USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -160:sc= -0.101 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00635 X(o=-0.0063,f=-0.26) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= -0.265 (180deg=-1.44!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 153:sc= -0.0556 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 20:sc= -0.288 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= 0.00212 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.907 5.172 10.251 1.00 0.00 N ATOM 2 CA GLY A 17 -7.427 6.211 9.360 1.00 0.00 C ATOM 3 C GLY A 17 -6.282 5.744 8.482 1.00 0.00 C ATOM 4 O GLY A 17 -5.305 6.469 8.290 1.00 0.00 O ATOM 0 HA2 GLY A 17 -8.248 6.551 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.102 7.068 9.950 1.00 0.00 H new ATOM 8 N LEU A 18 -6.401 4.535 7.944 1.00 0.00 N ATOM 9 CA LEU A 18 -5.366 3.979 7.081 1.00 0.00 C ATOM 10 C LEU A 18 -5.887 3.811 5.655 1.00 0.00 C ATOM 11 O LEU A 18 -6.622 2.855 5.349 1.00 0.00 O ATOM 12 CB LEU A 18 -4.876 2.635 7.629 1.00 0.00 C ATOM 13 CG LEU A 18 -4.089 2.715 8.940 1.00 0.00 C ATOM 14 CD1 LEU A 18 -4.905 3.409 10.017 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.679 1.321 9.396 1.00 0.00 C ATOM 0 H LEU A 18 -7.203 3.922 8.090 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.527 4.674 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.739 1.986 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.248 2.160 6.875 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.188 3.303 8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.326 3.454 10.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.151 4.420 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.825 2.851 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.120 1.393 10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.570 0.713 9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.053 0.858 8.633 1.00 0.00 H new ATOM 27 N MET A 19 -5.483 4.737 4.776 1.00 0.00 N ATOM 28 CA MET A 19 -5.902 4.681 3.379 1.00 0.00 C ATOM 29 C MET A 19 -4.721 4.255 2.544 1.00 0.00 C ATOM 30 O MET A 19 -3.663 4.881 2.607 1.00 0.00 O ATOM 31 CB MET A 19 -6.421 6.042 2.911 1.00 0.00 C ATOM 32 CG MET A 19 -7.597 6.557 3.722 1.00 0.00 C ATOM 33 SD MET A 19 -7.775 8.349 3.629 1.00 0.00 S ATOM 34 CE MET A 19 -9.266 8.590 4.591 1.00 0.00 C ATOM 0 H MET A 19 -4.875 5.522 5.008 1.00 0.00 H new ATOM 0 HA MET A 19 -6.715 3.963 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.610 6.768 2.962 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.717 5.968 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.513 6.086 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.472 6.262 4.764 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.508 9.652 4.627 1.00 0.00 H new ATOM 0 HE2 MET A 19 -10.089 8.045 4.129 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.109 8.219 5.604 1.00 0.00 H new ATOM 44 N VAL A 20 -4.863 3.189 1.791 1.00 0.00 N ATOM 45 CA VAL A 20 -3.749 2.692 1.000 1.00 0.00 C ATOM 46 C VAL A 20 -4.138 2.378 -0.438 1.00 0.00 C ATOM 47 O VAL A 20 -5.217 1.846 -0.699 1.00 0.00 O ATOM 48 CB VAL A 20 -3.191 1.405 1.661 1.00 0.00 C ATOM 49 CG1 VAL A 20 -2.076 0.766 0.842 1.00 0.00 C ATOM 50 CG2 VAL A 20 -2.710 1.696 3.073 1.00 0.00 C ATOM 0 H VAL A 20 -5.726 2.651 1.706 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.997 3.481 0.971 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.011 0.688 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.721 -0.131 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.456 0.499 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.253 1.472 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.322 0.781 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.921 2.447 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.542 2.068 3.671 1.00 0.00 H new ATOM 60 N GLU A 21 -3.218 2.613 -1.366 1.00 0.00 N ATOM 61 CA GLU A 21 -3.458 2.208 -2.742 1.00 0.00 C ATOM 62 C GLU A 21 -2.960 0.790 -2.745 1.00 0.00 C ATOM 63 O GLU A 21 -1.823 0.559 -2.345 1.00 0.00 O ATOM 64 CB GLU A 21 -2.671 3.051 -3.753 1.00 0.00 C ATOM 65 CG GLU A 21 -3.530 3.635 -4.861 1.00 0.00 C ATOM 66 CD GLU A 21 -2.883 4.830 -5.533 1.00 0.00 C ATOM 67 OE1 GLU A 21 -2.098 4.626 -6.483 1.00 0.00 O ATOM 68 OE2 GLU A 21 -3.160 5.972 -5.106 1.00 0.00 O ATOM 0 H GLU A 21 -2.322 3.070 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.501 2.327 -3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.173 3.864 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.890 2.434 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.726 2.865 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.494 3.933 -4.449 1.00 0.00 H new ATOM 75 N VAL A 22 -3.775 -0.178 -3.090 1.00 0.00 N ATOM 76 CA VAL A 22 -3.300 -1.544 -2.972 1.00 0.00 C ATOM 77 C VAL A 22 -3.416 -2.381 -4.216 1.00 0.00 C ATOM 78 O VAL A 22 -4.483 -2.473 -4.829 1.00 0.00 O ATOM 79 CB VAL A 22 -4.052 -2.264 -1.841 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.449 -3.637 -1.573 1.00 0.00 C ATOM 81 CG2 VAL A 22 -4.049 -1.412 -0.580 1.00 0.00 C ATOM 0 H VAL A 22 -4.726 -0.062 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.234 -1.444 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.086 -2.412 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.999 -4.125 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.511 -4.244 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.404 -3.525 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.585 -1.934 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.021 -1.231 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.539 -0.460 -0.783 1.00 0.00 H new ATOM 91 N VAL A 23 -2.324 -3.081 -4.511 1.00 0.00 N ATOM 92 CA VAL A 23 -2.325 -4.022 -5.593 1.00 0.00 C ATOM 93 C VAL A 23 -1.934 -5.374 -5.013 1.00 0.00 C ATOM 94 O VAL A 23 -0.823 -5.571 -4.513 1.00 0.00 O ATOM 95 CB VAL A 23 -1.334 -3.628 -6.705 1.00 0.00 C ATOM 96 CG1 VAL A 23 -1.493 -4.538 -7.914 1.00 0.00 C ATOM 97 CG2 VAL A 23 -1.525 -2.171 -7.096 1.00 0.00 C ATOM 0 H VAL A 23 -1.438 -3.005 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.315 -4.048 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.321 -3.749 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.784 -4.243 -8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.301 -5.570 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.508 -4.454 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.817 -1.910 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.542 -2.022 -7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.353 -1.536 -6.227 1.00 0.00 H new ATOM 107 N GLU A 24 -2.860 -6.294 -5.105 1.00 0.00 N ATOM 108 CA GLU A 24 -2.681 -7.648 -4.603 1.00 0.00 C ATOM 109 C GLU A 24 -3.447 -8.661 -5.449 1.00 0.00 C ATOM 110 O GLU A 24 -4.157 -8.302 -6.396 1.00 0.00 O ATOM 111 CB GLU A 24 -3.140 -7.737 -3.147 1.00 0.00 C ATOM 112 CG GLU A 24 -4.521 -7.148 -2.907 1.00 0.00 C ATOM 113 CD GLU A 24 -5.409 -8.060 -2.081 1.00 0.00 C ATOM 114 OE1 GLU A 24 -4.935 -8.571 -1.045 1.00 0.00 O ATOM 115 OE2 GLU A 24 -6.579 -8.262 -2.470 1.00 0.00 O ATOM 0 H GLU A 24 -3.771 -6.131 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.619 -7.887 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.141 -8.782 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.418 -7.219 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.420 -6.189 