.53 O ATOM 1837 CB VAL B 65 2.694 11.433 3.491 1.00 0.46 C ATOM 1838 CG1 VAL B 65 3.119 11.530 4.944 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.447 10.576 3.370 1.00 0.50 C ATOM 0 H VAL B 65 4.484 13.216 3.323 1.00 0.50 H new ATOM 0 HA VAL B 65 2.167 12.682 1.826 1.00 0.46 H new ATOM 0 HB VAL B 65 3.502 10.960 2.934 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.267 10.528 5.347 1.00 0.51 H new ATOM 0 HG12 VAL B 65 4.051 12.091 5.014 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.345 12.041 5.516 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.632 9.599 3.817 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.620 11.062 3.888 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.192 10.451 2.318 1.00 0.50 H new ATOM 1843 N SER B 66 1.760 14.399 4.571 1.00 0.62 N ATOM 1844 CA SER B 66 0.827 15.208 5.334 1.00 0.74 C ATOM 1845 C SER B 66 0.092 16.181 4.415 1.00 0.75 C ATOM 1846 O SER B 66 -1.109 16.412 4.566 1.00 0.83 O ATOM 1847 CB SER B 66 1.587 15.972 6.415 1.00 0.88 C ATOM 1848 OG SER B 66 2.477 15.110 7.102 1.00 1.63 O ATOM 0 H SER B 66 2.736 14.524 4.838 1.00 0.62 H new ATOM 0 HA SER B 66 0.089 14.558 5.804 1.00 0.74 H new ATOM 0 HB2 SER B 66 2.143 16.794 5.964 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.882 16.413 7.120 1.00 0.88 H new ATOM 0 HG SER B 66 2.957 15.616 7.790 1.00 1.63 H new ATOM 1854 N GLY B 67 0.823 16.733 3.449 1.00 0.71 N ATOM 1855 CA GLY B 67 0.225 17.634 2.485 1.00 0.74 C ATOM 1856 C GLY B 67 -0.644 16.895 1.491 1.00 0.69 C ATOM 1857 O GLY B 67 -1.724 17.364 1.131 1.00 0.74 O ATOM 0 H GLY B 67 1.821 16.570 3.319 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -0.374 18.380 3.007 1.00 0.74 H new ATOM 0 HA3 GLY B 67 1.010 18.171 1.953 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.182 15.725 1.059 1.00 0.61 N ATOM 1862 CA ILE B 68 -0.950 14.896 0.137 1.00 0.58 C ATOM 1863 C ILE B 68 -2.295 14.532 0.750 1.00 0.62 C ATOM 1864 O ILE B 68 -3.343 14.796 0.164 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.197 13.601 -0.239 1.00 0.50 C ATOM 1866 CG1 ILE B 68 1.158 13.935 -0.867 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.033 12.757 -1.196 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.974 12.713 -1.228 1.00 0.45 C ATOM 0 H ILE B 68 0.718 15.331 1.332 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.100 15.480 -0.771 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.025 13.025 0.670 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.996 14.532 -1.764 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.729 14.551 -0.173 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.488 11.848 -1.451 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -1.976 12.492 -0.718 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.233 13.327 -2.104 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.921 13.025 -1.668 1.00 0.45 H new ATOM 0 HD12 ILE B 68 2.167 12.126 -0.330 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.423 12.106 -1.946 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.258 13.969 1.954 1.00 0.61 N ATOM 1876 CA LEU B 69 -3.472 13.552 2.651 1.00 0.66 C ATOM 1877 C LEU B 69 -4.284 14.753 3.129 1.00 0.84 C ATOM 1878 O LEU B 69 -5.365 14.599 3.698 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.124 12.643 3.834 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.557 11.275 3.452 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.123 10.508 4.690 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.581 10.470 2.664 1.00 0.45 C ATOM 0 H LEU B 69 -1.396 13.790 2.470 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.085 12.994 1.943 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -2.400 13.156 4.467 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.021 12.493 4.434 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.683 11.435 2.821 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.723 9.538 4.395 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.354 11.073 5.217 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -2.980 10.362 5.347 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.158 9.500 2.402 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.474 10.324 3.271 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.845 11.009 1.754 1.00 0.45 H new ATOM 1894 N GLY B 70 -3.752 15.946 2.909 1.00 0.79 N ATOM 1895 CA GLY B 70 -4.498 17.150 3.195 1.00 0.93 C ATOM 1896 C GLY B 70 -5.476 17.464 2.083 1.00 0.98 C ATOM 1897 O GLY B 70 -6.572 17.966 2.327 1.00 1.24 O ATOM 0 H GLY B 70 -2.815 16.100 2.537 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -5.037 17.032 4.135 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -3.810 17.985 3.325 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.077 17.146 0.857 1.00 0.86 N ATOM 1902 CA LYS B 71 -5.924 17.361 -0.306 1.00 0.97 C ATOM 1903 C LYS B 71 -6.690 16.088 -0.642 1.00 0.98 C ATOM 1904 O LYS B 71 -7.867 16.139 -1.006 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.081 17.807 -1.506 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.888 18.053 -2.774 1.00 1.68 C ATOM 1907 CD LYS B 71 -6.936 19.137 -2.574 1.00 2.11 C ATOM 1908 CE LYS B 71 -7.721 19.402 -3.849 1.00 2.60 C ATOM 1909 NZ LYS B 71 -6.848 19.900 -4.947 1.00 3.15 N ATOM 0 H LYS B 71 -4.167 16.737 0.644 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.640 18.149 -0.074 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.549 18.721 -1.243 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.327 17.047 -1.710 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.216 18.341 -3.582 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -6.376 17.128 -3.080 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -7.621 18.839 -1.780 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -6.451 20.057 -2.248 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -8.216 18.485 -4.167 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -8.504 20.134 -3.648 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -7.438 20.274 -5.717 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -6.231 20.655 -4.585 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -6.264 19.119 -5.307 1.00 3.15 H new ATOM 1923 N SER B 72 -6.019 14.949 -0.516 1.00 0.91 N ATOM 1924 CA SER B 72 -6.651 13.660 -0.741 1.00 1.08 C ATOM 1925 C SER B 72 -7.790 13.458 0.248 1.00 1.03 C ATOM 1926 O SER B 72 -7.698 13.849 1.412 1.00 1.20 O ATOM 1927 CB SER B 72 -5.621 12.541 -0.599 1.00 1.29 C ATOM 1928 OG SER B 72 -4.531 12.754 -1.478 1.00 2.02 O ATOM 0 H SER B 72 -5.034 14.895 -0.258 1.00 0.91 H new ATOM 0 HA SER B 72 -7.057 13.635 -1.752 1.00 1.08 H new ATOM 0 HB2 SER B 72 -5.263 12.497 0.430 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.088 11.580 -0.815 1.00 1.29 H new ATOM 0 HG SER B 72 -3.939 13.441 -1.105 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.865 12.851 -0.222 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.059 12.691 0.589 1.00 1.30 C ATOM 1936 C GLU B 73 -9.976 11.439 1.455 1.00 1.26 C ATOM 1937 O GLU B 73 -10.894 11.134 2.219 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.285 12.640 -0.307 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.288 11.463 -1.257 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.485 11.475 -2.181 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.529 12.338 -3.078 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -13.386 10.632 -2.011 1.00 2.46 O ATOM 0 H GLU B 73 -8.936 12.460 -1.162 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.139 13.548 1.257 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -12.179 12.597 0.315 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.342 13.563 -0.884 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.374 11.475 -1.850 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.284 10.536 -0.684 1.00 1.87 H new ATOM 1949 N PHE B 74 -8.862 10.728 1.345 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.638 9.526 2.132 1.00 1.02 C ATOM 1951 C PHE B 74 -8.133 9.893 3.524 1.00 1.07 C ATOM 1952 O PHE B 74 -7.063 9.462 3.955 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.641 8.604 1.425 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.132 8.097 0.096 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.990 7.012 0.031 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.738 8.707 -1.086 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.450 6.545 -1.184 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -8.194 8.242 -2.304 1.00 1.25 C ATOM 1959 CZ PHE B 74 -9.051 7.161 -2.353 1.00 1.19 C ATOM 0 H PHE B 74 -8.096 10.966 0.714 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.584 