USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1106 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 68 THR OG1 : rot -42:sc= -5.26! USER MOD Set 1.2: A 80 GLN : amide:sc= 0 K(o=-5.3,f=-5.8) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.717 K(o=-0.64,f=-1.9!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.0777 K(o=-0.64,f=-3.2) USER MOD Set 3.1: A 42 GLN : amide:sc= -0.271 X(o=-0.69,f=-0.31) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.421 X(o=-0.69,f=-0.31) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc=-0.00367 (180deg=-0.0564) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 23 LYS NZ :NH3+ -104:sc= -0.0611 (180deg=-1.44!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 130:sc= -0.0398 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.0163 X(o=0.016,f=0) USER MOD Single : A 39 THR OG1 : rot 151:sc= 0.35 USER MOD Single : A 56 GLN : amide:sc= -0.732 K(o=-0.73,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= -0.0188 (180deg=-0.19) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 51:sc= 1.15 USER MOD Single : A 85 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-9.8!) USER MOD Single : A 89 ASN : amide:sc= -2.85! C(o=-2.8!,f=-6.4!) USER MOD Single : A 95 TYR OH : rot -71:sc= 0.883 USER MOD Single : A 97 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.8!) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= 1.07 (180deg=0.328) USER MOD Single : A 103 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 106 ASN : amide:sc= -2.94 K(o=-2.9,f=-0.72) USER MOD Single : A 110 THR OG1 : rot -100:sc= -1.59 USER MOD Single : A 119 SER OG : rot 168:sc= -1.63 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.979) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.643 2.154 -21.554 1.00 0.00 N ATOM 2 CA MET A 1 -9.899 0.769 -22.034 1.00 0.00 C ATOM 3 C MET A 1 -8.679 0.179 -22.743 1.00 0.00 C ATOM 4 O MET A 1 -8.821 -0.569 -23.711 1.00 0.00 O ATOM 5 CB MET A 1 -11.087 0.804 -22.998 1.00 0.00 C ATOM 6 CG MET A 1 -12.429 0.995 -22.310 1.00 0.00 C ATOM 7 SD MET A 1 -13.767 0.132 -23.157 1.00 0.00 S ATOM 8 CE MET A 1 -14.676 -0.529 -21.763 1.00 0.00 C ATOM 0 H1 MET A 1 -10.526 2.563 -21.186 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.929 2.133 -20.798 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.295 2.736 -22.343 1.00 0.00 H new ATOM 0 HA MET A 1 -10.115 0.135 -21.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.938 1.612 -23.714 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.109 -0.126 -23.566 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.362 0.636 -21.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.661 2.059 -22.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.537 -1.091 -22.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.028 -1.188 -21.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.017 0.290 -21.130 1.00 0.00 H new ATOM 18 N ASP A 2 -7.484 0.510 -22.262 1.00 0.00 N ATOM 19 CA ASP A 2 -6.257 0.000 -22.865 1.00 0.00 C ATOM 20 C ASP A 2 -6.156 -1.511 -22.690 1.00 0.00 C ATOM 21 O ASP A 2 -6.909 -2.109 -21.921 1.00 0.00 O ATOM 22 CB ASP A 2 -5.034 0.680 -22.246 1.00 0.00 C ATOM 23 CG ASP A 2 -5.149 2.192 -22.240 1.00 0.00 C ATOM 24 OD1 ASP A 2 -6.009 2.719 -21.504 1.00 0.00 O ATOM 25 OD2 ASP A 2 -4.377 2.849 -22.970 1.00 0.00 O ATOM 0 H ASP A 2 -7.340 1.125 -21.461 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.285 0.225 -23.931 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.904 0.325 -21.224 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.142 0.389 -22.800 1.00 0.00 H new ATOM 30 N ASP A 3 -5.221 -2.124 -23.409 1.00 0.00 N ATOM 31 CA ASP A 3 -5.022 -3.567 -23.331 1.00 0.00 C ATOM 32 C ASP A 3 -4.543 -3.973 -21.940 1.00 0.00 C ATOM 33 O ASP A 3 -4.473 -3.145 -21.032 1.00 0.00 O ATOM 34 CB ASP A 3 -4.013 -4.020 -24.388 1.00 0.00 C ATOM 35 CG ASP A 3 -4.545 -3.870 -25.800 1.00 0.00 C ATOM 36 OD1 ASP A 3 -5.381 -2.970 -26.027 1.00 0.00 O ATOM 37 OD2 ASP A 3 -4.125 -4.651 -26.680 1.00 0.00 O ATOM 0 H ASP A 3 -4.590 -1.645 -24.051 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.978 -4.055 -23.522 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.097 -3.438 -24.284 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.750 -5.063 -24.211 1.00 0.00 H new ATOM 42 N TYR A 4 -4.219 -5.251 -21.777 1.00 0.00 N ATOM 43 CA TYR A 4 -3.750 -5.764 -20.495 1.00 0.00 C ATOM 44 C TYR A 4 -2.307 -5.344 -20.232 1.00 0.00 C ATOM 45 O TYR A 4 -1.438 -5.501 -21.090 1.00 0.00 O ATOM 46 CB TYR A 4 -3.863 -7.289 -20.459 1.00 0.00 C ATOM 47 CG TYR A 4 -5.144 -7.784 -19.829 1.00 0.00 C ATOM 48 CD1 TYR A 4 -6.380 -7.412 -20.338 1.00 0.00 C ATOM 49 CD2 TYR A 4 -5.116 -8.623 -18.721 1.00 0.00 C ATOM 50 CE1 TYR A 4 -7.555 -7.860 -19.764 1.00 0.00 C ATOM 51 CE2 TYR A 4 -6.286 -9.076 -18.141 1.00 0.00 C ATOM 52 CZ TYR A 4 -7.502 -8.692 -18.665 1.00 0.00 C ATOM 53 OH TYR A 4 -8.669 -9.140 -18.089 1.00 0.00 O ATOM 0 H TYR A 4 -4.273 -5.951 -22.517 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.380 -5.340 -19.713 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.795 -7.674 -21.476 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.015 -7.695 -19.907 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.425 -6.761 -21.198 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.165 -8.926 -18.307 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.508 -7.561 -20.173 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.248 -9.728 -17.281 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.457 -9.717 -17.326 1.00 0.00 H new ATOM 63 N GLU A 5 -2.059 -4.815 -19.037 1.00 0.00 N ATOM 64 CA GLU A 5 -0.720 -4.377 -18.661 1.00 0.00 C ATOM 65 C GLU A 5 0.162 -5.571 -18.318 1.00 0.00 C ATOM 66 O GLU A 5 -0.092 -6.288 -17.350 1.00 0.00 O ATOM 67 CB GLU A 5 -0.784 -3.417 -17.473 1.00 0.00 C ATOM 68 CG GLU A 5 -1.379 -2.061 -17.818 1.00 0.00 C ATOM 69 CD GLU A 5 -0.463 -0.909 -17.452 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.566 -0.408 -16.312 1.00 0.00 O ATOM 71 OE2 GLU A 5 0.356 -0.507 -18.304 1.00 0.00 O ATOM 0 H GLU A 5 -2.766 -4.680 -18.315 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.284 -3.855 -19.513 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.376 -3.873 -16.679 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.222 -3.273 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.593 -2.024 -18.886 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.330 -1.943 -17.298 1.00 0.00 H new ATOM 78 N LYS A 6 1.197 -5.778 -19.120 1.00 0.00 N ATOM 79 CA LYS A 6 2.123 -6.885 -18.910 1.00 0.00 C ATOM 80 C LYS A 6 3.052 -6.601 -17.733 1.00 0.00 C ATOM 81 O LYS A 6 3.208 -5.453 -17.317 1.00 0.00 O ATOM 82 CB LYS A 6 2.943 -7.128 -20.175 1.00 0.00 C ATOM 83 CG LYS A 6 3.769 -5.925 -20.600 1.00 0.00 C ATOM 84 CD LYS A 6 4.222 -6.038 -22.046 1.00 0.00 C ATOM 85 CE LYS A 6 5.056 -4.836 -22.462 1.00 0.00 C ATOM 86 NZ LYS A 6 5.520 -4.939 -23.874 1.00 0.00 N ATOM 0 H LYS A 6 1.418 -5.192 -19.925 1.00 0.00 H new ATOM 0 HA LYS A 6 1.542 -7.779 -18.681 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.608 -7.976 -20.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.271 -7.403 -20.988 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.181 -5.016 -20.473 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.640 -5.834 -19.952 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.805 -6.950 -22.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.351 -6.121 -22.696 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.467 -3.927 -22.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.919 -4.748 -21.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.084 -4.100 -24.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.103 -5.793 -23.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.697 -4.997 -24.507 1.00 0.00 H new ATOM 100 N LEU A 7 3.668 -7.653 -17.202 1.00 0.00 N ATOM 101 CA LEU A 7 4.581 -7.515 -16.074 1.00 0.00 C ATOM 102 C LEU A 7 5.995 -7.155 -16.538 1.00 0.00 C ATOM 103 O LEU A 7 6.926 -7.122 -15.733 1.00 0.00 O ATOM 104 CB LEU A 7 4.614 -8.809 -15.255 1.00 0.00 C ATOM 105 CG LEU A 7 5.204 -8.678 -13.846 1.00 0.00 C ATOM 106 CD1 LEU A 7 4.163 -8.132 -12.879 1.00 0.00 C ATOM 107 CD2 LEU A 7 5.732 -10.022 -13.361 1.00 0.00 C ATOM 0 H LEU A 7 3.551 -8.610 -17.535 1.00 0.00 H new ATOM 0 HA LEU A 7 4.213 -6.702 -15.448 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.597 -9.192 -15.171 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.191 -9.553 -15.805 1.00 0.00 H new ATOM 0 HG LEU A 7 6.037 -7.976 -13.886 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.600 -8.046 -11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.833 -7.150 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.309 -8.809 -12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.147 -9.910 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.917 -10.746 -13.337 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.510 -10.373 -14.039 1.00 0.00 H new ATOM 119 N LEU A 8 6.154 -6.881 -17.834 1.00 0.00 N ATOM 120 CA LEU A 8 7.460 -6.521 -18.379 1.00 0.00 C ATOM 121 C LEU A 8 7.895 -5.155 -17.870 1.00 0.00 C ATOM 122 O LEU A 8 7.901 -4.172 -18.611 1.00 0.00 O ATOM 123 CB LEU A 8 7.431 -6.516 -19.908 1.00 0.00 C ATOM 124 CG LEU A 8 7.618 -7.885 -20.564 1.00 0.00 C ATOM 125 CD1 LEU A 8 6.270 -8.539 -20.826 1.00 0.00 C ATOM 126 CD2 LEU A 8 8.413 -7.750 -21.855 1.00 0.00 C ATOM 0 H LEU A 8 5.399 -6.902 -18.520 1.00 0.00 H new ATOM 0 HA LEU A 8 8.178 -7.270 -18.045 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.479 -6.100 -20.237 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.213 -5.847 -20.269 1.00 0.00 H new ATOM 0 HG LEU A 8 8.179 -8.524 -19.882 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.422 -9.512 -21.293 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.739 -8.668 -19.883 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.681 -7.906 -21.490 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.538 -8.733 -22.310 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.879 -7.096 -22.544 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.392 -7.324 -21.636 1.00 0.00 H new ATOM 138 N GLU A 9 8.260 -5.103 -16.597 1.00 0.00 N ATOM 139 CA GLU A 9 8.700 -3.863 -15.980 1.00 0.00 C ATOM 140 C GLU A 9 10.132 -3.539 -16.396 1.00 0.00 C ATOM 141 O GLU A 9 11.049 -3.546 -15.574 1.00 0.00 O ATOM 142 CB GLU A 9 8.590 -3.979 -14.458 1.00 0.00 C ATOM 143 CG GLU A 9 9.327 -5.178 -13.886 1.00 0.00 C ATOM 144 CD GLU A 9 10.342 -4.791 -12.829 1.00 0.00 C ATOM 145 OE1 GLU A 9 11.105 -3.830 -13.061 1.00 0.00 O ATOM 146 OE2 GLU A 9 10.373 -5.447 -11.767 1.00 0.00 O ATOM 0 H GLU A 9 8.260 -5.908 -15.971 1.00 0.00 H new ATOM 0 HA GLU A 9 8.059 -3.048 -16.318 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.983 -3.070 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.538 -4.044 -14.182 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.605 -5.871 -13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.833 -5.707 -14.693 1.00 0.00 H new ATOM 153 N ARG A 10 10.314 -3.260 -17.686 1.00 0.00 N ATOM 154 CA ARG A 10 11.631 -2.934 -18.225 1.00 0.00 C ATOM 155 C ARG A 10 11.844 -1.427 -18.263 1.00 0.00 C ATOM 156 O ARG A 10 11.030 -0.687 -18.815 1.00 0.00 O ATOM 157 CB ARG A 10 11.796 -3.519 -19.632 1.00 0.00 C ATOM 158 CG ARG A 10 10.651 -3.184 -20.577 1.00 0.00 C ATOM 159 CD ARG A 10 10.808 -3.892 -21.912 1.00 0.00 C ATOM 160 NE ARG A 10 11.803 -3.241 -22.764 1.00 0.00 N ATOM 161 CZ ARG A 10 12.845 -3.866 -23.311 1.00 0.00 C ATOM 162 NH1 ARG A 10 13.041 -5.163 -23.107 1.00 0.00 N ATOM 163 NH2 ARG A 10 13.698 -3.188 -24.069 1.00 0.00 N ATOM 0 H ARG A 10 9.564 -3.254 -18.377 1.00 0.00 H new ATOM 0 HA ARG A 10 12.381 -3.375 -17.568 1.00 0.00 H new ATOM 0 HB2 ARG A 10 12.728 -3.151 -20.061 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.886 -4.603 -19.556 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.704 -3.472 -20.120 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.613 -2.107 -20.737 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.100 -4.928 -21.741 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.847 -3.912 -22.427 1.00 0.00 H new ATOM 0 HE ARG A 10 11.692 -2.245 -22.951 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.390 -5.692 -22.526 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.842 -5.631 -23.531 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.555 -2.191 -24.231 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.497 -3.664 -24.489 1.00 0.00 H new ATOM 177 N ALA A 11 12.942 -0.976 -17.666 1.00 0.00 N ATOM 178 CA ALA A 11 13.257 0.445 -17.627 1.00 0.00 C ATOM 179 C ALA A 11 12.159 1.220 -16.906 1.00 0.00 C ATOM 180 O ALA A 11 11.654 2.220 -17.411 1.00 0.00 O ATOM 181 CB ALA A 11 13.458 0.986 -19.035 1.00 0.00 C ATOM 0 H ALA A 11 13.627 -1.574 -17.204 1.00 0.00 H new ATOM 0 HA ALA A 11 14.187 0.575 -17.073 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.693 2.049 -18.986 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.280 0.455 -19.515 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.546 0.842 -19.614 1.00 0.00 H new ATOM 187 N ILE A 12 11.801 0.748 -15.717 1.00 0.00 N ATOM 188 CA ILE A 12 10.767 1.397 -14.917 1.00 0.00 C ATOM 189 C ILE A 12 11.385 2.222 -13.793 1.00 0.00 C ATOM 190 O ILE A 12 10.741 3.114 -13.241 1.00 0.00 O ATOM 191 CB ILE A 12 9.766 0.387 -14.310 1.00 0.00 C ATOM 192 CG1 ILE A 12 10.478 -0.881 -13.821 1.00 0.00 C ATOM 193 CG2 ILE A 12 8.687 0.034 -15.325 1.00 0.00 C ATOM 194 CD1 ILE A 12 10.616 -0.955 -12.315 1.00 0.00 C ATOM 0 H ILE A 12 12.211 -0.081 -15.286 1.00 0.00 H new ATOM 0 HA ILE A 12 10.221 2.049 -15.598 1.00 0.00 H new ATOM 0 HB ILE A 12 9.296 0.859 -13.447 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.928 -1.755 -14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.470 -0.928 -14.271 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.990 -0.678 -14.883 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.149 0.937 -15.613 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.148 -0.410 -16.207 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.128 -1.877 -12.041 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.192 -0.101 -11.960 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.627 -0.940 -11.858 1.00 0.00 H new ATOM 206 N ASP A 13 12.639 1.925 -13.462 1.00 0.00 N ATOM 207 CA ASP A 13 13.341 2.646 -12.410 1.00 0.00 C ATOM 208 C ASP A 13 13.980 3.919 -12.956 1.00 0.00 C ATOM 209 O ASP A 13 13.496 5.023 -12.713 1.00 0.00 O ATOM 210 CB ASP A 13 14.417 1.759 -11.778 1.00 0.00 C ATOM 211 CG ASP A 13 13.877 0.905 -10.648 1.00 0.00 C ATOM 212 OD1 ASP A 13 12.820 0.270 -10.835 1.00 0.00 O ATOM 213 OD2 ASP A 13 14.515 0.870 -9.575 1.00 0.00 O ATOM 0 H ASP A 13 13.188 1.190 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 13 12.611 2.920 -11.648 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.846 1.113 -12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.225 2.386 -11.401 1.00 0.00 H new ATOM 218 N GLN A 14 15.077 3.754 -13.692 1.00 0.00 N ATOM 219 CA GLN A 14 15.792 4.888 -14.267 1.00 0.00 C ATOM 220 C GLN A 14 15.219 5.279 -15.631 1.00 0.00 C ATOM 221 O GLN A 14 14.550 6.305 -15.757 1.00 0.00 O ATOM 222 CB GLN A 14 17.282 4.558 -14.393 1.00 0.00 C ATOM 223 CG GLN A 14 18.192 5.758 -14.178 1.00 0.00 C ATOM 224 CD GLN A 14 18.649 5.894 -12.739 1.00 0.00 C ATOM 225 OE1 GLN A 14 19.345 5.026 -12.211 1.00 0.00 O ATOM 226 NE2 GLN A 14 18.260 6.988 -12.095 1.00 0.00 N ATOM 0 H GLN A 14 15.489 2.845 -13.904 1.00 0.00 H new ATOM 0 HA GLN A 14 15.667 5.739 -13.598 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.537 3.785 -13.668 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.471 4.142 -15.383 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.064 5.668 -14.825 1.00 0.00 H new ATOM 0 HG3 GLN A 14 17.667 6.665 -14.476 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.684 7.682 -12.571 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.538 7.134 -11.125 1.00 0.00 H new ATOM 235 N LEU A 15 15.484 4.461 -16.648 1.00 0.00 N ATOM 236 CA LEU A 15 14.994 4.729 -18.000 1.00 0.00 C ATOM 237 C LEU A 15 15.554 6.047 -18.540 1.00 0.00 C ATOM 238 O LEU A 15 15.545 7.063 -17.846 1.00 0.00 O ATOM 239 CB LEU A 15 13.465 4.776 -18.013 1.00 0.00 C ATOM 240 CG LEU A 15 12.839 5.101 -19.375 1.00 0.00 C ATOM 241 CD1 LEU A 15 11.972 3.948 -19.859 1.00 0.00 C ATOM 242 CD2 LEU A 15 12.022 6.384 -19.298 1.00 0.00 C ATOM 0 H LEU A 15 16.035 3.607 -16.562 1.00 0.00 H new ATOM 0 HA LEU A 15 15.336 3.918 -18.644 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.084 3.812 -17.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.133 5.521 -17.290 1.00 0.00 H new ATOM 0 HG LEU A 15 13.646 5.248 -20.092 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.538 4.200 -20.827 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.582 3.050 -19.958 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.174 3.766 -19.140 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.586 6.597 -20.