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.000 -6.952 -3.866 1.00 0.00 H new ATOM 122 N SER A 25 -3.288 -9.931 -5.098 1.00 0.00 N ATOM 123 CA SER A 25 -3.963 -11.011 -5.800 1.00 0.00 C ATOM 124 C SER A 25 -3.545 -11.077 -7.266 1.00 0.00 C ATOM 125 O SER A 25 -3.840 -10.168 -8.043 1.00 0.00 O ATOM 126 CB SER A 25 -5.480 -10.826 -5.699 1.00 0.00 C ATOM 127 OG SER A 25 -5.833 -10.134 -4.511 1.00 0.00 O ATOM 0 H SER A 25 -2.694 -10.237 -4.327 1.00 0.00 H new ATOM 0 HA SER A 25 -3.674 -11.950 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.840 -10.273 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.970 -11.800 -5.716 1.00 0.00 H new ATOM 0 HG SER A 25 -6.777 -10.299 -4.304 1.00 0.00 H new ATOM 133 N PRO A 26 -2.866 -12.165 -7.673 1.00 0.00 N ATOM 134 CA PRO A 26 -2.431 -12.348 -9.055 1.00 0.00 C ATOM 135 C PRO A 26 -3.551 -12.895 -9.940 1.00 0.00 C ATOM 136 O PRO A 26 -3.318 -13.294 -11.081 1.00 0.00 O ATOM 137 CB PRO A 26 -1.305 -13.368 -8.922 1.00 0.00 C ATOM 138 CG PRO A 26 -1.694 -14.205 -7.751 1.00 0.00 C ATOM 139 CD PRO A 26 -2.480 -13.310 -6.823 1.00 0.00 C ATOM 0 HA PRO A 26 -2.128 -11.413 -9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.207 -13.970 -9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.344 -12.879 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.294 -15.058 -8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.812 -14.604 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.355 -13.821 -6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.878 -12.991 -5.972 1.00 0.00 H new ATOM 147 N ASN A 27 -4.771 -12.910 -9.397 1.00 0.00 N ATOM 148 CA ASN A 27 -5.944 -13.403 -10.114 1.00 0.00 C ATOM 149 C ASN A 27 -5.968 -12.907 -11.558 1.00 0.00 C ATOM 150 O ASN A 27 -5.294 -11.936 -11.904 1.00 0.00 O ATOM 151 CB ASN A 27 -7.214 -12.955 -9.387 1.00 0.00 C ATOM 152 CG ASN A 27 -7.991 -14.121 -8.806 1.00 0.00 C ATOM 153 OD1 ASN A 27 -8.509 -14.964 -9.539 1.00 0.00 O ATOM 154 ND2 ASN A 27 -8.076 -14.174 -7.481 1.00 0.00 N ATOM 0 H ASN A 27 -4.970 -12.582 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.896 -14.492 -10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.947 -12.265 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.852 -12.407 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.586 -14.935 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.631 -13.454 -6.912 1.00 0.00 H new ATOM 161 N HIS A 28 -6.756 -13.578 -12.393 1.00 0.00 N ATOM 162 CA HIS A 28 -6.878 -13.203 -13.797 1.00 0.00 C ATOM 163 C HIS A 28 -7.282 -11.738 -13.930 1.00 0.00 C ATOM 164 O HIS A 28 -6.919 -11.065 -14.893 1.00 0.00 O ATOM 165 CB HIS A 28 -7.907 -14.094 -14.497 1.00 0.00 C ATOM 166 CG HIS A 28 -7.403 -15.472 -14.796 1.00 0.00 C ATOM 167 ND1 HIS A 28 -6.291 -16.016 -14.187 1.00 0.00 N ATOM 168 CD2 HIS A 28 -7.867 -16.419 -15.645 1.00 0.00 C ATOM 169 CE1 HIS A 28 -6.093 -17.237 -14.650 1.00 0.00 C ATOM 170 NE2 HIS A 28 -7.035 -17.506 -15.534 1.00 0.00 N ATOM 0 H HIS A 28 -7.319 -14.384 -12.121 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.907 -13.341 -14.273 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.796 -14.169 -13.871 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.213 -13.618 -15.429 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.730 -16.335 -16.289 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.295 -17.903 -14.355 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -7.130 -18.380 -16.051 1.00 0.00 H new ATOM 179 N SER A 29 -8.035 -11.252 -12.948 1.00 0.00 N ATOM 180 CA SER A 29 -8.489 -9.868 -12.943 1.00 0.00 C ATOM 181 C SER A 29 -7.668 -9.034 -11.963 1.00 0.00 C ATOM 182 O SER A 29 -7.500 -7.829 -12.148 1.00 0.00 O ATOM 183 CB SER A 29 -9.971 -9.795 -12.574 1.00 0.00 C ATOM 184 OG SER A 29 -10.526 -8.540 -12.929 1.00 0.00 O ATOM 0 H SER A 29 -8.344 -11.799 -12.144 1.00 0.00 H new ATOM 0 HA SER A 29 -8.353 -9.462 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.514 -10.592 -13.081 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.090 -9.959 -11.503 1.00 0.00 H new ATOM 0 HG SER A 29 -11.475 -8.521 -12.684 1.00 0.00 H new ATOM 190 N GLU A 30 -7.159 -9.685 -10.918 1.00 0.00 N ATOM 191 CA GLU A 30 -6.357 -9.002 -9.909 1.00 0.00 C ATOM 192 C GLU A 30 -7.176 -7.925 -9.205 1.00 0.00 C ATOM 193 O GLU A 30 -8.110 -7.368 -9.783 1.00 0.00 O ATOM 194 CB GLU A 30 -5.115 -8.379 -10.556 1.00 0.00 C ATOM 195 CG GLU A 30 -4.230 -7.622 -9.577 1.00 0.00 C ATOM 196 CD GLU A 30 -2.763 -7.686 -9.952 1.00 0.00 C ATOM 197 OE1 GLU A 30 -2.357 -8.676 -10.596 1.00 0.00 O ATOM 198 OE2 GLU A 30 -2.019 -6.746 -9.601 1.00 0.00 O ATOM 0 H GLU A 30 -7.288 -10.683 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.042 -9.735 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.528 -9.167 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.431 -7.699 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.546 -6.580 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.364 -8.034 -8.577 1.00 0.00 H new ATOM 205 N VAL A 31 -6.820 -7.630 -7.959 1.00 0.00 N ATOM 206 CA VAL A 31 -7.526 -6.609 -7.188 1.00 0.00 C ATOM 207 C VAL A 31 -6.583 -5.460 -6.880 1.00 0.00 C ATOM 208 O VAL A 31 -5.891 -5.474 -5.843 1.00 0.00 O ATOM 209 CB VAL A 31 -8.077 -7.171 -5.861 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.352 -6.447 -5.465 1.00 0.00 C ATOM 211 CG2 VAL A 31 -8.319 -8.672 -5.958 1.00 0.00 C ATOM 0 H VAL A 31 -6.051 -8.080 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.367 -6.265 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.328 -7.003 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.727 -6.856 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.143 -5.385 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.103 -6.580 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.707 -9.040 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.042 -8.874 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.381 -9.178 -6.187 1.00 0.00 H new ATOM 221 N GLY A 32 -6.616 -4.418 -7.698 1.00 0.00 N ATOM 222 CA GLY A 32 -5.807 -3.270 -7.430 1.00 0.00 C ATOM 223 C GLY A 32 -6.671 -2.060 -7.575 1.00 0.00 C ATOM 224 O GLY A 32 -7.115 -1.706 -8.649 1.00 0.00 O ATOM 0 H GLY A 32 -7.191 -4.357 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.389 -3.323 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.966 -3.225 -8.122 1.00 0.00 H new ATOM 228 N ILE A 33 -6.862 -1.380 -6.502 1.00 0.00 N ATOM 229 CA ILE A 33 -7.671 -0.209 -6.532 1.00 0.00 C ATOM 230 C ILE A 33 -7.365 0.669 -5.358 1.00 0.00 C ATOM 231 O ILE A 33 -6.501 0.366 -4.533 1.00 0.00 O ATOM 232 CB ILE A 33 -9.173 -0.600 -6.629 1.00 0.00 C ATOM 233 CG1 ILE A 33 -9.627 -0.400 -8.065 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.083 0.144 -5.656 1.00 0.00 C ATOM 235 CD1 ILE A 33 -9.892 1.043 -8.433 1.00 0.00 C ATOM 0 H ILE A 33 -6.470 -1.612 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.439 0.376 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.258 -1.646 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.866 -0.801 -8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -10.535 -0.979 -8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.112 -0.190 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.767 -0.061 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.021 1.215 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.212 1.100 -9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.675 