8.995 2.235 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.704 9.141 1.277 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.423 7.754 2.071 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.303 6.525 0.943 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -7.068 9.554 -1.054 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -10.121 5.699 -1.220 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -7.880 8.724 -3.218 1.00 1.25 H new ATOM 0 HZ PHE B 74 -9.409 6.798 -3.305 1.00 1.19 H new ATOM 2015 N HIS B 78 -8.380 4.660 7.690 1.00 0.88 N ATOM 2016 CA HIS B 78 -7.065 4.105 7.433 1.00 0.85 C ATOM 2017 C HIS B 78 -7.170 3.088 6.302 1.00 0.69 C ATOM 2018 O HIS B 78 -8.266 2.615 5.999 1.00 0.68 O ATOM 2019 CB HIS B 78 -6.498 3.461 8.700 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.045 3.750 8.918 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -4.157 2.827 9.424 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.325 4.878 8.707 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -2.960 3.372 9.517 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -3.035 4.614 9.086 1.00 1.85 N ATOM 0 HA HIS B 78 -6.382 4.901 7.136 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -7.064 3.814 9.562 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -6.641 2.382 8.645 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -4.698 5.812 8.313 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -2.070 2.883 9.884 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -2.258 5.273 9.041 1.00 1.85 H new ATOM 2033 N LEU B 79 -6.040 2.753 5.684 1.00 0.60 N ATOM 2034 CA LEU B 79 -6.032 1.937 4.469 1.00 0.46 C ATOM 2035 C LEU B 79 -6.819 0.635 4.633 1.00 0.44 C ATOM 2036 O LEU B 79 -7.677 0.318 3.812 1.00 0.42 O ATOM 2037 CB LEU B 79 -4.593 1.626 4.044 1.00 0.44 C ATOM 2038 CG LEU B 79 -4.458 0.815 2.751 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -5.015 1.592 1.567 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -3.007 0.437 2.503 1.00 0.41 C ATOM 0 H LEU B 79 -5.114 3.035 6.005 1.00 0.60 H new ATOM 0 HA LEU B 79 -6.526 2.521 3.692 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -4.055 2.566 3.923 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -4.103 1.080 4.850 1.00 0.44 H new ATOM 0 HG LEU B 79 -5.038 -0.101 2.864 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.909 0.998 0.659 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -6.070 1.809 1.738 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.466 2.527 1.455 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.934 -0.138 1.580 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -2.405 1.342 2.416 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.640 -0.164 3.335 1.00 0.41 H new ATOM 2052 N ALA B 80 -6.550 -0.106 5.699 1.00 0.50 N ATOM 2053 CA ALA B 80 -7.159 -1.419 5.873 1.00 0.54 C ATOM 2054 C ALA B 80 -8.654 -1.324 6.157 1.00 0.58 C ATOM 2055 O ALA B 80 -9.404 -2.243 5.839 1.00 0.61 O ATOM 2056 CB ALA B 80 -6.456 -2.197 6.966 1.00 0.63 C ATOM 0 H ALA B 80 -5.920 0.175 6.450 1.00 0.50 H new ATOM 0 HA ALA B 80 -7.041 -1.956 4.932 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -6.927 -3.173 7.078 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -5.407 -2.329 6.702 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -6.527 -1.649 7.906 1.00 0.63 H new ATOM 2062 N ASP B 81 -9.089 -0.215 6.747 1.00 0.64 N ATOM 2063 CA ASP B 81 -10.515 -0.001 6.992 1.00 0.70 C ATOM 2064 C ASP B 81 -11.231 0.187 5.663 1.00 0.60 C ATOM 2065 O ASP B 81 -12.363 -0.266 5.472 1.00 0.67 O ATOM 2066 CB ASP B 81 -10.744 1.219 7.887 1.00 0.78 C ATOM 2067 CG ASP B 81 -12.186 1.331 8.355 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -13.040 1.801 7.576 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -12.473 0.943 9.506 1.00 2.30 O ATOM 0 H ASP B 81 -8.484 0.543 7.062 1.00 0.64 H new ATOM 0 HA ASP B 81 -10.915 -0.875 7.507 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -10.087 1.158 8.755 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.470 2.123 7.342 1.00 0.78 H new ATOM 2074 N ILE B 82 -10.545 0.849 4.743 1.00 0.50 N ATOM 2075 CA ILE B 82 -11.024 1.009 3.379 1.00 0.44 C ATOM 2076 C ILE B 82 -11.186 -0.355 2.713 1.00 0.48 C ATOM 2077 O ILE B 82 -12.234 -0.663 2.144 1.00 0.60 O ATOM 2078 CB ILE B 82 -10.049 1.879 