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.226 6.265 -18.563 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.669 7.210 -19.001 1.00 0.00 H new ATOM 254 N PRO A 16 16.045 6.052 -19.794 1.00 0.00 N ATOM 255 CA PRO A 16 16.602 7.255 -20.421 1.00 0.00 C ATOM 256 C PRO A 16 15.651 8.450 -20.330 1.00 0.00 C ATOM 257 O PRO A 16 14.468 8.336 -20.649 1.00 0.00 O ATOM 258 CB PRO A 16 16.807 6.849 -21.890 1.00 0.00 C ATOM 259 CG PRO A 16 16.091 5.549 -22.054 1.00 0.00 C ATOM 260 CD PRO A 16 16.097 4.899 -20.702 1.00 0.00 C ATOM 0 HA PRO A 16 17.519 7.575 -19.926 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.405 7.605 -22.565 1.00 0.00 H new ATOM 0 HB3 PRO A 16 17.867 6.744 -22.123 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.072 5.707 -22.406 1.00 0.00 H new ATOM 0 HG3 PRO A 16 16.589 4.920 -22.791 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.242 4.237 -20.566 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.993 4.299 -20.544 1.00 0.00 H new ATOM 268 N PRO A 17 16.159 9.620 -19.898 1.00 0.00 N ATOM 269 CA PRO A 17 15.347 10.837 -19.777 1.00 0.00 C ATOM 270 C PRO A 17 14.744 11.257 -21.116 1.00 0.00 C ATOM 271 O PRO A 17 14.570 10.427 -22.008 1.00 0.00 O ATOM 272 CB PRO A 17 16.343 11.891 -19.266 1.00 0.00 C ATOM 273 CG PRO A 17 17.690 11.345 -19.593 1.00 0.00 C ATOM 274 CD PRO A 17 17.559 9.853 -19.503 1.00 0.00 C ATOM 0 HA PRO A 17 14.494 10.698 -19.113 1.00 0.00 H new ATOM 0 HB2 PRO A 17 16.180 12.854 -19.750 1.00 0.00 H new ATOM 0 HB3 PRO A 17 16.232 12.050 -18.193 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.004 11.650 -20.591 1.00 0.00 H new ATOM 0 HG3 PRO A 17 18.442 11.714 -18.895 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.256 9.345 -20.169 1.00 0.00 H new ATOM 0 HD3 PRO A 17 17.760 9.490 -18.495 1.00 0.00 H new ATOM 282 N GLU A 18 14.420 12.543 -21.252 1.00 0.00 N ATOM 283 CA GLU A 18 13.832 13.066 -22.484 1.00 0.00 C ATOM 284 C GLU A 18 12.420 12.531 -22.680 1.00 0.00 C ATOM 285 O GLU A 18 11.440 13.237 -22.442 1.00 0.00 O ATOM 286 CB GLU A 18 14.699 12.710 -23.696 1.00 0.00 C ATOM 287 CG GLU A 18 15.850 13.677 -23.924 1.00 0.00 C ATOM 288 CD GLU A 18 17.205 12.997 -23.879 1.00 0.00 C ATOM 289 OE1 GLU A 18 17.295 11.883 -23.321 1.00 0.00 O ATOM 290 OE2 GLU A 18 18.178 13.581 -24.402 1.00 0.00 O ATOM 0 H GLU A 18 14.555 13.243 -20.522 1.00 0.00 H new ATOM 0 HA GLU A 18 13.785 14.151 -22.395 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.100 11.705 -23.563 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.072 12.688 -24.587 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.724 14.163 -24.891 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.816 14.460 -23.167 1.00 0.00 H new ATOM 297 N VAL A 19 12.320 11.278 -23.105 1.00 0.00 N ATOM 298 CA VAL A 19 11.023 10.651 -23.319 1.00 0.00 C ATOM 299 C VAL A 19 10.607 9.867 -22.083 1.00 0.00 C ATOM 300 O VAL A 19 11.284 8.925 -21.673 1.00 0.00 O ATOM 301 CB VAL A 19 11.014 9.709 -24.544 1.00 0.00 C ATOM 302 CG1 VAL A 19 9.637 9.704 -25.193 1.00 0.00 C ATOM 303 CG2 VAL A 19 12.081 10.109 -25.556 1.00 0.00 C ATOM 0 H VAL A 19 13.119 10.678 -23.308 1.00 0.00 H new ATOM 0 HA VAL A 19 10.314 11.456 -23.512 1.00 0.00 H new ATOM 0 HB VAL A 19 11.244 8.701 -24.199 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.643 9.037 -26.055 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.896 9.358 -24.472 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.384 10.713 -25.518 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.050 9.428 -26.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.894 11.126 -25.899 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.064 10.059 -25.087 1.00 0.00 H new ATOM 313 N PHE A 20 9.492 10.270 -21.491 1.00 0.00 N ATOM 314 CA PHE A 20 8.986 9.613 -20.292 1.00 0.00 C ATOM 315 C PHE A 20 7.892 8.608 -20.646 1.00 0.00 C ATOM 316 O PHE A 20 7.623 8.361 -21.822 1.00 0.00 O ATOM 317 CB PHE A 20 8.468 10.649 -19.283 1.00 0.00 C ATOM 318 CG PHE A 20 8.209 12.011 -19.871 1.00 0.00 C ATOM 319 CD1 PHE A 20 9.256 12.871 -20.166 1.00 0.00 C ATOM 320 CD2 PHE A 20 6.917 12.425 -20.127 1.00 0.00 C ATOM 321 CE1 PHE A 20 9.012 14.122 -20.706 1.00 0.00 C ATOM 322 CE2 PHE A 20 6.665 13.673 -20.667 1.00 0.00 C ATOM 323 CZ PHE A 20 7.714 14.523 -20.956 1.00 0.00 C ATOM 0 H PHE A 20 8.920 11.048 -21.820 1.00 0.00 H new ATOM 0 HA PHE A 20 9.809 9.069 -19.829 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.545 10.276 -18.839 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.194 10.747 -18.475 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.272 12.562 -19.972 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.092 11.765 -19.902 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.835 14.784 -20.932 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.649 13.982 -20.862 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.520 15.499 -21.376 1.00 0.00 H new ATOM 333 N GLU A 21 7.274 8.014 -19.628 1.00 0.00 N ATOM 334 CA GLU A 21 6.226 7.022 -19.851 1.00 0.00 C ATOM 335 C GLU A 21 5.585 6.590 -18.533 1.00 0.00 C ATOM 336 O GLU A 21 6.165 6.774 -17.462 1.00 0.00 O ATOM 337 CB GLU A 21 6.822 5.809 -20.573 1.00 0.00 C ATOM 338 CG GLU A 21 5.836 4.677 -20.810 1.00 0.00 C ATOM 339 CD GLU A 21 4.720 5.063 -21.759 1.00 0.00 C ATOM 340 OE1 GLU A 21 5.023 5.609 -22.840 1.00 0.00 O ATOM 341 OE2 GLU A 21 3.543 4.818 -21.422 1.00 0.00 O ATOM 0 H GLU A 21 7.479 8.201 -18.646 1.00 0.00 H new ATOM 0 HA GLU A 21 5.447 7.470 -20.468 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.223 6.133 -21.533 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.660 5.429 -19.989 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.368 3.815 -21.213 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.407 4.369 -19.857 1.00 0.00 H new ATOM 348 N THR A 22 4.387 6.011 -18.615 1.00 0.00 N ATOM 349 CA THR A 22 3.679 5.553 -17.423 1.00 0.00 C ATOM 350 C THR A 22 4.294 4.262 -16.894 1.00 0.00 C ATOM 351 O THR A 22 5.142 3.655 -17.547 1.00 0.00 O ATOM 352 CB THR A 22 2.189 5.345 -17.719 1.00 0.00 C ATOM 353 OG1 THR A 22 1.467 5.139 -16.516 1.00 0.00 O ATOM 354 CG2 THR A 22 1.906 4.166 -18.626 1.00 0.00 C ATOM 0 H THR A 22 3.890 5.849 -19.491 1.00 0.00 H new ATOM 0 HA THR A 22 3.775 6.324 -16.659 1.00 0.00 H new ATOM 0 HB THR A 22 1.871 6.254 -18.229 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.518 5.010 -16.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.832 4.083 -18.790 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.408 4.314 -19.582 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.274 3.252 -18.160 1.00 0.00 H new ATOM 362 N LYS A 23 3.858 3.845 -15.710 1.00 0.00 N ATOM 363 CA LYS A 23 4.366 2.622 -15.101 1.00 0.00 C ATOM 364 C LYS A 23 3.418 1.457 -15.362 1.00 0.00 C ATOM 365 O LYS A 23 2.217 1.652 -15.546 1.00 0.00 O ATOM 366 CB LYS A 23 4.556 2.818 -13.594 1.00 0.00 C ATOM 367 CG LYS A 23 5.476 3.976 -13.241 1.00 0.00 C ATOM 368 CD LYS A 23 4.694 5.255 -12.989 1.00 0.00 C ATOM 369 CE LYS A 23 5.495 6.488 -13.380 1.00 0.00 C ATOM 370 NZ LYS A 23 4.742 7.364 -14.319 1.00 0.00 N ATOM 0 H LYS A 23 3.156 4.334 -15.155 1.00 0.00 H new ATOM 0 HA LYS A 23 5.331 2.391 -15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.583 2.985 -13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.959 1.901 -13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.056 3.723 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.187 4.137 -14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.763 5.231 -13.556 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.424 5.315 -11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.753 7.053 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.432 6.180 -13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.118 7.246 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.735 7.103 -14.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.846 8.357 -14.026 1.00 0.00 H new ATOM 384 N ARG A 24 3.962 0.243 -15.375 1.00 0.00 N ATOM 385 CA ARG A 24 3.157 -0.951 -15.613 1.00 0.00 C ATOM 386 C ARG A 24 2.632 -1.525 -14.297 1.00 0.00 C ATOM 387 O ARG A 24 2.570 -2.740 -14.118 1.00 0.00 O ATOM 388 CB ARG A 24 3.982 -2.006 -16.361 1.00 0.00 C ATOM 389 CG ARG A 24 3.534 -2.224 -17.799 1.00 0.00 C ATOM 390 CD ARG A 24 3.778 -0.991 -18.658 1.00 0.00 C ATOM 391 NE ARG A 24 4.588 -1.297 -19.837 1.00 0.00 N ATOM 392 CZ ARG A 24 4.206 -1.063 -21.093 1.00 0.00 C ATOM 393 NH1 ARG A 24 3.023 -0.516 -21.351 1.00 0.00 N ATOM 394 NH2 ARG A 24 5.011 -1.378 -22.098 1.00 0.00 N ATOM 0 H ARG A 24 4.954 0.061 -15.224 1.00 0.00 H new ATOM 0 HA ARG A 24 2.302 -0.670 -16.228 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.030 -1.705 -16.357 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.920 -2.952 -15.823 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.069 -3.074 -18.222 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.473 -2.475 -17.816 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.822 -0.574 -18.973 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.278 -0.227 -18.063 1.00 0.00 H new ATOM 0 HE ARG A 24 5.506 -1.717 -19.689 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.397 -0.271 -20.584 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.741 -0.342 -22.316 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.921 -1.799 -21.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.720 -1.200 -23.059 1.00 0.00 H new ATOM 408 N PHE A 25 2.252 -0.639 -13.380 1.00 0.00 N ATOM 409 CA PHE A 25 1.732 -1.052 -12.082 1.00 0.00 C ATOM 410 C PHE A 25 0.224 -1.267 -12.145 1.00 0.00 C ATOM 411 O PHE A 25 -0.533 -0.341 -12.437 1.00 0.00 O ATOM 412 CB PHE A 25 2.065 -0.001 -11.021 1.00 0.00 C ATOM 413 CG PHE A 25 3.525 0.057 -10.675 1.00 0.00 C ATOM 414 CD1 PHE A 25 4.181 -1.065 -10.196 1.00 0.00 C ATOM 415 CD2 PHE A 25 4.242 1.232 -10.831 1.00 0.00 C ATOM 416 CE1 PHE A 25 5.525 -1.017 -9.878 1.00 0.00 C ATOM 417 CE2 PHE A 25 5.587 1.288 -10.515 1.00 0.00 C ATOM 418 CZ PHE A 25 6.229 0.162 -10.038 1.00 0.00 C ATOM 0 H PHE A 25 2.295 0.371 -13.513 1.00 0.00 H new ATOM 0 HA PHE A 25 2.204 -1.996 -11.811 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.745 0.978 -11.377 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.494 -0.214 -10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.636 -1.989 -10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.744 2.115 -11.204 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.025 -1.899 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.134 2.210 -10.641 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.279 0.202 -9.790 1.00 0.00 H new ATOM 428 N GLU A 26 -0.207 -2.494 -11.873 1.00 0.00 N ATOM 429 CA GLU A 26 -1.625 -2.827 -11.903 1.00 0.00 C ATOM 430 C GLU A 26 -1.954 -3.906 -10.877 1.00 0.00 C ATOM 431 O GLU A 26 -1.719 -5.092 -11.111 1.00 0.00 O ATOM 432 CB GLU A 26 -2.030 -3.299 -13.300 1.00 0.00 C ATOM 433 CG GLU A 26 -3.463 -2.952 -13.665 1.00 0.00 C ATOM 434 CD GLU A 26 -4.335 -4.181 -13.841 1.00 0.00 C ATOM 435 OE1 GLU A 26 -3.890 -5.133 -14.516 1.00 0.00 O ATOM 436 OE2 GLU A 26 -5.461 -4.191 -13.301 1.00 0.00 O ATOM 0 H GLU A 26 0.405 -3.273 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.187 -1.928 -11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.358 -2.854 -14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.899 -4.379 -13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.889 -2.318 -12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.469 -2.372 -14.588 1.00 0.00 H new ATOM 443 N VAL A 27 -2.499 -3.489 -9.740 1.00 0.00 N ATOM 444 CA VAL A 27 -2.860 -4.421 -8.681 1.00 0.00 C ATOM 445 C VAL A 27 -4.026 -3.885 -7.848 1.00 0.00 C ATOM 446 O VAL A 27 -3.898 -3.677 -6.642 1.00 0.00 O ATOM 447 CB VAL A 27 -1.656 -4.711 -7.760 1.00 0.00 C ATOM 448 CG1 VAL A 27 -2.010 -5.755 -6.711 1.00 0.00 C ATOM 449 CG2 VAL A 27 -0.459 -5.163 -8.583 1.00 0.00 C ATOM 0 H VAL A 27 -2.700 -2.512 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.168 -5.350 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.394 -3.789 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.144 -5.941 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.837 -5.392 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.303 -6.682 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.383 -5.364 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.715 -6.070 -9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.186 -4.379 -9.289 1.00 0.00 H new ATOM 459 N PRO A 28 -5.188 -3.652 -8.487 1.00 0.00 N ATOM 460 CA PRO A 28 -6.378 -3.139 -7.798 1.00 0.00 C ATOM 461 C PRO A 28 -6.774 -3.997 -6.606 1.00 0.00 C ATOM 462 O PRO A 28 -6.038 -4.901 -6.206 1.00 0.00 O ATOM 463 CB PRO A 28 -7.463 -3.177 -8.877 1.00 0.00 C ATOM 464 CG PRO A 28 -6.719 -3.123 -10.164 1.00 0.00 C ATOM 465 CD PRO A 28 -5.434 -3.863 -9.926 1.00 0.00 C ATOM 0 HA PRO A 28 -6.210 -2.145 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.062 -4.085 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.148 -2.334 -8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.293 -3.585 -10.967 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.527 -2.092 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.528 -4.922 -10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.622 -3.467 -10.536 1.00 0.00 H new ATOM 473 N LYS A 29 -7.940 -3.707 -6.035 1.00 0.00 N ATOM 474 CA LYS A 29 -8.434 -4.449 -4.880 1.00 0.00 C ATOM 475 C LYS A 29 -7.592 -4.135 -3.646 1.00 0.00 C ATOM 476 O LYS A 29 -6.745 -4.931 -3.240 1.00 0.00 O ATOM 477 CB LYS A 29 -8.419 -5.955 -5.165 1.00 0.00 C ATOM 478 CG LYS A 29 -9.806 -6.561 -5.307 1.00 0.00 C ATOM 479 CD LYS A 29 -9.975 -7.786 -4.421 1.00 0.00 C ATOM 480 CE LYS A 29 -9.850 -9.074 -5.219 1.00 0.00 C ATOM 481 NZ LYS A 29 -9.059 -10.104 -4.490 1.00 0.00 N ATOM 0 H LYS A 29 -8.560 -2.963 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.462 -4.143 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.856 -6.138 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.890 -6.464 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.558 -5.816 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.978 -6.837 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.223 -7.772 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.949 -7.752 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.844 -9.465 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.376 -8.863 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.997 -10.967 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.102 -9.741 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.525 -10.325 -3.587 1.00 0.00 H new ATOM 495 N ALA A 30 -7.827 -2.965 -3.058 1.00 0.00 N ATOM 496 CA ALA A 30 -7.084 -2.542 -1.877 1.00 0.00 C ATOM 497 C ALA A 30 -7.885 -1.549 -1.039 1.00 0.00 C ATOM 498 O ALA A 30 -8.244 -0.470 -1.512 1.00 0.00 O ATOM 499 CB ALA A 30 -5.757 -1.927 -2.290 1.00 0.00 C ATOM 0 H ALA A 30 -8.525 -2.295 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.898 -3.423 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.209 -1.614 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.169 -2.664 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.940 -1.062 -2.927 1.00 0.00 H new ATOM 505 N TYR A 31 -8.154 -1.919 0.212 1.00 0.00 N ATOM 506 CA TYR A 31 -8.906 -1.063 1.125 1.00 0.00 C ATOM 507 C TYR A 31 -9.076 -1.733 2.488 1.00 0.00 C ATOM 508 O TYR A 31 -9.645 -2.821 2.587 1.00 0.00 O ATOM 509 CB TYR A 31 -10.279 -0.728 0.537 1.00 0.00 C ATOM 510 CG TYR A 31 -11.198 -1.923 0.412 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.860 -3.002 -0.394 1.00 0.00 C ATOM 512 CD2 TYR A 31 -12.406 -1.970 1.100 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.698 -4.095 -0.511 1.00 0.00 C ATOM 514 CE2 TYR A 31 -13.249 -3.059 0.987 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.892 -4.119 0.181 1.00 0.00 C ATOM 516 OH TYR A 31 -13.730 -5.205 0.066 1.00 0.00 O ATOM 0 H TYR A 31 -7.861 -2.808 0.616 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.341 -0.140 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.759 0.023 1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.143 -0.282 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.927 -2.987 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.690 -1.142 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.420 -4.927 -1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -14.184 -3.080 1.528 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.527 -5.063 0.618 1.00 0.00 H new ATOM 526 N SER A 32 -8.588 -1.074 3.536 1.00 0.00 N ATOM 527 CA SER A 32 -8.696 -1.605 4.893 1.00 0.00 C ATOM 528 C SER A 32 -10.155 -1.642 5.336 1.00 0.00 C ATOM 529 O SER A 32 -11.044 -1.217 4.598 1.00 0.00 O ATOM 530 CB SER A 32 -7.875 -0.751 5.863 1.00 0.00 C ATOM 531 OG SER A 32 -7.630 0.537 5.327 1.00 0.00 O ATOM 0 H SER A 32 -8.115 -0.173 3.472 1.00 0.00 H new ATOM 0 HA SER A 32 -8.303 -2.622 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.406 -0.659 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.927 -1.246 6.076 1.00 0.00 H new ATOM 0 HG SER A 32 -7.871 1.218 5.989 1.00 0.00 H new ATOM 537 N VAL A 33 -10.406 -2.160 6.537 1.00 0.00 N ATOM 538 CA VAL A 33 -11.768 -2.250 7.056 1.00 0.00 C ATOM 539 C VAL A 33 -11.837 -1.736 8.494 1.00 0.00 C ATOM 540 O VAL A 33 -10.928 -1.969 9.292 1.00 0.00 O ATOM 541 CB VAL A 33 -12.322 -3.697 7.001 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.718 -3.710 6.394 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.399 -4.630 6.221 1.00 0.00 C ATOM 0 H VAL A 33 -9.688 -2.522 7.165 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.388 -1.624 6.414 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.375 -4.065 8.