1.444 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.980 1.626 -8.301 1.00 0.00 H new ATOM 247 N LYS A 34 -8.066 1.756 -5.305 1.00 0.00 N ATOM 248 CA LYS A 34 -7.928 2.651 -4.178 1.00 0.00 C ATOM 249 C LYS A 34 -8.698 1.931 -3.078 1.00 0.00 C ATOM 250 O LYS A 34 -9.861 1.581 -3.278 1.00 0.00 O ATOM 251 CB LYS A 34 -8.530 4.028 -4.473 1.00 0.00 C ATOM 252 CG LYS A 34 -7.644 4.909 -5.337 1.00 0.00 C ATOM 253 CD LYS A 34 -8.468 5.808 -6.247 1.00 0.00 C ATOM 254 CE LYS A 34 -8.584 7.216 -5.684 1.00 0.00 C ATOM 255 NZ LYS A 34 -9.647 7.313 -4.645 1.00 0.00 N ATOM 0 H LYS A 34 -8.735 2.052 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.889 2.852 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.491 3.896 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.726 4.539 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.006 5.521 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.986 4.284 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.008 5.847 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.464 5.383 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.628 7.515 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.802 7.914 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.694 8.288 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.564 7.052 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.426 6.666 -3.861 1.00 0.00 H new ATOM 269 N GLY A 35 -8.055 1.619 -1.967 1.00 0.00 N ATOM 270 CA GLY A 35 -8.740 0.833 -0.962 1.00 0.00 C ATOM 271 C GLY A 35 -8.426 1.169 0.471 1.00 0.00 C ATOM 272 O GLY A 35 -7.585 2.026 0.775 1.00 0.00 O ATOM 0 H GLY A 35 -7.096 1.886 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.814 0.944 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.502 -0.218 -1.128 1.00 0.00 H new ATOM 276 N GLU A 36 -9.121 0.462 1.353 1.00 0.00 N ATOM 277 CA GLU A 36 -8.954 0.637 2.793 1.00 0.00 C ATOM 278 C GLU A 36 -8.079 -0.469 3.373 1.00 0.00 C ATOM 279 O GLU A 36 -8.116 -1.613 2.892 1.00 0.00 O ATOM 280 CB GLU A 36 -10.317 0.643 3.489 1.00 0.00 C ATOM 281 CG GLU A 36 -10.976 2.011 3.524 1.00 0.00 C ATOM 282 CD GLU A 36 -11.552 2.346 4.887 1.00 0.00 C ATOM 283 OE1 GLU A 36 -12.283 1.500 5.445 1.00 0.00 O ATOM 284 OE2 GLU A 36 -11.273 3.451 5.395 1.00 0.00 O ATOM 0 H GLU A 36 -9.811 -0.243 1.095 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.463 1.595 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.979 -0.057 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.196 0.281 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.245 2.770 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.771 2.047 2.779 1.00 0.00 H new ATOM 291 N VAL A 37 -7.277 -0.127 4.395 1.00 0.00 N ATOM 292 CA VAL A 37 -6.385 -1.112 5.010 1.00 0.00 C ATOM 293 C VAL A 37 -6.600 -1.265 6.511 1.00 0.00 C ATOM 294 O VAL A 37 -6.558 -0.294 7.265 1.00 0.00 O ATOM 295 CB VAL A 37 -4.915 -0.751 4.775 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.493 -1.125 3.366 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.695 0.727 5.042 1.00 0.00 C ATOM 0 H VAL A 37 -7.230 0.807 4.803 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.630 -2.058 4.528 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.294 -1.319 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.446 -0.861 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.621 -2.198 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.109 -0.585 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.647 0.975 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.320 1.315 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.959 0.953 6.075 1.00 0.00 H new ATOM 307 N VAL A 38 -6.789 -2.511 6.931 1.00 0.00 N ATOM 308 CA VAL A 38 -6.974 -2.841 8.338 1.00 0.00 C ATOM 309 C VAL A 38 -5.993 -3.937 8.760 1.00 0.00 C ATOM 310 O VAL A 38 -5.846 -4.945 8.070 1.00 0.00 O ATOM 311 CB VAL A 38 -8.412 -3.312 8.626 1.00 0.00 C ATOM 312 CG1 VAL A 38 -8.619 -3.518 10.119 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.422 -2.317 8.072 1.00 0.00 C ATOM 0 H VAL A 38 -6.818 -3.318 6.308 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.785 -1.934 8.912 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.567 -4.268 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.641 -3.851 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.921 -4.272 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.444 -2.579 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.432 -2.667 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.269 -1.344 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.289 -2.226 6.994 1.00 0.00 H new ATOM 323 N ASP A 39 -5.315 -3.737 9.885 1.00 0.00 N ATOM 324 CA ASP A 39 -4.350 -4.713 10.378 1.00 0.00 C ATOM 325 C ASP A 39 -5.004 -5.666 11.375 1.00 0.00 C ATOM 326 O ASP A 39 -5.315 -5.283 12.503 1.00 0.00 O ATOM 327 CB ASP A 39 -3.167 -4.003 11.037 1.00 0.00 C ATOM 328 CG ASP A 39 -2.374 -3.165 10.053 1.00 0.00 C ATOM 329 OD1 ASP A 39 -2.843 -2.064 9.697 1.00 0.00 O ATOM 330 OD2 ASP A 39 -1.283 -3.610 9.638 1.00 0.00 O ATOM 0 H ASP A 39 -5.416 -2.909 10.472 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.990 -5.293 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.532 -3.365 11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.509 -4.744 11.491 1.00 0.00 H new ATOM 335 N GLU A 40 -5.211 -6.907 10.950 1.00 0.00 N ATOM 336 CA GLU A 40 -5.829 -7.917 11.802 1.00 0.00 C ATOM 337 C GLU A 40 -5.020 -8.123 13.079 1.00 0.00 C ATOM 338 O GLU A 40 -4.097 -8.939 13.116 1.00 0.00 O ATOM 339 CB GLU A 40 -5.958 -9.239 11.046 1.00 0.00 C ATOM 340 CG GLU A 40 -7.177 -10.052 11.450 1.00 0.00 C ATOM 341 CD GLU A 40 -7.139 -11.467 10.908 1.00 0.00 C ATOM 342 OE1 GLU A 40 -6.027 -11.979 10.658 1.00 0.00 O ATOM 343 OE2 GLU A 40 -8.223 -12.065 10.731 1.00 0.00 O ATOM 0 H GLU A 40 -4.960 -7.239 10.019 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.823 -7.565 12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.006 -9.034 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.061 -9.835 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.243 -10.085 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.077 -9.553 11.091 1.00 0.00 H new ATOM 350 N THR A 41 -5.369 -7.380 14.124 1.00 0.00 N ATOM 351 CA THR A 41 -4.675 -7.481 15.403 1.00 0.00 C ATOM 352 C THR A 41 -3.190 -7.174 15.241 1.00 0.00 C ATOM 353 O THR A 41 -2.351 -7.722 15.953 1.00 0.00 O ATOM 354 CB THR A 41 -4.854 -8.880 15.995 1.00 0.00 C ATOM 355 OG1 THR A 41 -6.187 -9.333 15.821 1.00 0.00 O ATOM 356 CG2 THR A 41 -4.534 -8.951 17.472 1.00 0.00 C ATOM 0 H THR A 41 -6.129 -6.700 14.110 1.00 0.00 H new ATOM 0 HA THR A 41 -5.109 -6.747 16.082 1.00 0.00 H new ATOM 0 HB THR A 41 -4.149 -9.513 15.456 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.280 -10.230 16.205 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.682 -9.971 17.828 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.497 -8.657 17.634 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.192 -8.277 18.020 1.00 0.00 H new ATOM 364 N GLN A 42 -2.875 -6.294 14.296 1.00 0.00 N ATOM 365 CA GLN A 42 -1.491 -5.915 14.037 1.00 0.00 C ATOM 366 C GLN A 42 -0.652 -7.138 13.686 1.00 0.00 C ATOM 367 O GLN A 42 0.263 -7.512 14.420 1.00 0.00 O ATOM 368 CB GLN A 42 -0.897 -5.202 15.254 1.00 0.00 C ATOM 369 CG GLN A 42 0.454 -4.560 14.984 1.00 0.00 C ATOM 370 CD GLN A 42 0.356 -3.366 14.054 1.00 0.00 C ATOM 371 OE1 GLN A 42 -0.119 -3.481 12.926 1.00 0.00 O ATOM 372 NE2 GLN A 42 0.809 -2.210 14.527 1.00 0.00 N ATOM 0 H GLN A 42 -3.559 -5.831 13.698 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.479 -5.232 13.187 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.594 -4.434 15.591 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.793 -5.918 16.069 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.898 -4.245 15.928 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.124 -5.301 14.548 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.195 -2.161 15.470 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.771 -1.372 13.947 1.00 0.00 H new ATOM 381 N ASN A 43 -0.972 -7.760 12.556 1.00 0.00 N ATOM 382 CA ASN A 43 -0.246 -8.947 12.104 1.00 0.00 C ATOM 383 C ASN A 43 -0.562 -9.245 10.643 1.00 0.00 C ATOM 384 O ASN A 43 0.239 -8.958 9.755 1.00 0.00 O ATOM 385 CB ASN A 43 -0.591 -10.154 12.980 1.00 0.00 C ATOM 386 CG ASN A 43 0.639 -10.947 13.377 1.00 0.00 C ATOM 387 OD1 ASN A 43 1.327 -10.607 14.340 1.00 0.00 O ATOM 388 ND2 ASN A 43 0.922 -12.009 12.632 1.00 0.00 N ATOM 0 H ASN A 43 -1.727 -7.465 11.936 1.00 0.00 H new ATOM 0 HA ASN A 43 0.822 -8.748 12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.106 -9.813 13.878 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.282 -10.804 12.443 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.738 -12.581 12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.323 -12.253 11.843 1.00 0.00 H new ATOM 395 N THR A 44 -1.745 -9.799 10.398 1.00 0.00 N ATOM 396 CA THR A 44 -2.172 -10.101 9.041 1.00 0.00 C ATOM 397 C THR A 44 -2.723 -8.832 8.415 1.00 0.00 C ATOM 398 O THR A 44 -3.242 -7.972 9.128 1.00 0.00 O ATOM 399 CB THR A 44 -3.234 -11.201 9.038 1.00 0.00 C ATOM 400 OG1 THR A 44 -2.808 -12.312 9.806 1.00 0.00 O ATOM 401 CG2 THR A 44 -3.571 -11.704 7.651 1.00 0.00 C ATOM 0 H THR A 44 -2.421 -10.046 11.120 1.00 0.00 H new ATOM 0 HA THR A 44 -1.321 -10.462 8.463 1.00 0.00 H new ATOM 0 HB THR A 44 -4.125 -10.743 9.467 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.502 -13.004 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.330 -12.483 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.951 -10.880 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.675 -12.112 7.184 1.00 0.00 H new ATOM 409 N LEU A 45 -2.608 -8.690 7.101 1.00 0.00 N ATOM 410 CA LEU A 45 -3.104 -7.483 6.456 1.00 0.00 C ATOM 411 C LEU A 45 -4.304 -7.775 5.576 1.00 0.00 C ATOM 412 O LEU A 45 -4.226 -8.585 4.654 1.00 0.00 O ATOM 413 CB LEU A 45 -1.994 -6.835 5.621 1.00 0.00 C ATOM 414 CG LEU A 45 -1.281 -5.658 6.290 1.00 0.00 C ATOM 415 CD1 LEU A 45 -2.248 -4.509 6.532 1.00 0.00 C ATOM 416 CD2 LEU A 45 -0.624 -6.096 7.590 1.00 0.00 C ATOM 0 H LEU A 45 -2.187 -9.376 6.475 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.419 -6.794 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.254 -7.596 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.422 -6.492 4.679 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.499 -5.306 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.720 -3.683 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.661 -4.175 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.057 -4.845 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.123 -5.244 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.384 -6.480 8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.106 -6.878 7.383 1.00 0.00 H new ATOM 427 N LYS A 46 -5.403 -7.087 5.838 1.00 0.00 N ATOM 428 CA LYS A 46 -6.606 -7.250 5.039 1.00 0.00 C ATOM 429 C LYS A 46 -6.860 -5.954 4.292 1.00 0.00 C ATOM 430 O LYS A 46 -6.971 -4.893 4.905 1.00 0.00 O ATOM 431 CB LYS A 46 -7.807 -7.593 5.926 1.00 0.00 C ATOM 432 CG LYS A 46 -7.480 -8.557 7.058 1.00 0.00 C ATOM 433 CD LYS A 46 -8.500 -8.463 8.181 1.00 0.00 C ATOM 434 CE LYS A 46 -9.852 -9.014 7.753 1.00 0.00 C ATOM 435 NZ LYS A 46 -9.967 -10.474 8.017 1.00 0.00 N ATOM 0 H LYS A 46 -5.487 -6.411 6.597 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.469 -8.071 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.208 -6.672 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.592 -8.027 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.454 -9.576 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.486 -8.338 7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.139 -9.015 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.610 -7.423 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.644 -8.486 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.001 -8.825 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.640 -10.896 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.036 -10.922 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.306 -10.625 8.989 1.00 0.00 H new ATOM 449 N ILE A 47 -6.940 -6.030 2.972 1.00 0.00 N ATOM 450 CA ILE A 47 -7.154 -4.825 2.182 1.00 0.00 C ATOM 451 C ILE A 47 -8.254 -5.004 1.156 1.00 0.00 C ATOM 452 O ILE A 47 -8.406 -6.080 0.578 1.00 0.00 O ATOM 453 CB ILE A 47 -5.864 -4.406 1.459 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.658 -4.568 2.394 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.988 -2.975 0.959 1.00 0.00 C ATOM 456 CD1 ILE A 47 -3.366 -4.008 1.837 1.00 0.00 C ATOM 0 H ILE A 47 -6.862 -6.893 2.434 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.455 -4.046 2.883 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.709 -5.053 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.877 -4.075 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.519 -5.627 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.069 -2.687 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.826 -2.903 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.158 -2.308 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.562 -4.162 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.120 -4.517 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.484 -2.941 1.647 1.00 0.00 H new ATOM 468 N MET A 48 -9.021 -3.951 0.914 1.00 0.00 N ATOM 469 CA MET A 48 -10.094 -4.027 -0.074 1.00 0.00 C ATOM 470 C MET A 48 -9.917 -2.936 -1.125 1.00 0.00 C ATOM 471 O MET A 48 -9.825 -1.749 -0.767 1.00 0.00 O ATOM 472 CB MET A 48 -11.456 -3.883 0.607 1.00 0.00 C ATOM 473 CG MET A 48 -12.631 -4.016 -0.348 1.00 0.00 C ATOM 474 SD MET A 48 -14.087 -3.114 0.213 1.00 0.00 S ATOM 475 CE MET A 48 -13.981 -1.639 -0.799 1.00 0.00 C ATOM 0 H MET A 48 -8.926 -3.047 1.378 1.00 0.00 H new ATOM 0 HA MET A 48 -10.049 -5.000 -0.563 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.545 -4.640 1.387 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.506 -2.911 1.098 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.338 -3.649 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.883 -5.070 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.816 -0.978 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.043 -1.124 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.019 -1.917 -1.852 1.00 0.00 H new ATOM 485 N THR A 49 -9.852 -3.325 -2.421 1.00 0.00 N ATOM 486 CA THR A 49 -9.671 -2.355 -3.475 1.00 0.00 C ATOM 487 C THR A 49 -10.662 -2.564 -4.630 1.00 0.00 C ATOM 488 O THR A 49 -11.763 -2.015 -4.612 1.00 0.00 O ATOM 489 CB THR A 49 -8.234 -2.424 -3.973 1.00 0.00 C ATOM 490 OG1 THR A 49 -7.821 -3.770 -4.133 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.248 -1.750 -3.046 