2.557 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -10.085 3.329 3.053 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -10.366 1.800 1.072 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -9.066 4.226 2.387 1.00 0.61 C ATOM 0 H ILE B 82 -9.642 1.289 4.921 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.993 1.508 3.414 1.00 0.44 H new ATOM 0 HB ILE B 82 -9.040 1.493 2.698 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -11.081 3.737 2.883 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.916 3.339 4.130 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.664 2.422 0.517 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -10.280 0.767 0.736 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -11.382 2.155 0.897 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.152 5.235 2.789 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -8.064 3.843 2.579 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.247 4.247 1.312 1.00 0.61 H new ATOM 2088 N LEU B 83 -10.146 -1.175 2.812 1.00 0.44 N ATOM 2089 CA LEU B 83 -10.164 -2.520 2.247 1.00 0.52 C ATOM 2090 C LEU B 83 -11.208 -3.389 2.944 1.00 0.69 C ATOM 2091 O LEU B 83 -11.816 -4.260 2.327 1.00 0.83 O ATOM 2092 CB LEU B 83 -8.778 -3.169 2.359 1.00 0.47 C ATOM 2093 CG LEU B 83 -7.767 -2.803 1.260 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -7.521 -1.302 1.200 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -6.457 -3.541 1.489 1.00 0.43 C ATOM 0 H LEU B 83 -9.274 -0.930 3.281 1.00 0.44 H new ATOM 0 HA LEU B 83 -10.430 -2.439 1.193 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -8.349 -2.897 3.324 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -8.906 -4.252 2.361 1.00 0.47 H new ATOM 0 HG LEU B 83 -8.190 -3.108 0.303 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.801 -1.083 0.411 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -8.459 -0.788 0.989 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -7.127 -0.959 2.157 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -5.748 -3.275 0.705 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -6.047 -3.262 2.460 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -6.636 -4.616 1.466 1.00 0.43 H new ATOM 2107 N ASN B 84 -11.419 -3.132 4.230 1.00 0.74 N ATOM 2108 CA ASN B 84 -12.410 -3.863 5.020 1.00 0.94 C ATOM 2109 C ASN B 84 -13.824 -3.546 4.536 1.00 0.97 C ATOM 2110 O ASN B 84 -14.758 -4.316 4.754 1.00 1.14 O ATOM 2111 CB ASN B 84 -12.272 -3.496 6.502 1.00 1.03 C ATOM 2112 CG ASN B 84 -13.182 -4.309 7.407 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -13.443 -5.484 7.157 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -13.676 -3.686 8.463 1.00 1.79 N ATOM 0 H ASN B 84 -10.914 -2.417 4.754 1.00 0.74 H new ATOM 0 HA ASN B 84 -12.232 -4.931 4.896 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -11.237 -3.643 6.811 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -12.495 -2.437 6.630 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -14.297 -4.181 9.103 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -13.437 -2.710 8.638 1.00 1.79 H new ATOM 2121 N SER B 85 -13.969 -2.411 3.864 1.00 0.87 N ATOM 2122 CA SER B 85 -15.263 -1.984 3.355 1.00 0.93 C ATOM 2123 C SER B 85 -15.577 -2.668 2.025 1.00 0.91 C ATOM 2124 O SER B 85 -16.700 -2.592 1.521 1.00 1.01 O ATOM 2125 CB SER B 85 -15.279 -0.464 3.186 1.00 0.97 C ATOM 2126 OG SER B 85 -14.927 0.185 4.399 1.00 1.50 O ATOM 0 H SER B 85 -13.203 -1.769 3.659 1.00 0.87 H new ATOM 0 HA SER B 85 -16.030 -2.272 4.074 1.00 0.93 H new ATOM 0 HB2 SER B 85 -14.583 -0.174 2.399 1.00 0.97 H new ATOM 0 HB3 SER B 85 -16.270 -0.140 2.870 1.00 0.97 H new ATOM 0 HG SER B 85 -13.997 -0.027 4.626 1.00 1.50 H new ATOM 2132 N ALA B 86 -14.581 -3.343 1.463 1.00 0.88 N ATOM 2133 CA ALA B 86 -14.756 -4.061 0.210 1.00 0.95 C ATOM 2134 C ALA B 86 -15.422 -5.409 0.459 1.00 1.14 C ATOM 2135 O ALA B 86 -15.671 -5.788 1.603 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.417 -4.247 -0.486 1.00 1.09 C ATOM 0 H ALA B 86 -13.643 -3.407 1.858 1.00 0.88 H new ATOM 0 HA ALA B 86 -15.403 -3.472 -0.440 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.565 -4.786 -1.422 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.977 -3.272 -0.694 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.748 -4.817 0.159 1.00 1.09 H new