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.092 -4.733 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.385 -3.098 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.678 -3.307 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.824 -5.634 6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.293 -4.266 5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.420 -4.657 6.700 1.00 0.00 H new ATOM 553 N ILE A 34 -12.918 -1.028 8.812 1.00 0.00 N ATOM 554 CA ILE A 34 -13.109 -0.462 10.147 1.00 0.00 C ATOM 555 C ILE A 34 -14.060 -1.308 10.990 1.00 0.00 C ATOM 556 O ILE A 34 -14.871 -2.065 10.457 1.00 0.00 O ATOM 557 CB ILE A 34 -13.675 0.970 10.070 1.00 0.00 C ATOM 558 CG1 ILE A 34 -13.218 1.659 8.785 1.00 0.00 C ATOM 559 CG2 ILE A 34 -13.261 1.780 11.287 1.00 0.00 C ATOM 560 CD1 ILE A 34 -14.262 1.627 7.694 1.00 0.00 C ATOM 0 H ILE A 34 -13.678 -0.831 8.161 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.126 -0.448 10.617 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.763 0.906 10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.963 2.696 9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.309 1.177 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.672 2.787 11.211 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.640 1.301 12.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.173 1.835 11.335 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.878 2.132 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.499 0.592 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.164 2.134 8.038 1.00 0.00 H new ATOM 572 N GLN A 35 -13.959 -1.162 12.309 1.00 0.00 N ATOM 573 CA GLN A 35 -14.812 -1.900 13.233 1.00 0.00 C ATOM 574 C GLN A 35 -14.845 -1.224 14.602 1.00 0.00 C ATOM 575 O GLN A 35 -14.013 -1.506 15.463 1.00 0.00 O ATOM 576 CB GLN A 35 -14.319 -3.340 13.371 1.00 0.00 C ATOM 577 CG GLN A 35 -15.084 -4.331 12.510 1.00 0.00 C ATOM 578 CD GLN A 35 -14.521 -5.734 12.599 1.00 0.00 C ATOM 579 OE1 GLN A 35 -13.677 -6.129 11.795 1.00 0.00 O ATOM 580 NE2 GLN A 35 -14.986 -6.495 13.583 1.00 0.00 N ATOM 0 H GLN A 35 -13.292 -0.537 12.762 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.825 -1.908 12.830 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.263 -3.380 13.105 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.397 -3.643 14.415 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.130 -4.343 12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.061 -3.999 11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.686 -6.125 14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.643 -7.449 13.695 1.00 0.00 H new ATOM 589 N GLY A 36 -15.810 -0.331 14.798 1.00 0.00 N ATOM 590 CA GLY A 36 -15.929 0.368 16.066 1.00 0.00 C ATOM 591 C GLY A 36 -14.816 1.377 16.279 1.00 0.00 C ATOM 592 O GLY A 36 -14.991 2.568 16.023 1.00 0.00 O ATOM 0 H GLY A 36 -16.512 -0.079 14.102 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.891 0.879 16.107 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.918 -0.357 16.880 1.00 0.00 H new ATOM 596 N ASN A 37 -13.669 0.896 16.747 1.00 0.00 N ATOM 597 CA ASN A 37 -12.519 1.758 16.992 1.00 0.00 C ATOM 598 C ASN A 37 -11.218 1.030 16.670 1.00 0.00 C ATOM 599 O ASN A 37 -10.150 1.409 17.152 1.00 0.00 O ATOM 600 CB ASN A 37 -12.504 2.225 18.450 1.00 0.00 C ATOM 601 CG ASN A 37 -12.014 3.653 18.601 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.554 4.424 19.393 1.00 0.00 O ATOM 603 ND2 ASN A 37 -10.986 4.012 17.840 1.00 0.00 N ATOM 0 H ASN A 37 -13.511 -0.088 16.964 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.603 2.627 16.340 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.509 2.144 18.864 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.865 1.562 19.033 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.614 4.960 17.899 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.568 3.340 17.197 1.00 0.00 H new ATOM 610 N ARG A 38 -11.314 -0.013 15.853 1.00 0.00 N ATOM 611 CA ARG A 38 -10.145 -0.792 15.469 1.00 0.00 C ATOM 612 C ARG A 38 -10.134 -1.046 13.967 1.00 0.00 C ATOM 613 O ARG A 38 -11.187 -1.148 13.340 1.00 0.00 O ATOM 614 CB ARG A 38 -10.120 -2.120 16.234 1.00 0.00 C ATOM 615 CG ARG A 38 -11.375 -2.962 16.047 1.00 0.00 C ATOM 616 CD ARG A 38 -12.105 -3.201 17.364 1.00 0.00 C ATOM 617 NE ARG A 38 -11.189 -3.536 18.458 1.00 0.00 N ATOM 618 CZ ARG A 38 -11.306 -4.615 19.231 1.00 0.00 C ATOM 619 NH1 ARG A 38 -12.292 -5.485 19.039 1.00 0.00 N ATOM 620 NH2 ARG A 38 -10.432 -4.824 20.206 1.00 0.00 N ATOM 0 H ARG A 38 -12.190 -0.338 15.444 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.252 -0.221 15.725 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.255 -2.698 15.911 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.987 -1.914 17.296 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.045 -2.463 15.347 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.106 -3.920 15.603 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.672 -2.309 17.629 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.825 -4.010 17.236 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.411 -2.902 18.639 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.970 -5.331 18.293 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.371 -6.307 19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.674 -4.160 20.362 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.518 -5.649 20.800 1.00 0.00 H new ATOM 634 N THR A 39 -8.939 -1.151 13.391 1.00 0.00 N ATOM 635 CA THR A 39 -8.809 -1.398 11.959 1.00 0.00 C ATOM 636 C THR A 39 -8.382 -2.839 11.701 1.00 0.00 C ATOM 637 O THR A 39 -7.394 -3.319 12.255 1.00 0.00 O ATOM 638 CB THR A 39 -7.832 -0.388 11.317 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.458 0.277 10.229 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.533 -0.979 10.786 1.00 0.00 C ATOM 0 H THR A 39 -8.053 -1.069 13.890 1.00 0.00 H new ATOM 0 HA THR A 39 -9.782 -1.254 11.490 1.00 0.00 H new ATOM 0 HB THR A 39 -7.574 0.284 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.071 1.172 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.921 -0.186 10.357 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.990 -1.455 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.757 -1.720 10.018 1.00 0.00 H new ATOM 648 N PHE A 40 -9.145 -3.520 10.860 1.00 0.00 N ATOM 649 CA PHE A 40 -8.869 -4.905 10.516 1.00 0.00 C ATOM 650 C PHE A 40 -8.026 -4.981 9.245 1.00 0.00 C ATOM 651 O PHE A 40 -8.557 -5.150 8.149 1.00 0.00 O ATOM 652 CB PHE A 40 -10.193 -5.652 10.336 1.00 0.00 C ATOM 653 CG PHE A 40 -10.063 -7.048 9.800 1.00 0.00 C ATOM 654 CD1 PHE A 40 -9.752 -8.101 10.640 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.277 -7.307 8.459 1.00 0.00 C ATOM 656 CE1 PHE A 40 -9.651 -9.388 10.152 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.183 -8.591 7.964 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.869 -9.633 8.811 1.00 0.00 C ATOM 0 H PHE A 40 -9.968 -3.131 10.400 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.302 -5.373 11.321 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.704 -5.694 11.298 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.829 -5.078 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.586 -7.914 11.691 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.521 -6.494 7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.402 -10.201 10.817 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.355 -8.780 6.915 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.794 -10.639 8.426 1.00 0.00 H new ATOM 668 N ILE A 41 -6.706 -4.859 9.403 1.00 0.00 N ATOM 669 CA ILE A 41 -5.794 -4.919 8.260 1.00 0.00 C ATOM 670 C ILE A 41 -5.560 -6.371 7.859 1.00 0.00 C ATOM 671 O ILE A 41 -5.285 -7.223 8.709 1.00 0.00 O ATOM 672 CB ILE A 41 -4.427 -4.200 8.518 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.266 -5.213 8.599 1.00 0.00 C ATOM 674 CG2 ILE A 41 -4.479 -3.324 9.768 1.00 0.00 C ATOM 675 CD1 ILE A 41 -1.984 -4.659 9.191 1.00 0.00 C ATOM 0 H ILE A 41 -6.248 -4.719 10.304 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.276 -4.379 7.445 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.241 -3.546 7.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.587 -6.067 9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.056 -5.586 7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.513 -2.841 9.915 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.250 -2.563 9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.711 -3.941 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.224 -5.440 9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.633 -3.825 8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.172 -4.313 10.207 1.00 0.00 H new ATOM 687 N GLN A 42 -5.682 -6.647 6.565 1.00 0.00 N ATOM 688 CA GLN A 42 -5.496 -7.999 6.054 1.00 0.00 C ATOM 689 C GLN A 42 -4.443 -8.034 4.952 1.00 0.00 C ATOM 690 O GLN A 42 -3.613 -8.941 4.907 1.00 0.00 O ATOM 691 CB GLN A 42 -6.825 -8.553 5.534 1.00 0.00 C ATOM 692 CG GLN A 42 -7.482 -7.687 4.470 1.00 0.00 C ATOM 693 CD GLN A 42 -8.487 -8.458 3.639 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.644 -8.056 3.509 1.00 0.00 O ATOM 695 NE2 GLN A 42 -8.049 -9.574 3.069 1.00 0.00 N ATOM 0 H GLN A 42 -5.909 -5.953 5.852 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.144 -8.625 6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.656 -9.549 5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.513 -8.665 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.980 -6.844 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.714 -7.274 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.082 -9.870 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.679 -10.136 2.497 1.00 0.00 H new ATOM 704 N ASN A 43 -4.476 -7.044 4.069 1.00 0.00 N ATOM 705 CA ASN A 43 -3.514 -6.974 2.978 1.00 0.00 C ATOM 706 C ASN A 43 -2.433 -5.947 3.290 1.00 0.00 C ATOM 707 O ASN A 43 -2.060 -5.145 2.438 1.00 0.00 O ATOM 708 CB ASN A 43 -4.214 -6.630 1.660 1.00 0.00 C ATOM 709 CG ASN A 43 -5.498 -7.409 1.450 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.581 -8.595 1.771 1.00 0.00 O ATOM 711 ND2 ASN A 43 -6.511 -6.741 0.908 1.00 0.00 N ATOM 0 H ASN A 43 -5.155 -6.283 4.087 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.045 -7.952 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.436 -5.563 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.535 -6.830 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.401 -7.211 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.398 -5.759 0.657 1.00 0.00 H new ATOM 718 N PHE A 44 -1.935 -5.978 4.527 1.00 0.00 N ATOM 719 CA PHE A 44 -0.896 -5.046 4.964 1.00 0.00 C ATOM 720 C PHE A 44 0.215 -4.929 3.928 1.00 0.00 C ATOM 721 O PHE A 44 0.879 -3.904 3.833 1.00 0.00 O ATOM 722 CB PHE A 44 -0.303 -5.506 6.297 1.00 0.00 C ATOM 723 CG PHE A 44 0.100 -6.955 6.307 1.00 0.00 C ATOM 724 CD1 PHE A 44 1.147 -7.404 5.517 1.00 0.00 C ATOM 725 CD2 PHE A 44 -0.571 -7.870 7.104 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.516 -8.736 5.520 1.00 0.00 C ATOM 727 CE2 PHE A 44 -0.205 -9.203 7.113 1.00 0.00 C ATOM 728 CZ PHE A 44 0.839 -9.637 6.320 1.00 0.00 C ATOM 0 H PHE A 44 -2.235 -6.639 5.244 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.358 -4.066 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.568 -4.893 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.033 -5.335 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.681 -6.704 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.389 -7.537 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.332 -9.072 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.735 -9.905 7.740 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.126 -10.678 6.325 1.00 0.00 H new ATOM 738 N ARG A 45 0.415 -5.983 3.154 1.00 0.00 N ATOM 739 CA ARG A 45 1.451 -5.972 2.134 1.00 0.00 C ATOM 740 C ARG A 45 1.039 -5.092 0.960 1.00 0.00 C ATOM 741 O ARG A 45 1.782 -4.200 0.548 1.00 0.00 O ATOM 742 CB ARG A 45 1.752 -7.385 1.650 1.00 0.00 C ATOM 743 CG ARG A 45 3.153 -7.533 1.085 1.00 0.00 C ATOM 744 CD ARG A 45 3.145 -7.523 -0.434 1.00 0.00 C ATOM 745 NE ARG A 45 3.465 -8.836 -0.986 1.00 0.00 N ATOM 746 CZ ARG A 45 4.621 -9.138 -1.573 1.00 0.00 C ATOM 747 NH1 ARG A 45 5.573 -8.222 -1.707 1.00 0.00 N ATOM 748 NH2 ARG A 45 4.826 -10.365 -2.030 1.00 0.00 N ATOM 0 H ARG A 45 -0.120 -6.849 3.211 1.00 0.00 H new ATOM 0 HA ARG A 45 2.356 -5.560 2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.625 -8.082 2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.027 -7.663 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.782 -6.722 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.594 -8.464 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.164 -7.208 -0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.866 -6.791 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 45 2.758 -9.568 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.423 -7.275 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.455 -8.465 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.099 -11.074 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.710 -10.600 -2.480 1.00 0.00 H new ATOM 762 N GLU A 46 -0.150 -5.344 0.428 1.00 0.00 N ATOM 763 CA GLU A 46 -0.656 -4.569 -0.696 1.00 0.00 C ATOM 764 C GLU A 46 -1.183 -3.219 -0.226 1.00 0.00 C ATOM 765 O GLU A 46 -0.867 -2.182 -0.811 1.00 0.00 O ATOM 766 CB GLU A 46 -1.756 -5.337 -1.424 1.00 0.00 C ATOM 767 CG GLU A 46 -2.086 -4.771 -2.798 1.00 0.00 C ATOM 768 CD GLU A 46 -3.543 -4.366 -2.939 1.00 0.00 C ATOM 769 OE1 GLU A 46 -4.289 -4.454 -1.941 1.00 0.00 O ATOM 770 OE2 GLU A 46 -3.938 -3.959 -4.053 1.00 0.00 O ATOM 0 H GLU A 46 -0.780 -6.076 0.756 1.00 0.00 H new ATOM 0 HA GLU A 46 0.169 -4.398 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.450 -6.378 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.658 -5.332 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.454 -3.904 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.846 -5.514 -3.558 1.00 0.00 H new ATOM 777 N VAL A 47 -1.985 -3.232 0.835 1.00 0.00 N ATOM 778 CA VAL A 47 -2.545 -2.000 1.369 1.00 0.00 C ATOM 779 C VAL A 47 -1.444 -1.032 1.778 1.00 0.00 C ATOM 780 O VAL A 47 -1.587 0.178 1.615 1.00 0.00 O ATOM 781 CB VAL A 47 -3.466 -2.239 2.584 1.00 0.00 C ATOM 782 CG1 VAL A 47 -4.305 -1.003 2.851 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.361 -3.442 2.359 1.00 0.00 C ATOM 0 H VAL A 47 -2.259 -4.077 1.337 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.143 -1.573 0.564 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.841 -2.440 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.952 -1.181 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.650 -0.157 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.916 -0.782 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.000 -3.588 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.981 -3.275 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.746 -4.329 2.207 1.00 0.00 H new ATOM 793 N ALA A 48 -0.344 -1.562 2.307 1.00 0.00 N ATOM 794 CA ALA A 48 0.761 -0.712 2.726 1.00 0.00 C ATOM 795 C ALA A 48 1.476 -0.105 1.527 1.00 0.00 C ATOM 796 O ALA A 48 1.690 1.096 1.481 1.00 0.00 O ATOM 797 CB ALA A 48 1.747 -1.465 3.604 1.00 0.00 C ATOM 0 H ALA A 48 -0.197 -2.561 2.453 1.00 0.00 H new ATOM 0 HA ALA A 48 0.334 0.097 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.557 -0.797 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.236 -1.828 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.155 -2.310 3.050 1.00 0.00 H new ATOM 803 N ASP A 49 1.852 -0.934 0.560 1.00 0.00 N ATOM 804 CA ASP A 49 2.548 -0.433 -0.623 1.00 0.00 C ATOM 805 C ASP A 49 1.819 0.777 -1.205 1.00 0.00 C ATOM 806 O ASP A 49 2.353 1.887 -1.208 1.00 0.00 O ATOM 807 CB ASP A 49 2.680 -1.536 -1.677 1.00 0.00 C ATOM 808 CG ASP A 49 3.813 -1.270 -2.652 1.00 0.00 C ATOM 809 OD1 