1.00 0.00 C ATOM 0 H THR A 49 -9.923 -4.292 -2.737 1.00 0.00 H new ATOM 0 HA THR A 49 -9.873 -1.364 -3.069 1.00 0.00 H new ATOM 0 HB THR A 49 -8.234 -1.895 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.126 -3.819 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.243 -1.835 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.509 -0.697 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.280 -2.231 -2.068 1.00 0.00 H new ATOM 499 N GLU A 50 -10.255 -3.324 -5.651 1.00 0.00 N ATOM 500 CA GLU A 50 -11.101 -3.549 -6.824 1.00 0.00 C ATOM 501 C GLU A 50 -12.018 -4.767 -6.678 1.00 0.00 C ATOM 502 O GLU A 50 -13.126 -4.653 -6.154 1.00 0.00 O ATOM 503 CB GLU A 50 -10.227 -3.688 -8.078 1.00 0.00 C ATOM 504 CG GLU A 50 -11.018 -3.946 -9.351 1.00 0.00 C ATOM 505 CD GLU A 50 -11.733 -2.709 -9.855 1.00 0.00 C ATOM 506 OE1 GLU A 50 -12.466 -2.082 -9.062 1.00 0.00 O ATOM 507 OE2 GLU A 50 -11.560 -2.367 -11.044 1.00 0.00 O ATOM 0 H GLU A 50 -9.349 -3.791 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.752 -2.680 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.641 -2.778 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.520 -4.504 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.344 -4.312 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.749 -4.733 -9.167 1.00 0.00 H new ATOM 514 N LYS A 51 -11.564 -5.926 -7.171 1.00 0.00 N ATOM 515 CA LYS A 51 -12.354 -7.162 -7.123 1.00 0.00 C ATOM 516 C LYS A 51 -13.133 -7.300 -5.816 1.00 0.00 C ATOM 517 O LYS A 51 -14.210 -7.895 -5.788 1.00 0.00 O ATOM 518 CB LYS A 51 -11.444 -8.375 -7.316 1.00 0.00 C ATOM 519 CG LYS A 51 -12.026 -9.429 -8.246 1.00 0.00 C ATOM 520 CD LYS A 51 -11.610 -10.833 -7.830 1.00 0.00 C ATOM 521 CE LYS A 51 -12.770 -11.602 -7.219 1.00 0.00 C ATOM 522 NZ LYS A 51 -12.934 -11.303 -5.769 1.00 0.00 N ATOM 0 H LYS A 51 -10.649 -6.033 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.080 -7.113 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.486 -8.041 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.246 -8.828 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.114 -9.356 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.695 -9.238 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.231 -11.373 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.793 -10.773 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.690 -11.351 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.607 -12.671 -7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.408 -12.102 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.000 -11.154 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.509 -10.444 -5.655 1.00 0.00 H new ATOM 536 N GLY A 52 -12.588 -6.751 -4.740 1.00 0.00 N ATOM 537 CA GLY A 52 -13.252 -6.827 -3.456 1.00 0.00 C ATOM 538 C GLY A 52 -12.277 -6.791 -2.300 1.00 0.00 C ATOM 539 O GLY A 52 -11.270 -6.074 -2.348 1.00 0.00 O ATOM 0 H GLY A 52 -11.697 -6.254 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.953 -5.997 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.837 -7.745 -3.406 1.00 0.00 H new ATOM 543 N LEU A 53 -12.574 -7.560 -1.259 1.00 0.00 N ATOM 544 CA LEU A 53 -11.720 -7.612 -0.082 1.00 0.00 C ATOM 545 C LEU A 53 -11.013 -8.961 0.022 1.00 0.00 C ATOM 546 O LEU A 53 -11.645 -10.015 -0.029 1.00 0.00 O ATOM 547 CB LEU A 53 -12.540 -7.336 1.186 1.00 0.00 C ATOM 548 CG LEU A 53 -13.162 -8.566 1.854 1.00 0.00 C ATOM 549 CD1 LEU A 53 -13.718 -8.204 3.223 1.00 0.00 C ATOM 550 CD2 LEU A 53 -14.250 -9.160 0.972 1.00 0.00 C ATOM 0 H LEU A 53 -13.400 -8.156 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.958 -6.839 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.897 -6.837 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.339 -6.638 0.935 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.383 -9.317 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.156 -9.089 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.913 -7.827 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.483 -7.436 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.680 -10.033 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.029 -8.417 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.821 -9.457 0.015 1.00 0.00 H new ATOM 562 N LYS A 54 -9.698 -8.908 0.178 1.00 0.00 N ATOM 563 CA LYS A 54 -8.888 -10.106 0.301 1.00 0.00 C ATOM 564 C LYS A 54 -7.932 -9.990 1.487 1.00 0.00 C ATOM 565 O LYS A 54 -7.472 -8.896 1.829 1.00 0.00 O ATOM 566 CB LYS A 54 -8.098 -10.352 -0.986 1.00 0.00 C ATOM 567 CG LYS A 54 -7.886 -11.824 -1.299 1.00 0.00 C ATOM 568 CD LYS A 54 -9.202 -12.533 -1.572 1.00 0.00 C ATOM 569 CE LYS A 54 -9.400 -12.794 -3.057 1.00 0.00 C ATOM 570 NZ LYS A 54 -10.776 -12.442 -3.504 1.00 0.00 N ATOM 0 H LYS A 54 -9.167 -8.038 0.222 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.555 -10.951 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.622 -9.884 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.127 -9.863 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.233 -11.922 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.380 -12.305 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.226 -13.478 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.027 -11.928 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.674 -12.215 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.207 -13.845 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.870 -12.634 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.468 -13.013 -2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.952 -11.433 -3.325 1.00 0.00 H new ATOM 584 N VAL A 55 -7.637 -11.130 2.109 1.00 0.00 N ATOM 585 CA VAL A 55 -6.738 -11.165 3.255 1.00 0.00 C ATOM 586 C VAL A 55 -5.473 -11.957 2.944 1.00 0.00 C ATOM 587 O VAL A 55 -5.533 -13.112 2.519 1.00 0.00 O ATOM 588 CB VAL A 55 -7.415 -11.775 4.494 1.00 0.00 C ATOM 589 CG1 VAL A 55 -8.601 -10.929 4.929 1.00 0.00 C ATOM 590 CG2 VAL A 55 -7.844 -13.209 4.222 1.00 0.00 C ATOM 0 H VAL A 55 -8.009 -12.040 1.837 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.474 -10.129 3.470 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.690 -11.787 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.066 -11.378 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.260 -9.923 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.329 -10.879 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.320 -13.621 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.550 -13.226 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.970 -13.808 3.968 1.00 0.00 H new ATOM 600 N VAL A 56 -4.334 -11.322 3.167 1.00 0.00 N ATOM 601 CA VAL A 56 -3.040 -11.940 2.921 1.00 0.00 C ATOM 602 C VAL A 56 -2.114 -11.809 4.133 1.00 0.00 C ATOM 603 O VAL A 56 -2.064 -10.764 4.797 1.00 0.00 O ATOM 604 CB VAL A 56 -2.346 -11.319 1.693 1.00 0.00 C ATOM 605 CG1 VAL A 56 -2.793 -12.018 0.419 1.00 0.00 C ATOM 606 CG2 VAL A 56 -2.620 -9.825 1.614 1.00 0.00 C ATOM 0 H VAL A 56 -4.279 -10.367 3.522 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.232 -12.996 2.731 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.270 -11.458 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.293 -11.567 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.535 -13.076 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.872 -11.914 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.120 -9.409 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.694 -9.656 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.243 -9.338 2.513 1.00 0.00 H new ATOM 616 N ALA A 57 -1.376 -12.880 4.405 1.00 0.00 N ATOM 617 CA ALA A 57 -0.437 -12.911 5.516 1.00 0.00 C ATOM 618 C ALA A 57 0.962 -13.282 5.029 1.00 0.00 C ATOM 619 O ALA A 57 1.152 -14.314 4.388 1.00 0.00 O ATOM 620 CB ALA A 57 -0.907 -13.890 6.580 1.00 0.00 C ATOM 0 H ALA A 57 -1.412 -13.744 3.865 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.393 -11.915 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.194 -13.902 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.885 -13.583 6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.980 -14.889 6.149 1.00 0.00 H new ATOM 626 N LYS A 58 1.939 -12.436 5.334 1.00 0.00 N ATOM 627 CA LYS A 58 3.319 -12.684 4.928 1.00 0.00 C ATOM 628 C LYS A 58 3.441 -12.813 3.409 1.00 0.00 C ATOM 629 O LYS A 58 2.971 -13.786 2.817 1.00 0.00 O ATOM 630 CB LYS A 58 3.844 -13.954 5.604 1.00 0.00 C ATOM 631 CG LYS A 58 5.220 -14.385 5.120 1.00 0.00 C ATOM 632 CD LYS A 58 5.738 -15.583 5.901 1.00 0.00 C ATOM 633 CE LYS A 58 4.900 -16.825 5.641 1.00 0.00 C ATOM 634 NZ LYS A 58 5.747 -18.025 5.394 1.00 0.00 N ATOM 0 H LYS A 58 1.802 -11.573 5.860 1.00 0.00 H new ATOM 0 HA LYS A 58 3.919 -11.830 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.883 -13.791 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.137 -14.765 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.172 -14.634 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.919 -13.554 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.774 -15.778 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.730 -15.354 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.250 -17.010 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.254 -16.653 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.138 -18.850 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.350 -17.859 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.345 -18.205 6.225 1.00 0.00 H new ATOM 648 N ARG A 59 4.092 -11.832 2.788 1.00 0.00 N ATOM 649 CA ARG A 59 4.300 -11.836 1.340 1.00 0.00 C ATOM 650 C ARG A 59 2.986 -12.011 0.581 1.00 0.00 C ATOM 651 O ARG A 59 1.932 -12.228 1.176 1.00 0.00 O ATOM 652 CB ARG A 59 5.277 -12.950 0.952 1.00 0.00 C ATOM 653 CG ARG A 59 6.651 -12.442 0.540 1.00 0.00 C ATOM 654 CD ARG A 59 7.035 -12.920 -0.852 1.00 0.00 C ATOM 655 NE ARG A 59 8.086 -13.934 -0.811 1.00 0.00 N ATOM 656 CZ ARG A 59 8.853 -14.250 -1.853 1.00 0.00 C ATOM 657 NH1 ARG A 59 8.687 -13.638 -3.019 1.00 0.00 N ATOM 658 NH2 ARG A 59 9.787 -15.183 -1.728 1.00 0.00 N ATOM 0 H ARG A 59 4.486 -11.021 3.266 1.00 0.00 H new ATOM 0 HA ARG A 59 4.720 -10.869 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.389 -13.633 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.851 -13.525 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.658 -11.352 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.395 -12.783 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.156 -13.329 -1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.373 -12.071 -1.447 1.00 0.00 H new ATOM 0 HE ARG A 59 8.242 -14.429 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.969 -12.921 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.278 -13.885 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.917 -15.658 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.375 -15.426 -2.525 1.00 0.00 H new ATOM 672 N GLY A 60 3.069 -11.921 -0.745 1.00 0.00 N ATOM 673 CA GLY A 60 1.891 -12.077 -1.584 1.00 0.00 C ATOM 674 C GLY A 60 0.991 -10.858 -1.574 1.00 0.00 C ATOM 675 O GLY A 60 -0.225 -10.981 -1.419 1.00 0.00 O ATOM 0 H GLY A 60 3.934 -11.742 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.205 -12.281 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.323 -12.944 -1.246 1.00 0.00 H new ATOM 679 N ARG A 61 1.582 -9.675 -1.740 1.00 0.00 N ATOM 680 CA ARG A 61 0.815 -8.429 -1.747 1.00 0.00 C ATOM 681 C ARG A 61 1.737 -7.214 -1.709 1.00 0.00 C ATOM 682 O ARG A 61 2.580 -7.091 -0.816 1.00 0.00 O ATOM 683 CB ARG A 61 -0.145 -8.379 -0.551 1.00 0.00 C ATOM 684 CG ARG A 61 0.391 -9.077 0.693 1.00 0.00 C ATOM 685 CD ARG A 61 0.150 -8.257 1.951 1.00 0.00 C ATOM 686 NE ARG A 61 1.405 -7.856 2.588 1.00 0.00 N ATOM 687 CZ ARG A 61 1.668 -8.004 3.887 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.769 -8.538 4.705 1.00 0.00 N ATOM 689 NH2 ARG A 61 2.838 -7.612 4.371 1.00 0.00 N ATOM 0 H ARG A 61 2.586 -9.553 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 61 0.240 -8.403 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.357 -7.337 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.091 -8.839 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.087 -10.051 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.460 -9.257 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.430 -7.369 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.445 -8.838 2.655 1.00 0.00 H new ATOM 0 HE ARG A 61 2.125 -7.436 2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.135 -8.840 4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.982 -8.646 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.534 -7.199 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.042 -7.724 5.364 1.00 0.00 H new ATOM 703 N THR A 62 1.562 -6.303 -2.664 1.00 0.00 N ATOM 704 CA THR A 62 2.371 -5.092 -2.710 1.00 0.00 C ATOM 705 C THR A 62 1.475 -3.857 -2.712 1.00 0.00 C ATOM 706 O THR A 62 0.603 -3.704 -3.579 1.00 0.00 O ATOM 707 CB THR A 62 3.262 -5.094 -3.954 1.00 0.00 C ATOM 708 OG1 THR A 62 4.085 -6.248 -3.979 1.00 0.00 O ATOM 709 CG2 THR A 62 4.168 -3.884 -4.045 1.00 0.00 C ATOM 0 H THR A 62 0.872 -6.381 -3.411 1.00 0.00 H new ATOM 0 HA THR A 62 3.005 -5.066 -1.824 1.00 0.00 H new ATOM 0 HB THR A 62 2.575 -5.078 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.646 -6.232 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.772 -3.949 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.563 -2.978 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.822 -3.853 -3.174 1.00 0.00 H new ATOM 717 N PHE A 63 1.679 -2.966 -1.751 1.00 0.00 N ATOM 718 CA PHE A 63 0.870 -1.759 -1.679 1.00 0.00 C ATOM 719 C PHE A 63 1.694 -0.542 -1.198 1.00 0.00 C ATOM 720 O PHE A 63 2.856 -0.670 -0.776 1.00 0.00 O ATOM 721 CB PHE A 63 -0.322 -1.973 -0.738 1.00 0.00 C ATOM 722 CG PHE A 63 -0.009 -2.784 0.490 1.00 0.00 C ATOM 723 CD1 PHE A 63 0.347 -4.120 0.385 1.00 0.00 C ATOM 724 CD2 PHE A 63 -0.076 -2.211 1.748 1.00 0.00 C ATOM 725 CE1 PHE A 63 0.631 -4.865 1.512 1.00 0.00 C ATOM 726 CE2 PHE A 63 0.207 -2.952 2.881 1.00 0.00 C ATOM 727 CZ PHE A 63 0.561 -4.282 2.763 1.00 0.00 C ATOM 0 H PHE A 63 2.386 -3.054 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 63 0.511 -1.549 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.703 -1.000 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.121 -2.467 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.403 -4.583 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.353 -1.172 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.908 -5.904 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.151 -2.492 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.782 -4.864 3.645 1.00 0.00 H new ATOM 737 N ARG A 64 1.062 0.626 -1.218 1.00 0.00 N ATOM 738 CA ARG A 64 1.661 1.878 -0.746 1.00 0.00 C ATOM 739 C ARG A 64 0.725 2.455 0.313 