ASP A 49 3.642 -0.411 -3.542 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.869 -1.926 -2.526 1.00 0.00 O ATOM 0 H ASP A 49 1.691 -1.941 0.568 1.00 0.00 H new ATOM 0 HA ASP A 49 3.548 -0.120 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.848 -2.492 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.743 -1.623 -2.227 1.00 0.00 H new ATOM 815 N ALA A 50 0.605 0.564 -1.710 1.00 0.00 N ATOM 816 CA ALA A 50 -0.172 1.650 -2.303 1.00 0.00 C ATOM 817 C ALA A 50 -0.298 2.855 -1.357 1.00 0.00 C ATOM 818 O ALA A 50 -0.075 3.991 -1.771 1.00 0.00 O ATOM 819 CB ALA A 50 -1.542 1.145 -2.736 1.00 0.00 C ATOM 0 H ALA A 50 0.141 -0.344 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 50 0.366 1.998 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.110 1.965 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.421 0.351 -3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.077 0.757 -1.869 1.00 0.00 H new ATOM 825 N LEU A 51 -0.658 2.611 -0.093 1.00 0.00 N ATOM 826 CA LEU A 51 -0.804 3.693 0.870 1.00 0.00 C ATOM 827 C LEU A 51 0.553 4.349 1.142 1.00 0.00 C ATOM 828 O LEU A 51 0.623 5.483 1.617 1.00 0.00 O ATOM 829 CB LEU A 51 -1.430 3.167 2.174 1.00 0.00 C ATOM 830 CG LEU A 51 -1.080 3.964 3.434 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.559 5.391 3.299 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.678 3.322 4.682 1.00 0.00 C ATOM 0 H LEU A 51 -0.851 1.681 0.279 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.470 4.448 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.514 3.157 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.115 2.133 2.318 1.00 0.00 H new ATOM 0 HG LEU A 51 0.005 3.961 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.304 5.947 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.079 5.856 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.640 5.400 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.411 3.912 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.763 3.284 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.288 2.310 4.793 1.00 0.00 H new ATOM 844 N ASN A 52 1.626 3.621 0.835 1.00 0.00 N ATOM 845 CA ASN A 52 2.988 4.104 1.039 1.00 0.00 C ATOM 846 C ASN A 52 4.000 3.027 0.649 1.00 0.00 C ATOM 847 O ASN A 52 4.129 2.011 1.333 1.00 0.00 O ATOM 848 CB ASN A 52 3.203 4.502 2.502 1.00 0.00 C ATOM 849 CG ASN A 52 4.222 5.610 2.657 1.00 0.00 C ATOM 850 OD1 ASN A 52 5.427 5.380 2.564 1.00 0.00 O ATOM 851 ND2 ASN A 52 3.739 6.822 2.898 1.00 0.00 N ATOM 0 H ASN A 52 1.574 2.682 0.439 1.00 0.00 H new ATOM 0 HA ASN A 52 3.136 4.979 0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.254 4.823 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.530 3.630 3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.375 7.611 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.731 6.965 2.967 1.00 0.00 H new ATOM 858 N ARG A 53 4.714 3.249 -0.453 1.00 0.00 N ATOM 859 CA ARG A 53 5.712 2.290 -0.927 1.00 0.00 C ATOM 860 C ARG A 53 6.610 1.830 0.217 1.00 0.00 C ATOM 861 O ARG A 53 6.935 0.647 0.328 1.00 0.00 O ATOM 862 CB ARG A 53 6.565 2.906 -2.039 1.00 0.00 C ATOM 863 CG ARG A 53 7.310 1.875 -2.875 1.00 0.00 C ATOM 864 CD ARG A 53 6.370 1.109 -3.793 1.00 0.00 C ATOM 865 NE ARG A 53 6.952 -0.155 -4.243 1.00 0.00 N ATOM 866 CZ ARG A 53 8.047 -0.245 -4.995 1.00 0.00 C ATOM 867 NH1 ARG A 53 8.663 0.853 -5.419 1.00 0.00 N ATOM 868 NH2 ARG A 53 8.523 -1.434 -5.337 1.00 0.00 N ATOM 0 H ARG A 53 4.621 4.082 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 53 5.181 1.425 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.924 3.497 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.286 3.592 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.074 2.374 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.825 1.176 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.434 0.911 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.127 1.725 -4.659 1.00 0.00 H new ATOM 0 HE ARG A 53 6.491 -1.021 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.297 1.772 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.502 0.777 -5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.050 -2.282 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.362 -1.501 -5.913 1.00 0.00 H new ATOM 882 N ASP A 54 6.998 2.773 1.070 1.00 0.00 N ATOM 883 CA ASP A 54 7.849 2.466 2.214 1.00 0.00 C ATOM 884 C ASP A 54 7.032 1.820 3.333 1.00 0.00 C ATOM 885 O ASP A 54 5.994 2.347 3.733 1.00 0.00 O ATOM 886 CB ASP A 54 8.521 3.740 2.730 1.00 0.00 C ATOM 887 CG ASP A 54 9.542 3.455 3.816 1.00 0.00 C ATOM 888 OD1 ASP A 54 9.156 2.880 4.855 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.724 3.806 3.627 1.00 0.00 O ATOM 0 H ASP A 54 6.737 3.756 0.991 1.00 0.00 H new ATOM 0 HA ASP A 54 8.617 1.763 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.010 4.252 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.760 4.417 3.119 1.00 0.00 H new ATOM 894 N PRO A 55 7.486 0.667 3.856 1.00 0.00 N ATOM 895 CA PRO A 55 6.784 -0.040 4.932 1.00 0.00 C ATOM 896 C PRO A 55 6.911 0.673 6.275 1.00 0.00 C ATOM 897 O PRO A 55 5.928 0.837 6.998 1.00 0.00 O ATOM 898 CB PRO A 55 7.484 -1.399 4.978 1.00 0.00 C ATOM 899 CG PRO A 55 8.856 -1.137 4.460 1.00 0.00 C ATOM 900 CD PRO A 55 8.715 -0.038 3.441 1.00 0.00 C ATOM 0 HA PRO A 55 5.712 -0.104 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.513 -1.795 5.993 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.963 -2.134 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.526 -0.838 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.280 -2.034 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.579 0.626 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.626 -0.437 2.431 1.00 0.00 H new ATOM 908 N GLN A 56 8.129 1.092 6.602 1.00 0.00 N ATOM 909 CA GLN A 56 8.393 1.786 7.856 1.00 0.00 C ATOM 910 C GLN A 56 7.560 3.058 7.969 1.00 0.00 C ATOM 911 O GLN A 56 7.216 3.488 9.070 1.00 0.00 O ATOM 912 CB GLN A 56 9.875 2.132 7.961 1.00 0.00 C ATOM 913 CG GLN A 56 10.797 0.960 7.667 1.00 0.00 C ATOM 914 CD GLN A 56 11.861 1.301 6.641 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.975 1.687 6.991 1.00 0.00 O ATOM 916 NE2 GLN A 56 11.519 1.160 5.366 1.00 0.00 N ATOM 0 H GLN A 56 8.951 0.962 6.013 1.00 0.00 H new ATOM 0 HA GLN A 56 8.115 1.120 8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.100 2.943 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.082 2.503 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.278 0.639 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.206 0.118 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.583 0.837 5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.192 1.375 4.631 1.00 0.00 H new ATOM 925 N HIS A 57 7.236 3.655 6.828 1.00 0.00 N ATOM 926 CA HIS A 57 6.439 4.872 6.817 1.00 0.00 C ATOM 927 C HIS A 57 5.021 4.573 7.275 1.00 0.00 C ATOM 928 O HIS A 57 4.556 5.096 8.287 1.00 0.00 O ATOM 929 CB HIS A 57 6.419 5.482 5.414 1.00 0.00 C ATOM 930 CG HIS A 57 6.197 6.962 5.411 1.00 0.00 C ATOM 931 ND1 HIS A 57 6.342 7.741 4.283 1.00 0.00 N ATOM 932 CD2 HIS A 57 5.837 7.807 6.405 1.00 0.00 C ATOM 933 CE1 HIS A 57 6.083 9.001 4.582 1.00 0.00 C ATOM 934 NE2 HIS A 57 5.773 9.069 5.863 1.00 0.00 N ATOM 0 H HIS A 57 7.511 3.318 5.906 1.00 0.00 H new ATOM 0 HA HIS A 57 6.889 5.589 7.504 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.364 5.263 4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.634 5.003 4.829 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.637 7.540 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.119 9.834 3.895 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.526 9.920 6.369 1.00 0.00 H new ATOM 942 N LEU A 58 4.344 3.722 6.514 1.00 0.00 N ATOM 943 CA LEU A 58 2.975 3.334 6.822 1.00 0.00 C ATOM 944 C LEU A 58 2.808 3.022 8.300 1.00 0.00 C ATOM 945 O LEU A 58 1.826 3.419 8.927 1.00 0.00 O ATOM 946 CB LEU A 58 2.583 2.108 6.005 1.00 0.00 C ATOM 947 CG LEU A 58 1.199 2.194 5.379 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.304 2.177 3.868 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.303 1.067 5.876 1.00 0.00 C ATOM 0 H LEU A 58 4.724 3.286 5.674 1.00 0.00 H new ATOM 0 HA LEU A 58 2.327 4.173 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.319 1.961 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.625 1.228 6.647 1.00 0.00 H new ATOM 0 HG LEU A 58 0.743 3.136 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.306 2.239 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.899 3.028 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.783 1.252 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.680 1.152 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.746 0.107 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.201 1.134 6.959 1.00 0.00 H new ATOM 961 N LEU A 59 3.775 2.301 8.845 1.00 0.00 N ATOM 962 CA LEU A 59 3.741 1.923 10.245 1.00 0.00 C ATOM 963 C LEU A 59 3.723 3.155 11.139 1.00 0.00 C ATOM 964 O LEU A 59 2.902 3.266 12.048 1.00 0.00 O ATOM 965 CB LEU A 59 4.937 1.034 10.578 1.00 0.00 C ATOM 966 CG LEU A 59 4.622 -0.463 10.610 1.00 0.00 C ATOM 967 CD1 LEU A 59 5.495 -1.220 9.620 1.00 0.00 C ATOM 968 CD2 LEU A 59 4.800 -1.016 12.016 1.00 0.00 C ATOM 0 H LEU A 59 4.593 1.966 8.337 1.00 0.00 H new ATOM 0 HA LEU A 59 2.825 1.361 10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.722 1.212 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.335 1.330 11.549 1.00 0.00 H new ATOM 0 HG LEU A 59 3.581 -0.599 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.254 -2.282 9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.313 -0.844 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.545 -1.077 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.572 -2.082 12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.830 -0.865 12.339 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.126 -0.498 12.699 1.00 0.00 H new ATOM 980 N LYS A 60 4.627 4.085 10.869 1.00 0.00 N ATOM 981 CA LYS A 60 4.708 5.315 11.641 1.00 0.00 C ATOM 982 C LYS A 60 3.421 6.119 11.509 1.00 0.00 C ATOM 983 O LYS A 60 3.009 6.811 12.441 1.00 0.00 O ATOM 984 CB LYS A 60 5.894 6.154 11.167 1.00 0.00 C ATOM 985 CG LYS A 60 6.707 6.747 12.303 1.00 0.00 C ATOM 986 CD LYS A 60 8.197 6.541 12.086 1.00 0.00 C ATOM 987 CE LYS A 60 8.576 5.071 12.175 1.00 0.00 C ATOM 988 NZ LYS A 60 8.390 4.530 13.550 1.00 0.00 N ATOM 0 H LYS A 60 5.315 4.011 10.120 1.00 0.00 H new ATOM 0 HA LYS A 60 4.849 5.054 12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.544 5.534 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.528 6.961 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.494 7.813 12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.408 6.287 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.481 6.932 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.756 7.107 12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.970 4.497 11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.616 4.946 11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.873 3.613 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.792 5.195 14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.375 4.405 13.739 1.00 0.00 H new ATOM 1002 N PHE A 61 2.796 6.029 10.342 1.00 0.00 N ATOM 1003 CA PHE A 61 1.562 6.753 10.081 1.00 0.00 C ATOM 1004 C PHE A 61 0.423 6.231 10.960 1.00 0.00 C ATOM 1005 O PHE A 61 -0.309 7.017 11.562 1.00 0.00 O ATOM 1006 CB PHE A 61 1.199 6.662 8.597 1.00 0.00 C ATOM 1007 CG PHE A 61 0.983 8.004 7.951 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.099 8.918 8.501 1.00 0.00 C ATOM 1009 CD2 PHE A 61 1.669 8.352 6.796 1.00 0.00 C ATOM 1010 CE1 PHE A 61 -0.099 10.154 7.912 1.00 0.00 C ATOM 1011 CE2 PHE A 61 1.475 9.587 6.204 1.00 0.00 C ATOM 1012 CZ PHE A 61 0.590 10.488 6.763 1.00 0.00 C ATOM 0 H PHE A 61 3.125 5.461 9.561 1.00 0.00 H new ATOM 0 HA PHE A 61 1.717 7.802 10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.994 6.136 8.068 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.294 6.065 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.442 8.663 9.400 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.362 7.651 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.792 10.857 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.015 9.846 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.437 11.453 6.302 1.00 0.00 H new ATOM 1022 N LEU A 62 0.277 4.907 11.041 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.775 4.315 11.863 1.00 0.00 C ATOM 1024 C LEU A 62 -0.636 4.758 13.321 1.00 0.00 C ATOM 1025 O LEU A 62 -1.622 5.104 13.967 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.757 2.777 11.757 1.00 0.00 C ATOM 1027 CG LEU A 62 0.323 2.049 12.575 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.264 1.421 13.825 1.00 0.00 C ATOM 1029 CD2 LEU A 62 1.000 0.977 11.739 1.00 0.00 C ATOM 0 H LEU A 62 0.867 4.233 10.553 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.736 4.668 11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.732 2.401 12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.631 2.508 10.708 1.00 0.00 H new ATOM 0 HG LEU A 62 1.063 2.792 12.872 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.524 0.914 14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.707 2.197 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.031 0.700 13.544 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.760 0.475 12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.258 0.249 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.468 1.436 10.868 1.00 0.00 H new ATOM 1041 N LEU A 63 0.593 4.761 13.828 1.00 0.00 N ATOM 1042 CA LEU A 63 0.855 5.168 15.205 1.00 0.00 C ATOM 1043 C LEU A 63 0.672 6.675 15.389 1.00 0.00 C ATOM 1044 O LEU A 63 0.428 7.150 16.498 1.00 0.00 O ATOM 1045 CB LEU A 63 2.274 4.762 15.606 1.00 0.00 C ATOM 1046 CG LEU A 63 2.666 5.098 17.044 1.00 0.00 C ATOM 1047 CD1 LEU A 63 1.734 4.402 18.024 1.00 0.00 C ATOM 1048 CD2 LEU A 63 4.111 4.699 17.303 1.00 0.00 C ATOM 0 H LEU A 63 1.425 4.486 13.305 1.00 0.00 H new ATOM 0 HA LEU A 63 0.135 4.662 15.848 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.382 3.687 15.459 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.978 5.249 14.931 1.00 0.00 H new ATOM 0 HG LEU A 63 2.574 6.174 17.189 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.026 4.651 19.044 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.710 4.732 17.849 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.797 3.323 17.882 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.377 4.944 18.331 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.227 3.627 17.144 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.766 5.240 16.620 1.00 0.00 H new ATOM 1060 N ARG A 64 0.797 7.422 14.297 1.00 0.00 N ATOM 1061 CA ARG A 64 0.648 8.872 14.350 1.00 0.00 C ATOM 1062 C ARG A 64 -0.822 9.265 14.448 1.00 0.00 C ATOM 1063 O ARG A 64 -1.166 10.280 15.055 1.00 0.00 O ATOM 1064 CB ARG A 64 1.282 9.530 13.120 1.00 0.00 C ATOM 1065 CG ARG A 64 2.673 10.099 13.366 1.00 0.00 C ATOM 1066 CD ARG A 64 2.708 11.057 14.549 1.00 0.00 C ATOM 1067 NE ARG A 64 3.944 10.913 15.317 1.00 0.00 N ATOM 1068 CZ ARG A 64 4.660 11.934 15.785 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.243 13.184 15.626 1.00 0.00 N ATOM 1070 NH2 ARG A 64 5.796 11.699 16.428 1.00 0.00 N ATOM 0 H ARG A 64 1.000 7.050 13.369 1.00 0.00 H new ATOM 0 HA ARG A 64 1.164 9.226 15.243 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.339 8.795 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.630 10.331 12.773 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.371 9.281 13.544 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.013 10.619 12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.618 12.083 14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.852 10.869 15.197 1.00 0.00 H new ATOM 0 HE ARG A 64 4.280 9.969 15.507 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.365 13.371 15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.800 13.958 15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.117 10.740 16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.348 12.477 16.788 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.686 8.457 13.842 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.116 8.727 13.857 1.00 0.00 C ATOM 1086 C GLU A 65 -3.833 7.880 14.911 1.00 0.00 C ATOM 1087 O GLU A 65 -4.817 8.322 15.506 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.713 8.474 12.470 1.00 0.00 C ATOM 1089 CG GLU A 65 -5.196 8.782 12.385 1.00 0.00 C ATOM 1090 CD GLU A 65 -5.478 10.237 12.060 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -4.936 10.738 11.053 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -6.243 10.875 12.814 1.00 0.00 O ATOM 0 H GLU A 65 -1.420 7.612 13.336 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.260 9.775 14.121 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.181 9.081 11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.550 7.431 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.650 8.150 11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.670 8.528 13.333 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.335 6.666 15.145 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.932 5.772 16.137 1.00 0.00 C ATOM 1101 C LEU A 66 -3.958 6.430 17.512 1.00 0.00 C ATOM 1102 O LEU A 66 -2.912 6.632 18.131 1.00 0.00 O ATOM 1103 CB LEU A 66 -3.147 4.457 16.230 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.708 3.282 15.420 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.083 3.713 14.010 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.704 2.144 15.386 1.00 0.00 C ATOM 0 H LEU A 66 -2.523 6.280 14.663 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.952 5.562 15.816 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.124 4.643 15.