1.00 0.00 C ATOM 740 O ARG A 64 -0.467 2.613 0.056 1.00 0.00 O ATOM 741 CB ARG A 64 1.840 2.866 -1.900 1.00 0.00 C ATOM 742 CG ARG A 64 3.066 3.754 -1.756 1.00 0.00 C ATOM 743 CD ARG A 64 2.724 5.223 -1.952 1.00 0.00 C ATOM 744 NE ARG A 64 2.412 5.531 -3.346 1.00 0.00 N ATOM 745 CZ ARG A 64 2.329 6.769 -3.831 1.00 0.00 C ATOM 746 NH1 ARG A 64 2.532 7.815 -3.040 1.00 0.00 N ATOM 747 NH2 ARG A 64 2.041 6.960 -5.110 1.00 0.00 N ATOM 0 H ARG A 64 0.109 0.736 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 64 2.650 1.692 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.912 2.311 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.952 3.495 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.504 3.611 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.819 3.455 -2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.872 5.484 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.562 5.837 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 64 2.248 4.753 -3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.753 7.674 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.467 8.760 -3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.883 6.160 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.977 7.907 -5.482 1.00 0.00 H new ATOM 761 N VAL A 65 1.234 2.719 1.512 1.00 0.00 N ATOM 762 CA VAL A 65 0.372 3.195 2.594 1.00 0.00 C ATOM 763 C VAL A 65 0.477 4.682 2.918 1.00 0.00 C ATOM 764 O VAL A 65 1.559 5.272 2.952 1.00 0.00 O ATOM 765 CB VAL A 65 0.628 2.394 3.886 1.00 0.00 C ATOM 766 CG1 VAL A 65 2.073 2.548 4.334 1.00 0.00 C ATOM 767 CG2 VAL A 65 -0.328 2.828 4.991 1.00 0.00 C ATOM 0 H VAL A 65 2.218 2.615 1.759 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.637 3.036 2.213 1.00 0.00 H new ATOM 0 HB VAL A 65 0.445 1.340 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.234 1.975 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.737 2.179 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.285 3.600 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.129 2.249 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.184 3.888 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.356 2.658 4.671 1.00 0.00 H new ATOM 777 N TRP A 66 -0.697 5.242 3.214 1.00 0.00 N ATOM 778 CA TRP A 66 -0.866 6.630 3.608 1.00 0.00 C ATOM 779 C TRP A 66 -1.590 6.701 4.958 1.00 0.00 C ATOM 780 O TRP A 66 -2.701 6.171 5.123 1.00 0.00 O ATOM 781 CB TRP A 66 -1.691 7.411 2.582 1.00 0.00 C ATOM 782 CG TRP A 66 -1.350 7.137 1.151 1.00 0.00 C ATOM 783 CD1 TRP A 66 -0.165 7.393 0.522 1.00 0.00 C ATOM 784 CD2 TRP A 66 -2.220 6.582 0.158 1.00 0.00 C ATOM 785 NE1 TRP A 66 -0.246 7.032 -0.801 1.00 0.00 N ATOM 786 CE2 TRP A 66 -1.498 6.530 -1.047 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.541 6.120 0.172 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -2.053 6.040 -2.225 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -4.090 5.634 -0.995 1.00 0.00 C ATOM 790 CH2 TRP A 66 -3.349 5.598 -2.179 1.00 0.00 C ATOM 0 H TRP A 66 -1.575 4.724 3.184 1.00 0.00 H new ATOM 0 HA TRP A 66 0.128 7.073 3.676 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.746 7.183 2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.563 8.477 2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 66 0.708 7.817 0.995 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.503 7.123 -1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.121 6.144 1.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -1.483 6.009 -3.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -5.109 5.275 -0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.808 5.213 -3.078 1.00 0.00 H new ATOM 801 N TYR A 67 -0.951 7.377 5.911 1.00 0.00 N ATOM 802 CA TYR A 67 -1.505 7.557 7.245 1.00 0.00 C ATOM 803 C TYR A 67 -1.785 9.032 7.496 1.00 0.00 C ATOM 804 O TYR A 67 -1.454 9.882 6.671 1.00 0.00 O ATOM 805 CB TYR A 67 -0.533 7.039 8.310 1.00 0.00 C ATOM 806 CG TYR A 67 -0.098 5.605 8.114 1.00 0.00 C ATOM 807 CD1 TYR A 67 -0.944 4.552 8.437 1.00 0.00 C ATOM 808 CD2 TYR A 67 1.164 5.305 7.618 1.00 0.00 C ATOM 809 CE1 TYR A 67 -0.545 3.240 8.270 1.00 0.00 C ATOM 810 CE2 TYR A 67 1.570 3.995 7.446 1.00 0.00 C ATOM 811 CZ TYR A 67 0.712 2.967 7.774 1.00 0.00 C ATOM 812 OH TYR A 67 1.113 1.661 7.606 1.00 0.00 O ATOM 0 H TYR A 67 -0.038 7.813 5.778 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.434 6.990 7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.351 7.676 8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.002 7.133 9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.930 4.762 8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.839 6.108 7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.214 2.432 8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.554 3.778 7.057 1.00 0.00 H new ATOM 0 HH TYR A 67 0.325 1.079 7.572 1.00 0.00 H new ATOM 822 N LYS A 68 -2.380 9.334 8.641 1.00 0.00 N ATOM 823 CA LYS A 68 -2.680 10.715 8.995 1.00 0.00 C ATOM 824 C LYS A 68 -1.429 11.414 9.525 1.00 0.00 C ATOM 825 O LYS A 68 -1.424 11.942 10.637 1.00 0.00 O ATOM 826 CB LYS A 68 -3.803 10.763 10.037 1.00 0.00 C ATOM 827 CG LYS A 68 -4.920 11.732 9.680 1.00 0.00 C ATOM 828 CD LYS A 68 -4.932 12.940 10.604 1.00 0.00 C ATOM 829 CE LYS A 68 -5.346 14.202 9.865 1.00 0.00 C ATOM 830 NZ LYS A 68 -4.171 15.043 9.500 1.00 0.00 N ATOM 0 H LYS A 68 -2.664 8.646 9.338 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.014 11.240 8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.223 9.764 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.381 11.046 11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.799 12.064 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.880 11.219 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.618 12.760 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.941 13.079 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.893 13.931 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.027 14.781 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.496 15.894 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.663 15.323 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.533 14.500 8.884 1.00 0.00 H new ATOM 844 N GLY A 69 -0.365 11.412 8.721 1.00 0.00 N ATOM 845 CA GLY A 69 0.873 12.045 9.136 1.00 0.00 C ATOM 846 C GLY A 69 1.993 11.879 8.122 1.00 0.00 C ATOM 847 O GLY A 69 2.614 12.861 7.716 1.00 0.00 O ATOM 0 H GLY A 69 -0.341 10.985 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.694 13.107 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.189 11.623 10.090 1.00 0.00 H new ATOM 851 N LYS A 70 2.263 10.637 7.720 1.00 0.00 N ATOM 852 CA LYS A 70 3.329 10.366 6.759 1.00 0.00 C ATOM 853 C LYS A 70 2.945 9.248 5.789 1.00 0.00 C ATOM 854 O LYS A 70 1.978 8.512 6.018 1.00 0.00 O ATOM 855 CB LYS A 70 4.617 9.993 7.495 1.00 0.00 C ATOM 856 CG LYS A 70 5.867 10.608 6.889 1.00 0.00 C ATOM 857 CD LYS A 70 5.776 12.125 6.839 1.00 0.00 C ATOM 858 CE LYS A 70 5.724 12.637 5.408 1.00 0.00 C ATOM 859 NZ LYS A 70 4.727 13.731 5.248 1.00 0.00 N ATOM 0 H LYS A 70 1.762 9.809 8.043 1.00 0.00 H new ATOM 0 HA LYS A 70 3.489 11.274 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.535 10.309 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.722 8.908 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.738 10.314 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.013 10.218 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.887 