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.097 4.160 17.277 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.617 2.933 15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.477 2.858 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.841 4.495 14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.199 4.096 13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.113 1.315 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.779 2.488 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.498 1.810 16.403 1.00 0.00 H new ATOM 1118 N GLY A 67 -5.151 6.752 17.995 1.00 0.00 N ATOM 1119 CA GLY A 67 -5.270 7.370 19.303 1.00 0.00 C ATOM 1120 C GLY A 67 -5.419 6.346 20.417 1.00 0.00 C ATOM 1121 O GLY A 67 -5.616 6.709 21.578 1.00 0.00 O ATOM 0 H GLY A 67 -6.034 6.598 17.508 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.390 7.984 19.493 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.132 8.038 19.309 1.00 0.00 H new ATOM 1125 N THR A 68 -5.320 5.065 20.065 1.00 0.00 N ATOM 1126 CA THR A 68 -5.441 3.985 21.040 1.00 0.00 C ATOM 1127 C THR A 68 -4.146 3.182 21.115 1.00 0.00 C ATOM 1128 O THR A 68 -3.256 3.346 20.280 1.00 0.00 O ATOM 1129 CB THR A 68 -6.624 3.055 20.705 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.208 1.898 19.997 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.702 3.708 19.869 1.00 0.00 C ATOM 0 H THR A 68 -5.156 4.750 19.109 1.00 0.00 H new ATOM 0 HA THR A 68 -5.632 4.439 22.013 1.00 0.00 H new ATOM 0 HB THR A 68 -7.032 2.798 21.683 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.548 2.150 19.318 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.498 2.989 19.676 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.109 4.565 20.405 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.277 4.041 18.922 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.055 2.314 22.120 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.880 1.467 22.321 1.00 0.00 C ATOM 1141 C ALA A 69 -2.246 1.038 20.998 1.00 0.00 C ATOM 1142 O ALA A 69 -1.073 1.310 20.744 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.262 0.235 23.129 1.00 0.00 C ATOM 0 H ALA A 69 -4.789 2.178 22.815 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.142 2.056 22.866 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.382 -0.392 23.275 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.653 0.543 24.099 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.025 -0.330 22.593 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.030 0.364 20.160 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.526 -0.094 18.878 1.00 0.00 C ATOM 1151 C GLY A 70 -1.808 -1.427 18.978 1.00 0.00 C ATOM 1152 O GLY A 70 -0.704 -1.502 19.517 1.00 0.00 O ATOM 0 H GLY A 70 -4.004 0.127 20.347 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.355 -0.184 18.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.844 0.653 18.472 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.433 -2.483 18.460 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.841 -3.818 18.500 1.00 0.00 C ATOM 1158 C ASN A 71 -2.507 -4.747 17.489 1.00 0.00 C ATOM 1159 O ASN A 71 -3.559 -4.436 16.942 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.959 -4.416 19.903 1.00 0.00 C ATOM 1161 CG ASN A 71 -3.396 -4.478 20.387 1.00 0.00 C ATOM 1162 OD1 ASN A 71 -3.971 -3.467 20.792 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -3.983 -5.670 20.350 1.00 0.00 N ATOM 0 H ASN A 71 -3.347 -2.440 18.009 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.787 -3.719 18.239 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.535 -5.420 19.904 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.369 -3.820 20.600 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.948 -5.773 20.665 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.469 -6.481 20.007 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.882 -5.892 17.247 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.416 -6.868 16.304 1.00 0.00 C ATOM 1172 C LEU A 72 -3.318 -7.872 17.024 1.00 0.00 C ATOM 1173 O LEU A 72 -2.841 -8.705 17.797 1.00 0.00 O ATOM 1174 CB LEU A 72 -1.273 -7.598 15.583 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.041 -6.747 15.228 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.449 -5.397 14.653 1.00 0.00 C ATOM 1177 CD2 LEU A 72 0.856 -6.564 16.445 1.00 0.00 C ATOM 0 H LEU A 72 -1.006 -6.168 17.690 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.013 -6.338 15.562 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.947 -8.428 16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.668 -8.029 14.663 1.00 0.00 H new ATOM 0 HG LEU A 72 0.522 -7.280 14.462 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.443 -4.819 14.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.037 -5.550 13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.046 -4.854 15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.721 -5.960 16.172 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.298 -6.063 17.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.192 -7.539 16.799 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.622 -7.794 16.758 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.595 -8.701 17.372 1.00 0.00 C ATOM 1191 C GLU A 73 -6.067 -9.753 16.360 1.00 0.00 C ATOM 1192 O GLU A 73 -6.093 -9.497 15.157 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.777 -7.885 17.927 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.992 -8.707 18.341 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.160 -8.781 19.847 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -7.166 -9.078 20.541 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -9.286 -8.539 20.331 1.00 0.00 O ATOM 0 H GLU A 73 -5.031 -7.111 16.120 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.123 -9.233 18.197 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.432 -7.315 18.790 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.086 -7.163 17.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.888 -8.271 17.900 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.898 -9.716 17.940 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.442 -10.934 16.854 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.911 -11.997 15.973 1.00 0.00 C ATOM 1206 C GLY A 74 -5.826 -12.517 15.045 1.00 0.00 C ATOM 1207 O GLY A 74 -4.711 -11.998 15.035 1.00 0.00 O ATOM 0 H GLY A 74 -6.430 -11.174 17.845 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.292 -12.821 16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.745 -11.627 15.377 1.00 0.00 H new ATOM 1211 N GLY A 75 -6.153 -13.545 14.260 1.00 0.00 N ATOM 1212 CA GLY A 75 -5.184 -14.111 13.335 1.00 0.00 C ATOM 1213 C GLY A 75 -4.576 -13.064 12.423 1.00 0.00 C ATOM 1214 O GLY A 75 -3.416 -13.173 12.025 1.00 0.00 O ATOM 0 H GLY A 75 -7.069 -13.994 14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.391 -14.602 13.899 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.668 -14.878 12.731 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.362 -12.043 12.096 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.897 -10.962 11.235 1.00 0.00 C ATOM 1220 C ARG A 76 -4.284 -9.844 12.075 1.00 0.00 C ATOM 1221 O ARG A 76 -3.850 -10.081 13.203 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.052 -10.430 10.384 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.687 -10.265 8.917 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.709 -10.919 8.004 1.00 0.00 C ATOM 1225 NE ARG A 76 -6.451 -12.347 7.826 1.00 0.00 N ATOM 1226 CZ ARG A 76 -7.407 -13.266 7.692 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -8.685 -12.914 7.695 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -7.081 -14.541 7.540 1.00 0.00 N ATOM 0 H ARG A 76 -6.326 -11.942 12.415 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.128 -11.349 10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.900 -11.110 10.467 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.375 -9.468 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.613 -9.204 8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.705 -10.702 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.707 -10.780 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.696 -10.425 7.033 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.480 -12.659 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.944 -11.933 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.410 -13.624 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.100 -14.818 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.811 -15.245 7.437 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.238 -8.627 11.536 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.664 -7.505 12.269 1.00 0.00 C ATOM 1244 C ALA A 77 -4.724 -6.464 12.608 1.00 0.00 C ATOM 1245 O ALA A 77 -4.850 -5.446 11.930 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.531 -6.877 11.473 1.00 0.00 C ATOM 0 H ALA A 77 -4.587 -8.396 10.606 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.262 -7.886 13.208 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.113 -6.041 12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.754 -7.621 11.297 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.913 -6.518 10.517 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.489 -6.729 13.663 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.544 -5.817 14.091 1.00 0.00 C ATOM 1254 C ILE A 78 -6.022 -4.811 15.111 1.00 0.00 C ATOM 1255 O ILE A 78 -6.017 -5.079 16.313 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.734 -6.581 14.710 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -8.044 -7.842 13.901 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.962 -5.684 14.793 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.909 -8.840 14.640 1.00 0.00 C ATOM 0 H ILE A 78 -5.398 -7.567 14.237 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.882 -5.289 13.200 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.459 -6.881 15.721 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.544 -7.556 12.976 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.107 -8.323 13.621 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.790 -6.241 15.232 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.738 -4.817 15.414 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.238 -5.352 13.792 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.087 -9.708 14.005 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.402 -9.156 15.552 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.862 -8.376 14.896 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.599 -3.644 14.630 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.093 -2.596 15.510 1.00 0.00 C ATOM 1273 C LEU A 79 -6.229 -1.705 15.979 1.00 0.00 C ATOM 1274 O LEU A 79 -7.389 -1.942 15.648 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.027 -1.750 14.811 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.488 -1.060 13.527 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.080 0.310 13.831 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.332 -0.932 12.548 1.00 0.00 C ATOM 0 H LEU A 79 -5.597 -3.402 13.639 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.635 -3.080 16.373 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.674 -0.989 15.508 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.175 -2.388 14.577 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.265 -1.674 13.071 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.401 0.782 12.902 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.937 0.197 14.496 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.327 0.933 14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.678 -0.439 11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.535 -0.342 13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.953 -1.924 12.301 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.894 -0.685 16.754 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.899 0.227 17.269 1.00 0.00 C ATOM 1292 C GLN A 80 -6.403 1.676 17.237 1.00 0.00 C ATOM 1293 O GLN A 80 -5.336 1.989 17.764 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.274 -0.201 18.686 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.716 0.083 19.056 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.109 -0.556 20.372 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -8.284 -0.705 21.273 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.373 -0.942 20.488 1.00 0.00 N ATOM 0 H GLN A 80 -4.938 -0.470 17.038 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.784 0.184 16.635 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.086 -1.269 18.793 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.621 0.310 19.393 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.867 1.161 19.119 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.371 -0.285 18.266 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.023 -0.799 19.715 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.695 -1.382 21.350 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.182 2.555 16.599 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.801 3.956 16.498 1.00 0.00 C ATOM 1309 C GLY A 81 -7.792 4.784 15.704 1.00 0.00 C ATOM 1310 O GLY A 81 -8.973 4.854 16.047 1.00 0.00 O ATOM 0 H GLY A 81 -8.068 2.320 16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.707 4.374 17.500 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.819 4.027 16.030 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.303 5.419 14.642 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.145 6.254 13.796 1.00 0.00 C ATOM 1316 C LYS A 82 -7.784 6.090 12.321 1.00 0.00 C ATOM 1317 O LYS A 82 -7.957 7.011 11.524 1.00 0.00 O ATOM 1318 CB LYS A 82 -8.025 7.724 14.203 1.00 0.00 C ATOM 1319 CG LYS A 82 -7.971 7.941 15.707 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.151 9.407 16.065 1.00 0.00 C ATOM 1321 CE LYS A 82 -9.535 9.909 15.685 1.00 0.00 C ATOM 1322 NZ LYS A 82 -10.125 10.772 16.747 1.00 0.00 N ATOM 0 H LYS A 82 -6.327 5.370 14.348 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.177 5.930 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.126 8.144 13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.873 8.275 13.796 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.749 7.349 16.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.015 7.586 16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.995 9.543 17.135 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.394 10.003 15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.474 10.471 14.753 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.192 9.059 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.068 11.093 16.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.207 10.229 17.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.512 11.597 16.904 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.303 4.902 11.959 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.944 4.610 10.573 1.00 0.00 C ATOM 1338 C PHE A 83 -8.144 4.002 9.851 1.00 0.00 C ATOM 1339 O PHE A 83 -8.028 3.001 9.145 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.738 3.664 10.515 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.494 4.320 9.984 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.236 5.658 10.239 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.587 3.599 9.224 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.097 6.263 9.746 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.447 4.201 8.728 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.203 5.535 8.990 1.00 0.00 C ATOM 0 H PHE A 83 -7.153 4.127 12.605 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.665 5.538 10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.539 3.278 11.515 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.986 2.808 9.887 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.933 6.233 10.830 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.773 2.555 9.017 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.907 7.306 9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.747 3.629 8.136 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.312 6.008 8.603 1.00 0.00 H new ATOM 1356 N THR A 84 -9.302 4.631 10.046 1.00 0.00 N ATOM 1357 CA THR A 84 -10.547 4.181 9.436 1.00 0.00 C ATOM 1358 C THR A 84 -10.576 4.549 7.956 1.00 0.00 C ATOM 1359 O THR A 84 -11.235 5.507 7.551 1.00 0.00 O ATOM 1360 CB THR A 84 -11.735 4.814 10.168 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.882 6.175 9.805 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.608 4.758 11.678 1.00 0.00 C ATOM 0 H THR A 84 -9.401 5.462 10.629 1.00 0.00 H new ATOM 0 HA THR A 84 -10.614 3.096 9.519 1.00 0.00 H new ATOM 0 HB THR A 84 -12.603 4.227 9.867 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.896 6.253 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.482 5.223 12.134 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.541 3.719 11.999 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.710 5.292 11.988 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.833 3.789 7.156 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.737 4.032 5.719 1.00 0.00 C ATOM 1372 C HIS A 85 -9.505 5.511 5.437 1.00 0.00 C ATOM 1373 O HIS A 85 -10.031 6.065 4.475 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.004 3.554 5.002 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.220 4.394 5.270 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -13.212 4.018 6.146 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -12.610 5.594 4.765 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.157 4.938 6.172 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -13.817 5.907 5.343 1.00 0.00 N ATOM 0 H HIS A 85 -9.284 2.993 7.482 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.886 3.466 5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.816 3.539 3.928 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.212 2.527 5.303 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.072 6.191 4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -15.056 4.904 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.361 6.750 5.161 1.00 0.00 H new ATOM 1387 N PHE A 86 -8.699 6.144 6.275 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.394 7.552 6.103 1.00 0.00 C ATOM 1389 C PHE A 86 -7.155 7.732 5.240 1.00 0.00 C ATOM 1390 O PHE A 86 -7.254 7.934 4.031 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.212 8.229 7.463 1.00 0.00 C ATOM 1392 CG PHE A 86 -9.390 9.068 7.862 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.680 8.634 7.602 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -9.211 10.291 8.487 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.770 9.402 7.959 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -10.297 11.065 8.848 1.00 0.00 C ATOM 1397 CZ PHE A 86 -11.578 10.620 8.583 1.00 0.00 C ATOM 0 H PHE A 86 -8.247 5.706 7.077 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.232 8.027 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.042 7.466 8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.320 8.855 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.835 7.683 7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.211 10.643 8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.770 9.052 7.751 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.145 12.016 9.336 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.429 11.224 8.863 1.00 0.00 H new ATOM 1407 N LEU A 87 -5.990 7.646 5.866 1.00 0.00 N ATOM 1408 CA LEU A 87 -4.731 7.791 5.154 1.00 0.00 C ATOM 1409 C LEU A 87 -4.527 6.633 4.187 1.00 0.00 C ATOM 1410 O LEU A 87 -4.011 6.817 3.084 1.00 0.00 O ATOM 1411 CB LEU A 87 -3.571 7.848 6.151 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.933 9.225 6.326 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -2.102 9.586 5.106 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -4.001 10.279 6.582 1.00 0.00 C ATOM 0 H LEU A 87 -5.892 7.476 6.867 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.760 8.719 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.929 7.505 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.801 7.146 5.829 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.272 9.192 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.655 10.570 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.314 8.846 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.740 9.602 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.528 11.254 6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.689 10.313 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.552 10.027 7.488 1.00 0.00 H new ATOM 1426 N ILE A 88 -4.916 5.440 4.617 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.756 4.250 3.795 1.00 0.00 C ATOM 1428 C ILE A 88 -5.544 4.366 2.486 1.00 0.00 C ATOM 1429 O ILE A 88 -4.967 4.352 1.399 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.226 2.990 4.553 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.727 2.995 6.012 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.762 1.742 3.824 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.704 1.622 6.657 1.00 0.00 C ATOM 0 H ILE A 88 -5.343 5.272 5.528 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.694 4.162 3.564 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.316 2.993 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.722 3.416 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.365 3.653 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.098 0.858 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.181 1.732 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.674 1.739 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.342 1.707 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.711 1.205 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.042 0.966 6.092 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.863 4.459 2.601 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.735 4.548 1.430 1.00 0.00 C ATOM 1447 C ASN A 89 -7.353 5.710 0.509 1.00 0.00 C ATOM 1448 O ASN A 89 -7.335 5.560 -0.714 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.194 4.686 1.872 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.022 3.459 1.542 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -9.493 2.439 1.098 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -11.329 3.553 1.758 1.00 0.00 N ATOM 0 H ASN A 89 -7.356 4.475 3.494 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.609 3.627 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.229 4.865 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.635 5.558 1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.938 2.760 1.555 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.724 4.418 2.127 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.065 6.870 1.092 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.706 8.053 0.308 1.00 0.00 C ATOM 1461 C GLU A 90 -5.469 7.802 -0.550 1.00 0.00 C ATOM 1462 O GLU A 90 -5.503 7.962 -1.770 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.452 9.241 1.238 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.421 10.393 1.044 1.00 0.00 C ATOM 1465 CD GLU A 90 -7.725 11.117 2.340 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -7.996 10.437 3.351 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -7.687 12.367 2.347 1.00 0.00 O ATOM 0 H GLU A 90 -7.072 7.018 2.101 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.541 8.277 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.511 8.900 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.436 9.603 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.003 11.099 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.349 10.015 0.616 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.375 7.415 0.097 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.128 7.153 -0.608 1.00 0.00 C ATOM 1476 C ARG A 91 -3.296 6.024 -1.615 1.00 0.00 C ATOM 1477 O ARG A 91 -2.953 6.171 -2.788 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.029 6.784 0.383 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.157 7.946 0.825 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.452 8.603 -0.351 1.00 0.00 C ATOM 1481 NE ARG A 91 0.924 8.132 -0.504 1.00 0.00 N ATOM 1482 CZ ARG A 91 1.889 8.842 -1.087 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.648 10.070 -1.527 1.00 0.00 N ATOM 1484 NH2 ARG A 91 3.103 8.324 -1.227 1.00 0.00 N ATOM 0 H ARG A 91 -4.327 7.276 1.106 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.850 8.062 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.489 6.336 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.394 6.021 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.770 8.685 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.416 7.592 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.008 8.398 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.451 9.684 -0.214 1.00 0.00 H new ATOM 0 HE ARG A 91 1.158 7.207 -0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.719 10.477 -1.420 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.392 10.607 -1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.298 7.382 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.841 8.868 -1.673 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.830 4.894 -1.155 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.029 3.750 -2.037 1.00 0.00 C ATOM 1500 C ILE A 92 -4.813 4.170 -3.271 1.00 0.00 C ATOM 1501 O ILE A 92 -4.357 4.002 -4.398 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.798 2.605 -1.342 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.967 2.007 -0.204 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.177 1.527 -2.356 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.600 0.788 0.430 1.00 0.00 C ATOM 0 H ILE A 92 -4.128 4.748 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.038 3.389 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.713 3.015 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.982 1.738 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.814 2.767 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.718 0.727 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.810 1.962 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.273 1.122 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.957 0.417 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.573 1.056 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.728 0.011 -0.324 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.000 4.721 -3.042 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.860 5.172 -4.130 1.00 0.00 C ATOM 1519 C GLU A 93 -6.083 6.053 -5.101 1.00 0.00 C ATOM 1520 O GLU A 93 -6.374 6.086 -6.296 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.060 5.934 -3.571 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.160 6.171 -4.590 1.00 0.00 C ATOM 1523 CD GLU A 93 -10.365 6.864 -3.988 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.745 6.513 -2.850 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.928 7.760 -4.651 1.00 0.00 O ATOM 0 H GLU A 93 -6.389 4.866 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.218 4.296 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.471 5.379 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.721 6.895 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.769 6.774 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.469 5.216 -5.016 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.091 6.763 -4.574 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.264 7.643 -5.388 1.00 0.00 C ATOM 1534 C ASP A 94 -3.288 6.839 -6.241 1.00 0.00 C ATOM 1535 O ASP A 94 -2.919 7.261 -7.333 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.496 8.618 -4.495 1.00 0.00 C ATOM 1537 CG ASP A 94 -2.792 9.698 -5.291 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.449 10.329 -6.146 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -1.584 9.915 -5.059 1.00 0.00 O ATOM 0 H ASP A 94 -4.841 6.745 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.919 8.206 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.186 9.082 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.762 8.067 -3.907 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.878 5.681 -5.733 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.946 4.812 -6.446 1.00 0.00 C ATOM 1546 C TYR A 95 -2.692 3.888 -7.399 1.00 0.00 C ATOM 1547 O TYR A 95 -2.431 3.868 -8.601 1.00 0.00 O ATOM 1548 CB TYR A 95 -1.127 3.984 -5.452 1.00 0.00 C ATOM 1549 CG TYR A 95 0.083 3.314 -6.063 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.014 4.046 -6.793 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.300 1.951 -5.906 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.122 3.435 -7.350 1.00 0.00 C ATOM 1553 CE2 TYR A 95 1.407 1.335 -6.457 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.314 2.081 -7.178 1.00 0.00 C ATOM 1555 OH TYR A 95 3.418 1.471 -7.728 1.00 0.00 O ATOM 0 H TYR A 95 -3.177 5.321 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.271 5.440 -7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.800 4.631 -4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.770 3.221 -5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.869 5.108 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.409 1.362 -5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.834 4.016 -7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.561 0.274 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 95 3.322 1.438 -8.703 1.00 0.00 H new ATOM 1565 N VAL A 96 -3.622 3.118 -6.853 1.00 0.00 N ATOM 1566 CA VAL A 96 -4.405 2.187 -7.646 1.00 0.00 C ATOM 1567 C VAL A 96 -5.180 2.912 -8.745 1.00 0.00 C ATOM 1568 O VAL A 96 -5.193 2.473 -9.895 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.378 1.379 -6.767 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -6.449 2.270 -6.156 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.001 0.258 -7.576 1.00 0.00 C ATOM 0 H VAL A 96 -3.852 3.121 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.703 1.495 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.812 0.944 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.118 1.667 -5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.978 3.033 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.020 2.750 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.687 -0.308 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.547 0.679 -8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.217 -0.404 -7.944 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.816 4.024 -8.389 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.580 4.805 -9.356 1.00 0.00 C ATOM 1583 C ASN A 97 -5.895 6.139 -9.645 1.00 0.00 C ATOM 1584 O ASN A 97 -6.515 7.196 -9.556 1.00 0.00 O ATOM 1585 CB ASN A 97 -8.008 5.052 -8.856 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.728 3.773 -8.476 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -9.079 3.567 -7.314 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -8.961 2.909 -9.457 1.00 0.00 N ATOM 0 H ASN A 97 -5.818 4.403 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.627 4.228 -10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.976 5.716 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.576 5.566 -9.632 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.448 2.035 -9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.653 3.120 -10.406 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.613 6.091 -9.995 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.866 7.310 -10.295 1.00 0.00 C ATOM 1597 C LYS A 98 -4.156 7.791 -11.716 1.00 0.00 C ATOM 1598 O LYS A 98 -3.858 8.931 -12.067 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.361 7.072 -10.133 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.798 6.042 -11.100 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.747 5.171 -10.430 1.00 0.00 C ATOM 1602 CE LYS A 98 0.654 5.716 -10.648 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.671 4.955 -9.872 1.00 0.00 N ATOM 0 H LYS A 98 -4.073 5.230 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.186 8.078 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.835 8.016 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.161 6.746 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.606 5.415 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.359 6.549 -11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.952 5.110 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.809 4.157 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.900 5.673 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.685 6.766 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.517 5.544 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.278 4.697 