12.454 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.636 12.558 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.710 12.998 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.473 11.816 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.445 13.801 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.890 13.526 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.148 14.632 5.552 1.00 0.00 H new ATOM 873 N ILE A 71 3.710 9.129 4.704 1.00 0.00 N ATOM 874 CA ILE A 71 3.462 8.107 3.692 1.00 0.00 C ATOM 875 C ILE A 71 4.723 7.287 3.409 1.00 0.00 C ATOM 876 O ILE A 71 5.810 7.840 3.244 1.00 0.00 O ATOM 877 CB ILE A 71 2.964 8.738 2.378 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.009 9.709 1.823 1.00 0.00 C ATOM 879 CG2 ILE A 71 1.638 9.449 2.601 1.00 0.00 C ATOM 880 CD1 ILE A 71 3.592 10.369 0.525 1.00 0.00 C ATOM 0 H ILE A 71 4.509 9.731 4.505 1.00 0.00 H new ATOM 0 HA ILE A 71 2.691 7.447 4.088 1.00 0.00 H new ATOM 0 HB ILE A 71 2.810 7.944 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.207 10.481 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.944 9.172 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.299 9.890 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.896 8.733 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.767 10.235 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.380 11.044 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.422 9.605 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.673 10.934 0.683 1.00 0.00 H new ATOM 892 N MET A 72 4.570 5.966 3.344 1.00 0.00 N ATOM 893 CA MET A 72 5.697 5.075 3.073 1.00 0.00 C ATOM 894 C MET A 72 5.280 3.929 2.147 1.00 0.00 C ATOM 895 O MET A 72 4.092 3.719 1.904 1.00 0.00 O ATOM 896 CB MET A 72 6.254 4.512 4.381 1.00 0.00 C ATOM 897 CG MET A 72 6.802 5.577 5.316 1.00 0.00 C ATOM 898 SD MET A 72 8.483 6.075 4.890 1.00 0.00 S ATOM 899 CE MET A 72 8.624 7.607 5.808 1.00 0.00 C ATOM 0 H MET A 72 3.678 5.489 3.475 1.00 0.00 H new ATOM 0 HA MET A 72 6.473 5.655 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.466 3.960 4.894 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.046 3.799 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.150 6.450 5.288 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.787 5.200 6.339 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.612 8.038 5.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.862 8.307 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.484 7.409 6.871 1.00 0.00 H new ATOM 909 N ARG A 73 6.260 3.188 1.636 1.00 0.00 N ATOM 910 CA ARG A 73 5.984 2.062 0.743 1.00 0.00 C ATOM 911 C ARG A 73 6.102 0.741 1.498 1.00 0.00 C ATOM 912 O ARG A 73 7.096 0.504 2.185 1.00 0.00 O ATOM 913 CB ARG A 73 6.950 2.075 -0.443 1.00 0.00 C ATOM 914 CG ARG A 73 6.451 2.886 -1.628 1.00 0.00 C ATOM 915 CD ARG A 73 7.605 3.509 -2.397 1.00 0.00 C ATOM 916 NE ARG A 73 7.166 4.628 -3.229 1.00 0.00 N ATOM 917 CZ ARG A 73 6.606 4.487 -4.429 1.00 0.00 C ATOM 918 NH1 ARG A 73 6.413 3.277 -4.941 1.00 0.00 N ATOM 919 NH2 ARG A 73 6.239 5.559 -5.118 1.00 0.00 N ATOM 0 H ARG A 73 7.250 3.345 1.823 1.00 0.00 H new ATOM 0 HA ARG A 73 4.965 2.162 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.908 2.478 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.129 1.049 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.873 2.244 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.779 3.670 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.364 3.855 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.073 2.751 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 73 7.296 5.573 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.694 2.450 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.984 3.175 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.386 6.490 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.810 5.452 -6.037 1.00 0.00 H new ATOM 933 N ILE A 74 5.092 -0.120 1.374 1.00 0.00 N ATOM 934 CA ILE A 74 5.115 -1.405 2.065 1.00 0.00 C ATOM 935 C ILE A 74 4.930 -2.572 1.098 1.00 0.00 C ATOM 936 O ILE A 74 3.949 -2.633 0.357 1.00 0.00 O ATOM 937 CB ILE A 74 4.025 -1.469 3.154 1.00 0.00 C ATOM 938 CG1 ILE A 74 4.099 -2.799 3.912 1.00 0.00 C ATOM 939 CG2 ILE A 74 2.650 -1.276 2.536 1.00 0.00 C ATOM 940 CD1 ILE A 74 4.008 -2.645 5.414 1.00 0.00 C ATOM 0 H ILE A 74 4.259 0.047 0.809 1.00 0.00 H new ATOM 0 HA ILE A 74 6.096 -1.492 2.531 1.00 0.00 H new ATOM 0 HB ILE A 74 4.198 -0.663 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.291 -3.447 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.035 -3.299 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.890 -1.324 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.605 -0.304 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.467 -2.062 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.067 -3.626 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.831 -2.023 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.060 -2.174 5.675 1.00 0.00 H new ATOM 952 N LYS A 75 5.875 -3.503 1.125 1.00 0.00 N ATOM 953 CA LYS A 75 5.820 -4.679 0.267 1.00 0.00 C ATOM 954 C LYS A 75 6.024 -5.949 1.086 1.00 0.00 C ATOM 955 O LYS A 75 6.850 -5.983 1.997 1.00 0.00 O ATOM 956 CB LYS A 75 6.880 -4.588 -0.831 1.00 0.00 C ATOM 957 CG LYS A 75 8.301 -4.507 -0.298 1.00 0.00 C ATOM 958 CD LYS A 75 9.326 -4.678 -1.411 1.00 0.00 C ATOM 959 CE LYS A 75 10.146 -3.416 -1.620 1.00 0.00 C ATOM 960 NZ LYS A 75 10.353 -3.121 -3.064 1.00 0.00 N ATOM 0 H LYS A 75 6.692 -3.466 1.735 1.00 0.00 H new ATOM 0 HA LYS A 75 4.835 -4.718 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.794 -5.459 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.680 -3.710 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.452 -3.545 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.451 -5.278 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.990 -5.508 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.816 -4.938 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.643 -2.573 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.113 -3.526 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.917 -2.253 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.856 -3.914 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.431 -2.990 -3.527 1.00 0.00 H new ATOM 974 N GLY A 76 5.269 -6.992 0.761 1.00 0.00 N ATOM 975 CA GLY A 76 5.394 -8.244 1.482 1.00 0.00 C ATOM 976 C GLY A 76 6.670 -8.981 1.125 1.00 0.00 C ATOM 977 O GLY A 76 6.930 -9.246 -0.047 1.00 0.00 O ATOM 0 H GLY A 76 4.575 -6.993 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.377 -8.048 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.535 -8.877 1.260 1.00 0.00 H new ATOM 981 N ASP A 77 7.470 -9.308 2.136 1.00 0.00 N ATOM 982 CA ASP A 77 8.726 -10.014 1.913 1.00 0.00 C ATOM 983 C ASP A 77 9.276 -10.586 3.217 1.00 0.00 C ATOM 984 O ASP A 77 10.464 -10.457 3.512 1.00 0.00 O ATOM 985 CB ASP A 77 9.754 -9.072 1.281 1.00 0.00 C ATOM 986 CG ASP A 77 10.787 -9.811 0.452 1.00 0.00 C ATOM 987 OD1 ASP A 77 10.924 -11.039 0.634 1.00 0.00 O ATOM 988 OD2 ASP A 77 11.457 -9.161 -0.377 1.00 0.00 O ATOM 0 H ASP A 77 7.271 -9.096 3.114 1.00 0.00 H new ATOM 0 HA ASP A 77 8.531 -10.843 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.239 -8.347 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.258 -8.510 2.067 1.00 0.00 H new TER 993 ASP A 77