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.929 4.091 -10.391 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.742 6.918 -12.526 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.074 7.263 -13.901 1.00 0.00 C ATOM 1619 C PHE A 99 -6.332 8.131 -13.963 1.00 0.00 C ATOM 1620 O PHE A 99 -6.352 9.164 -14.631 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.257 5.995 -14.742 1.00 0.00 C ATOM 1622 CG PHE A 99 -6.576 5.308 -14.533 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -6.765 4.456 -13.458 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -7.625 5.518 -15.411 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -7.979 3.825 -13.263 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -8.842 4.890 -15.223 1.00 0.00 C ATOM 1627 CZ PHE A 99 -9.019 4.042 -14.146 1.00 0.00 C ATOM 0 H PHE A 99 -4.996 5.968 -12.255 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.246 7.840 -14.313 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.157 6.253 -15.796 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.454 5.296 -14.507 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.955 4.283 -12.765 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.491 6.181 -16.253 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.115 3.163 -12.421 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.652 5.062 -15.916 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.969 3.550 -13.995 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.379 7.695 -13.268 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.642 8.423 -13.250 1.00 0.00 C ATOM 1639 C VAL A 100 -8.618 9.568 -12.235 1.00 0.00 C ATOM 1640 O VAL A 100 -9.448 10.475 -12.297 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.820 7.478 -12.935 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -9.574 6.726 -11.636 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.134 8.246 -12.876 1.00 0.00 C ATOM 0 H VAL A 100 -7.377 6.841 -12.710 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.780 8.846 -14.245 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.893 6.749 -13.742 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.417 6.065 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.663 6.135 -11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.466 7.438 -10.818 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.948 7.557 -12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.077 9.005 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.318 8.726 -13.837 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.667 9.528 -11.305 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.550 10.569 -10.288 1.00 0.00 C ATOM 1655 C ILE A 101 -6.492 11.603 -10.673 1.00 0.00 C ATOM 1656 O ILE A 101 -6.742 12.807 -10.614 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.206 9.974 -8.906 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -8.249 8.927 -8.501 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -7.114 11.072 -7.854 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -9.600 9.511 -8.142 1.00 0.00 C ATOM 0 H ILE A 101 -6.968 8.788 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.521 11.060 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.234 9.486 -8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.376 8.220 -9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.870 8.362 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.871 10.630 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.335 11.781 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.070 11.591 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.282 8.707 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.489 10.196 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.002 10.051 -8.999 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.314 11.129 -11.072 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.225 12.022 -11.469 1.00 0.00 C ATOM 1674 C CYS A 102 -4.329 12.406 -12.945 1.00 0.00 C ATOM 1675 O CYS A 102 -3.414 13.015 -13.499 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.868 11.362 -11.204 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.493 12.530 -11.057 1.00 0.00 S ATOM 0 H CYS A 102 -5.088 10.136 -11.129 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.309 12.929 -10.870 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.934 10.777 -10.286 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.652 10.663 -12.012 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.444 12.047 -13.579 1.00 0.00 N ATOM 1683 CA HIS A 103 -5.656 12.356 -14.988 1.00 0.00 C ATOM 1684 C HIS A 103 -4.542 11.769 -15.847 1.00 0.00 C ATOM 1685 O HIS A 103 -3.971 12.449 -16.700 1.00 0.00 O ATOM 1686 CB HIS A 103 -5.742 13.870 -15.189 1.00 0.00 C ATOM 1687 CG HIS A 103 -6.686 14.535 -14.236 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.979 14.105 -14.036 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -6.518 15.602 -13.419 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.567 14.874 -13.138 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -7.702 15.790 -12.747 1.00 0.00 N ATOM 0 H HIS A 103 -6.213 11.542 -13.138 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.598 11.905 -15.300 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.749 14.304 -15.070 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.060 14.078 -16.211 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.621 16.195 -13.315 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.582 14.771 -12.784 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -7.883 16.520 -12.058 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.244 10.494 -15.610 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.203 9.790 -16.351 1.00 0.00 C ATOM 1701 C GLU A 104 -1.933 10.629 -16.468 1.00 0.00 C ATOM 1702 O GLU A 104 -1.638 11.181 -17.529 1.00 0.00 O ATOM 1703 CB GLU A 104 -3.699 9.401 -17.743 1.00 0.00 C ATOM 1704 CG GLU A 104 -2.730 8.507 -18.504 1.00 0.00 C ATOM 1705 CD GLU A 104 -2.555 7.143 -17.858 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -2.374 7.085 -16.625 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -2.592 6.133 -18.590 1.00 0.00 O ATOM 0 H GLU A 104 -4.713 9.925 -14.905 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.963 8.885 -15.793 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.656 8.889 -17.649 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.878 10.307 -18.323 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.089 8.377 -19.525 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.760 9.001 -18.567 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.185 10.717 -15.374 1.00 0.00 N ATOM 1715 CA CYS A 105 0.056 11.483 -15.356 1.00 0.00 C ATOM 1716 C CYS A 105 1.140 10.783 -16.176 1.00 0.00 C ATOM 1717 O CYS A 105 2.239 10.529 -15.682 1.00 0.00 O ATOM 1718 CB CYS A 105 0.533 11.678 -13.914 1.00 0.00 C ATOM 1719 SG CYS A 105 1.241 13.306 -13.580 1.00 0.00 S ATOM 0 H CYS A 105 -1.416 10.268 -14.488 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.137 12.458 -15.804 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.308 11.515 -13.240 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.278 10.916 -13.684 1.00 0.00 H new ATOM 1724 N ASN A 106 0.829 10.488 -17.436 1.00 0.00 N ATOM 1725 CA ASN A 106 1.780 9.836 -18.327 1.00 0.00 C ATOM 1726 C ASN A 106 2.874 10.825 -18.734 1.00 0.00 C ATOM 1727 O ASN A 106 3.856 10.999 -18.011 1.00 0.00 O ATOM 1728 CB ASN A 106 1.044 9.264 -19.550 1.00 0.00 C ATOM 1729 CG ASN A 106 1.734 8.052 -20.152 1.00 0.00 C ATOM 1730 OD1 ASN A 106 1.080 7.081 -20.533 1.00 0.00 O ATOM 1731 ND2 ASN A 106 3.057 8.101 -20.247 1.00 0.00 N ATOM 0 H ASN A 106 -0.075 10.691 -17.861 1.00 0.00 H new ATOM 0 HA ASN A 106 2.259 9.005 -17.809 1.00 0.00 H new ATOM 0 HB2 ASN A 106 0.030 8.990 -19.260 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.959 10.040 -20.310 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.569 7.315 -20.648 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.562 8.925 -19.919 1.00 0.00 H new ATOM 1738 N ARG A 107 2.704 11.486 -19.880 1.00 0.00 N ATOM 1739 CA ARG A 107 3.677 12.466 -20.348 1.00 0.00 C ATOM 1740 C ARG A 107 3.157 13.902 -20.225 1.00 0.00 C ATOM 1741 O ARG A 107 3.085 14.618 -21.226 1.00 0.00 O ATOM 1742 CB ARG A 107 4.055 12.185 -21.805 1.00 0.00 C ATOM 1743 CG ARG A 107 4.914 10.946 -21.994 1.00 0.00 C ATOM 1744 CD ARG A 107 4.480 10.149 -23.216 1.00 0.00 C ATOM 1745 NE ARG A 107 5.169 10.592 -24.426 1.00 0.00 N ATOM 1746 CZ ARG A 107 4.771 11.617 -25.179 1.00 0.00 C ATOM 1747 NH1 ARG A 107 3.641 12.257 -24.908 1.00 0.00 N ATOM 1748 NH2 ARG A 107 5.498 11.993 -26.223 1.00 0.00 N ATOM 0 H ARG A 107 1.902 11.359 -20.498 1.00 0.00 H new ATOM 0 HA ARG A 107 4.556 12.372 -19.711 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.143 12.075 -22.391 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.588 13.048 -22.204 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.958 11.239 -22.101 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.849 10.317 -21.106 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.681 9.091 -23.050 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.403 10.251 -23.353 1.00 0.00 H new ATOM 0 HE ARG A 107 6.007 10.085 -24.712 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.067 11.966 -24.117 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.346 13.040 -25.491 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.361 11.498 -26.449 1.00 0.00 H new ATOM 0 HH22 ARG A 107 5.194 12.777 -26.800 1.00 0.00 H new ATOM 1762 N PRO A 108 2.788 14.369 -19.016 1.00 0.00 N ATOM 1763 CA PRO A 108 2.292 15.736 -18.845 1.00 0.00 C ATOM 1764 C PRO A 108 3.241 16.768 -19.444 1.00 0.00 C ATOM 1765 O PRO A 108 4.461 16.635 -19.342 1.00 0.00 O ATOM 1766 CB PRO A 108 2.216 15.910 -17.328 1.00 0.00 C ATOM 1767 CG PRO A 108 2.087 14.531 -16.788 1.00 0.00 C ATOM 1768 CD PRO A 108 2.827 13.629 -17.741 1.00 0.00 C ATOM 0 HA PRO A 108 1.338 15.886 -19.350 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.108 16.403 -16.942 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.363 16.526 -17.044 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.509 14.466 -15.785 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.039 14.240 -16.713 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.851 13.451 -17.412 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.346 12.655 -17.827 1.00 0.00 H new ATOM 1776 N ASP A 109 2.677 17.806 -20.057 1.00 0.00 N ATOM 1777 CA ASP A 109 3.480 18.867 -20.659 1.00 0.00 C ATOM 1778 C ASP A 109 3.987 19.842 -19.595 1.00 0.00 C ATOM 1779 O ASP A 109 4.379 20.967 -19.908 1.00 0.00 O ATOM 1780 CB ASP A 109 2.660 19.621 -21.707 1.00 0.00 C ATOM 1781 CG ASP A 109 1.397 20.227 -21.126 1.00 0.00 C ATOM 1782 OD1 ASP A 109 0.371 19.517 -21.066 1.00 0.00 O ATOM 1783 OD2 ASP A 109 1.435 21.411 -20.730 1.00 0.00 O ATOM 0 H ASP A 109 1.669 17.935 -20.150 1.00 0.00 H new ATOM 0 HA ASP A 109 4.342 18.406 -21.142 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.271 20.411 -22.143 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.394 18.940 -22.516 1.00 0.00 H new ATOM 1788 N THR A 110 3.973 19.406 -18.338 1.00 0.00 N ATOM 1789 CA THR A 110 4.423 20.230 -17.226 1.00 0.00 C ATOM 1790 C THR A 110 5.663 19.634 -16.575 1.00 0.00 C ATOM 1791 O THR A 110 6.145 18.576 -16.981 1.00 0.00 O ATOM 1792 CB THR A 110 3.315 20.405 -16.190 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.061 20.025 -16.725 1.00 0.00 O ATOM 1794 CG2 THR A 110 3.196 21.831 -15.696 1.00 0.00 C ATOM 0 H THR A 110 3.651 18.477 -18.065 1.00 0.00 H new ATOM 0 HA THR A 110 4.679 21.212 -17.624 1.00 0.00 H new ATOM 0 HB THR A 110 3.589 19.764 -15.352 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.565 20.825 -16.996 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.393 21.896 -14.962 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.135 22.136 -15.234 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.974 22.490 -16.536 1.00 0.00 H new ATOM 1802 N ARG A 111 6.188 20.334 -15.580 1.00 0.00 N ATOM 1803 CA ARG A 111 7.389 19.895 -14.887 1.00 0.00 C ATOM 1804 C ARG A 111 7.052 18.967 -13.723 1.00 0.00 C ATOM 1805 O ARG A 111 6.514 19.394 -12.701 1.00 0.00 O ATOM 1806 CB ARG A 111 8.151 21.115 -14.374 1.00 0.00 C ATOM 1807 CG ARG A 111 9.592 21.178 -14.846 1.00 0.00 C ATOM 1808 CD ARG A 111 10.530 21.564 -13.715 1.00 0.00 C ATOM 1809 NE ARG A 111 11.528 20.529 -13.461 1.00 0.00 N ATOM 1810 CZ ARG A 111 12.839 20.700 -13.624 1.00 0.00 C ATOM 1811 NH1 ARG A 111 13.323 21.865 -14.039 1.00 0.00 N ATOM 1812 NH2 ARG A 111 13.670 19.698 -13.372 1.00 0.00 N ATOM 0 H ARG A 111 5.799 21.211 -15.234 1.00 0.00 H new ATOM 0 HA ARG A 111 8.008 19.338 -15.590 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.633 22.018 -14.697 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.135 21.110 -13.284 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.887 20.210 -15.250 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.680 21.902 -15.656 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.032 22.500 -13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.952 21.742 -12.808 1.00 0.00 H new ATOM 0 HE ARG A 111 11.201 19.618 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 111 12.689 22.639 -14.236 1.00 0.00 H new ATOM 0 HH12 ARG A 111 14.329 21.985 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.305 18.800 -13.055 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.674 19.825 -13.496 1.00 0.00 H new ATOM 1826 N ILE A 112 7.380 17.689 -13.897 1.00 0.00 N ATOM 1827 CA ILE A 112 7.125 16.677 -12.881 1.00 0.00 C ATOM 1828 C ILE A 112 8.421 16.266 -12.182 1.00 0.00 C ATOM 1829 O ILE A 112 9.482 16.211 -12.804 1.00 0.00 O ATOM 1830 CB ILE A 112 6.469 15.425 -13.500 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.244 15.816 -14.332 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.086 14.435 -12.413 1.00 0.00 C ATOM 1833 CD1 ILE A 112 5.420 15.573 -15.816 1.00 0.00 C ATOM 0 H ILE A 112 7.827 17.330 -14.741 1.00 0.00 H new ATOM 0 HA ILE A 112 6.445 17.116 -12.151 1.00 0.00 H new ATOM 0 HB ILE A 112 7.192 14.946 -14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.380 15.252 -13.979 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.025 16.871 -14.168 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.625 13.558 -12.866 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.978 14.133 -11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.380 14.903 -11.727 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.514 15.872 -16.344 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.264 16.158 -16.183 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.609 14.514 -15.991 1.00 0.00 H new ATOM 1845 N ILE A 113 8.326 15.976 -10.887 1.00 0.00 N ATOM 1846 CA ILE A 113 9.489 15.567 -10.102 1.00 0.00 C ATOM 1847 C ILE A 113 9.105 14.505 -9.074 1.00 0.00 C ATOM 1848 O ILE A 113 8.147 14.683 -8.328 1.00 0.00 O ATOM 1849 CB ILE A 113 10.120 16.767 -9.362 1.00 0.00 C ATOM 1850 CG1 ILE A 113 9.072 17.478 -8.499 1.00 0.00 C ATOM 1851 CG2 ILE A 113 10.742 17.740 -10.353 1.00 0.00 C ATOM 1852 CD1 ILE A 113 9.668 18.376 -7.436 1.00 0.00 C ATOM 0 H ILE A 113 7.455 16.017 -10.358 1.00 0.00 H new ATOM 0 HA ILE A 113 10.216 15.156 -10.802 1.00 0.00 H new ATOM 0 HB ILE A 113 10.907 16.391 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.426 18.073 -9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.441 16.730 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.181 18.579 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.518 17.231 -10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.973 18.109 -11.032 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.867 18.845 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.292 17.783 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.275 19.147 -7.910 1.00 0.00 H new ATOM 1864 N ARG A 114 9.854 13.404 -9.030 1.00 0.00 N ATOM 1865 CA ARG A 114 9.569 12.335 -8.075 1.00 0.00 C ATOM 1866 C ARG A 114 10.809 11.971 -7.264 1.00 0.00 C ATOM 1867 O ARG A 114 11.843 11.608 -7.823 1.00 0.00 O ATOM 1868 CB ARG A 114 9.027 11.091 -8.785 1.00 0.00 C ATOM 1869 CG ARG A 114 7.886 10.421 -8.034 1.00 0.00 C ATOM 1870 CD ARG A 114 7.918 8.915 -8.163 1.00 0.00 C ATOM 1871 NE ARG A 114 6.572 8.357 -8.298 1.00 0.00 N ATOM 1872 CZ ARG A 114 5.878 8.362 -9.431 1.00 0.00 C ATOM 1873 NH1 ARG A 114 6.378 8.935 -10.517 1.00 0.00 N ATOM 1874 NH2 ARG A 114 4.676 7.804 -9.476 1.00 0.00 N ATOM 0 H ARG A 114 10.654 13.230 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 114 8.806 12.708 -7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 114 8.683 11.370 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.837 10.374 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 114 7.938 10.694 -6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.935 10.795 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.517 8.636 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.405 8.485 -7.288 1.00 0.00 H new ATOM 0 HE ARG A 114 6.141 7.939 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.298 9.374 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.842 8.937 -11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.283 7.370 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.144 7.808 -10.346 1.00 0.00 H new ATOM 1888 N GLU A 115 10.695 12.066 -5.941 1.00 0.00 N ATOM 1889 CA GLU A 115 11.807 11.740 -5.056 1.00 0.00 C ATOM 1890 C GLU A 115 11.403 10.690 -4.023 1.00 0.00 C ATOM 1891 O GLU A 115 10.328 10.768 -3.427 1.00 0.00 O ATOM 1892 CB GLU A 115 12.320 13.000 -4.348 1.00 0.00 C ATOM 1893 CG GLU A 115 11.312 13.632 -3.399 1.00 0.00 C ATOM 1894 CD GLU A 115 11.973 14.481 -2.329 1.00 0.00 C ATOM 1895 OE1 GLU A 115 13.189 14.745 -2.445 1.00 0.00 O ATOM 1896 OE2 GLU A 115 11.275 14.884 -1.374 1.00 0.00 O ATOM 0 H GLU A 115 9.846 12.365 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 115 12.607 11.327 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.221 12.748 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.606 13.736 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.618 14.249 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.724 12.847 -2.923 1.00 0.00 H new ATOM 1903 N GLY A 116 12.277 9.709 -3.815 1.00 0.00 N ATOM 1904 CA GLY A 116 12.004 8.658 -2.850 1.00 0.00 C ATOM 1905 C GLY A 116 11.608 7.342 -3.494 1.00 0.00 C ATOM 1906 O GLY A 116 11.003 6.487 -2.847 1.00 0.00 O ATOM 0 H GLY A 116 13.171 9.623 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.889 8.501 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.205 8.984 -2.184 1.00 0.00 H new ATOM 1910 N ARG A 117 11.954 7.171 -4.766 1.00 0.00 N ATOM 1911 CA ARG A 117 11.636 5.943 -5.489 1.00 0.00 C ATOM 1912 C ARG A 117 10.139 5.637 -5.432 1.00 0.00 C ATOM 1913 O ARG A 117 9.712 4.673 -4.795 1.00 0.00 O ATOM 1914 CB ARG A 117 12.437 4.771 -4.916 1.00 0.00 C ATOM 1915 CG ARG A 117 13.085 3.900 -5.980 1.00 0.00 C ATOM 1916 CD ARG A 117 14.457 3.412 -5.542 1.00 0.00 C ATOM 1917 NE ARG A 117 14.394 2.098 -4.905 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.685 1.870 -3.624 1.00 0.00 C ATOM 1919 NH1 ARG A 117 15.053 2.865 -2.825 1.00 0.00 N ATOM 1920 NH2 ARG A 117 14.605 0.639 -3.139 1.00 0.00 N ATOM 0 H ARG A 117 12.455 7.867 -5.318 1.00 0.00 H new ATOM 0 HA ARG A 117 11.910 6.087 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.212 5.160 -4.255 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.777 4.154 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 117 12.444 3.044 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.178 4.465 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 117 15.118 3.364 -6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 117 14.893 4.131 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 117 14.109 1.304 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.115 3.816 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 117 15.273 2.679 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 117 14.321 -0.131 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.827 0.461 -2.159 1.00 0.00 H new ATOM 1934 N ILE A 118 9.349 6.462 -6.108 1.00 0.00 N ATOM 1935 CA ILE A 118 7.902 6.285 -6.144 1.00 0.00 C ATOM 1936 C ILE A 118 7.279 6.506 -4.769 1.00 0.00 C ATOM 1937 O ILE A 118 6.644 5.611 -4.209 1.00 0.00 O ATOM 1938 CB ILE A 118 7.512 4.890 -6.681 1.00 0.00 C ATOM 1939 CG1 ILE A 118 8.283 4.587 -7.971 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.009 4.821 -6.931 1.00 0.00 C ATOM 1941 CD1 ILE A 118 8.615 3.122 -8.151 1.00 0.00 C ATOM 0 H ILE A 118 9.687 7.263 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 118 7.510 7.038 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 118 7.773 4.140 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.694 4.924 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.208 5.163 -7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 118 5.748 3.833 -7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 118 5.476 5.005 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.727 5.576 -7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.160 2.985 -9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.231 2.784 -7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.693 2.541 -8.180 1.00 0.00 H new ATOM 1953 N SER A 119 7.467 7.712 -4.230 1.00 0.00 N ATOM 1954 CA SER A 119 6.925 8.058 -2.919 1.00 0.00 C ATOM 1955 C SER A 119 6.459 9.517 -2.868 1.00 0.00 C ATOM 1956 O SER A 119 5.375 9.810 -2.364 1.00 0.00 O ATOM 1957 CB SER A 119 7.968 7.798 -1.830 1.00 0.00 C ATOM 1958 OG SER A 119 8.918 8.849 -1.765 1.00 0.00 O ATOM 0 H SER A 119 7.990 8.463 -4.682 1.00 0.00 H new ATOM 0 HA SER A 119 6.056 7.425 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.471 7.694 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.478 6.856 -2.030 1.00 0.00 H new ATOM 0 HG SER A 119 9.451 8.758 -0.948 1.00 0.00 H new ATOM 1964 N LEU A 120 7.281 10.431 -3.387 1.00 0.00 N ATOM 1965 CA LEU A 120 6.940 11.856 -3.389 1.00 0.00 C ATOM 1966 C LEU A 120 7.047 12.444 -4.795 1.00 0.00 C ATOM 1967 O LEU A 120 7.890 12.025 -5.581 1.00 0.00 O ATOM 1968 CB LEU A 120 7.867 12.626 -2.447 1.00 0.00 C ATOM 1969 CG LEU A 120 7.612 12.406 -0.954 1.00 0.00 C ATOM 1970 CD1 LEU A 120 8.838 11.803 -0.286 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.227 13.714 -0.280 1.00 0.00 C ATOM 0 H LEU A 120 8.183 10.212 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 120 5.910 11.951 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.897 12.346 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.773 13.691 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 120 6.783 11.706 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.638 11.654 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.071 10.844 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.686 12.478 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.050 13.538 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.035 14.436 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.320 14.107 -0.739 1.00 0.00 H new ATOM 1983 N LEU A 121 6.199 13.426 -5.100 1.00 0.00 N ATOM 1984 CA LEU A 121 6.219 14.070 -6.414 1.00 0.00 C ATOM 1985 C LEU A 121 5.303 15.289 -6.441 1.00 0.00 C ATOM 1986 O LEU A 121 4.430 15.436 -5.588 1.00 0.00 O ATOM 1987 CB LEU A 121 5.795 13.072 -7.499 1.00 0.00 C ATOM 1988 CG LEU A 121 5.631 13.649 -8.914 1.00 0.00 C ATOM 1989 CD1 LEU A 121 6.255 12.729 -9.954 1.00 0.00 C ATOM 1990 CD2 LEU A 121 4.160 13.885 -9.227 1.00 0.00 C ATOM 0 H LEU A 121 5.494 13.791 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 121 7.238 14.403 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.533 12.271 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.849 12.620 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 121 6.152 14.605 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.125 13.161 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.318 12.612 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.769 11.754 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.063 14.294 -10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.619 12.941 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.743 14.590 -8.507 1.00 0.00 H new ATOM 2002 N LYS A 122 5.508 16.158 -7.432 1.00 0.00 N ATOM 2003 CA LYS A 122 4.695 17.362 -7.582 1.00 0.00 C ATOM 2004 C LYS A 122 3.839 17.286 -8.845 1.00 0.00 C ATOM 2005 O LYS A 122 4.319 16.894 -9.909 1.00 0.00 O ATOM 2006 CB LYS A 122 5.580 18.612 -7.626 1.00 0.00 C ATOM 2007 CG LYS A 122 5.296 19.584 -6.493 1.00 0.00 C ATOM 2008 CD LYS A 122 5.191 21.021 -6.977 1.00 0.00 C ATOM 2009 CE LYS A 122 4.730 21.941 -5.857 1.00 0.00 C ATOM 2010 NZ LYS A 122 5.067 23.365 -6.124 1.00 0.00 N ATOM 0 H LYS A 122 6.231 16.049 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 122 4.035 17.429 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.627 18.310 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.433 19.121 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.367 19.301 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.088 19.511 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.159 21.354 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.491 21.078 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.652 21.843 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.192 21.630 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.734 23.954 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.098 23.466 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.605 23.672 -7.004 1.00 0.00 H new ATOM 2024 N CYS A 123 2.575 17.679 -8.722 1.00 0.00 N ATOM 2025 CA CYS A 123 1.652 17.672 -9.851 1.00 0.00 C ATOM 2026 C CYS A 123 0.923 19.007 -9.950 1.00 0.00 C ATOM 2027 O CYS A 123 -0.280 19.060 -10.207 1.00 0.00 O ATOM 2028 CB CYS A 123 0.640 16.532 -9.716 1.00 0.00 C ATOM 2029 SG CYS A 123 1.304 14.907 -10.149 1.00 0.00 S ATOM 0 H CYS A 123 2.165 18.008 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 123 2.231 17.517 -10.762 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.275 16.503 -8.689 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.219 16.744 -10.353 1.00 0.00 H new ATOM 2034 N GLU A 124 1.671 20.084 -9.740 1.00 0.00 N ATOM 2035 CA GLU A 124 1.123 21.438 -9.797 1.00 0.00 C ATOM 2036 C GLU A 124 0.214 21.622 -11.010 1.00 0.00 C ATOM 2037 O GLU A 124 -0.794 22.324 -10.940 1.00 0.00 O ATOM 2038 CB GLU A 124 2.262 22.460 -9.836 1.00 0.00 C ATOM 2039 CG GLU A 124 3.448 22.017 -10.680 1.00 0.00 C ATOM 2040 CD GLU A 124 4.171 23.180 -11.329 1.00 0.00 C ATOM 2041 OE1 GLU A 124 3.496 24.157 -11.713 1.00 0.00 O ATOM 2042 OE2 GLU A 124 5.412 23.111 -11.453 1.00 0.00 O ATOM 0 H GLU A 124 2.668 20.047 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 124 0.522 21.596 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.880 23.403 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.602 22.652 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.148 21.463 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.102 21.332 -11.454 1.00 0.00 H new ATOM 2049 N ALA A 125 0.575 20.985 -12.117 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.213 21.079 -13.340 1.00 0.00 C ATOM 2051 C ALA A 125 -1.567 20.407 -13.167 1.00 0.00 C ATOM 2052 O ALA A 125 -2.591 21.076 -13.022 1.00 0.00 O ATOM 2053 CB ALA A 125 0.542 20.453 -14.505 1.00 0.00 C ATOM 0 H ALA A 125 1.406 20.399 -12.193 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.381 22.134 -13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -0.058 20.530 -15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.487 20.977 -14.650 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.739 19.403 -14.289 1.00 0.00 H new ATOM 2059 N CYS A 126 -1.564 19.079 -13.181 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.787 18.303 -13.026 1.00 0.00 C ATOM 2061 C CYS A 126 -3.217 18.251 -11.560 1.00 0.00 C ATOM 2062 O CYS A 126 -3.448 17.174 -11.009 1.00 0.00 O ATOM 2063 CB CYS A 126 -2.574 16.887 -13.563 1.00 0.00 C ATOM 2064 SG CYS A 126 -1.311 15.949 -12.671 1.00 0.00 S ATOM 0 H CYS A 126 -0.722 18.515 -13.299 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.579 18.788 -13.596 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.518 16.344 -13.514 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.294 16.946 -14.615 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.323 19.420 -10.933 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.724 19.484 -9.540 1.00 0.00 C ATOM 2071 C GLY A 127 -2.582 19.863 -8.619 1.00 0.00 C ATOM 2072 O GLY A 127 -1.953 20.906 -8.793 1.00 0.00 O ATOM 0 H GLY A 127 -3.138 20.325 -11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.529 20.210 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.124 18.517 -9.237 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.317 19.011 -7.635 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.247 19.253 -6.675 1.00 0.00 C ATOM 2078 C ALA A 128 -0.690 17.939 -6.145 1.00 0.00 C ATOM 2079 O ALA A 128 -1.386 16.924 -6.120 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.748 20.120 -5.530 1.00 0.00 C ATOM 0 H ALA A 128 -2.831 18.143 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.442 19.783 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.937 20.292 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.095 21.076 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.571 19.615 -5.024 1.00 0.00 H new ATOM 2086 N LYS A 129 0.569 17.962 -5.731 1.00 0.00 N ATOM 2087 CA LYS A 129 1.225 16.771 -5.210 1.00 0.00 C ATOM 2088 C LYS A 129 2.332 17.152 -4.231 1.00 0.00 C ATOM 2089 O LYS A 129 2.885 18.246 -4.311 1.00 0.00 O ATOM 2090 CB LYS A 129 1.789 15.944 -6.366 1.00 0.00 C ATOM 2091 CG LYS A 129 1.521 14.454 -6.244 1.00 0.00 C ATOM 2092 CD LYS A 129 0.144 14.090 -6.778 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.225 12.657 -6.435 1.00 0.00 C ATOM 2094 NZ LYS A 129 -0.490 12.483 -4.980 1.00 0.00 N ATOM 0 H LYS A 129 1.158 18.795 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 129 0.491 16.171 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.361 16.305 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.865 16.106 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.283 13.900 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.598 14.154 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.600 14.768 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.125 14.223 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.109 12.364 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.583 11.992 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.962 11.570 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.409 12.504 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.103 13.253 -4.644 1.00 0.00 H new ATOM 2108 N ALA A 130 2.637 16.252 -3.302 1.00 0.00 N ATOM 2109 CA ALA A 130 3.669 16.503 -2.298 1.00 0.00 C ATOM 2110 C ALA A 130 5.068 16.172 -2.826 1.00 0.00 C ATOM 2111 O ALA A 130 5.445 15.003 -2.907 1.00 0.00 O ATOM 2112 CB ALA A 130 3.378 15.694 -1.042 1.00 0.00 C ATOM 0 H ALA A 130 2.185 15.341 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 130 3.650 17.566 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.151 15.886 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.407 15.984 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.367 14.632 -1.288 1.00 0.00 H new ATOM 2118 N PRO A 131 5.863 17.200 -3.191 1.00 0.00 N ATOM 2119 CA PRO A 131 7.223 17.000 -3.707 1.00 0.00 C ATOM 2120 C PRO A 131 8.200 16.550 -2.630 1.00 0.00 C ATOM 2121 O PRO A 131 8.910 15.558 -2.795 1.00 0.00 O ATOM 2122 CB PRO A 131 7.620 18.384 -4.221 1.00 0.00 C ATOM 2123 CG PRO A 131 6.792 19.341 -3.435 1.00 0.00 C ATOM 2124 CD PRO A 131 5.501 18.630 -3.130 1.00 0.00 C ATOM 0 HA PRO A 131 7.249 16.217 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 131 8.684 18.569 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.425 18.479 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 131 7.302 19.633 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 131 6.609 20.254 -4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.116 18.904 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.727 18.878 -3.856 1.00 0.00 H new ATOM 2132 N LEU A 132 8.240 17.295 -1.532 1.00 0.00 N ATOM 2133 CA LEU A 132 9.139 16.983 -0.431 1.00 0.00 C ATOM 2134 C LEU A 132 8.549 17.444 0.897 1.00 0.00 C ATOM 2135 O LEU A 132 7.424 17.939 0.949 1.00 0.00 O ATOM 2136 CB LEU A 132 10.499 17.646 -0.659 1.00 0.00 C ATOM 2137 CG LEU A 132 10.453 19.161 -0.870 1.00 0.00 C ATOM 2138 CD1 LEU A 132 11.693 19.820 -0.286 1.00 0.00 C ATOM 2139 CD2 LEU A 132 10.317 19.490 -2.351 1.00 0.00 C ATOM 0 H LEU A 132 7.659 18.120 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 132 9.271 15.902 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 132 11.138 17.433 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 132 10.969 17.187 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 132 9.580 19.554 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.642 20.897 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.745 19.614 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.582 19.422 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 132 10.286 20.572 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 132 11.170 19.083 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 132 9.398 19.051 -2.738 1.00 0.00 H new ATOM 2151 N LYS A 133 9.316 17.275 1.967 1.00 0.00 N ATOM 2152 CA LYS A 133 8.871 17.674 3.296 1.00 0.00 C ATOM 2153 C LYS A 133 8.645 19.180 3.367 1.00 0.00 C ATOM 2154 O LYS A 133 9.502 19.966 2.964 1.00 0.00 O ATOM 2155 CB LYS A 133 9.895 17.245 4.345 1.00 0.00 C ATOM 2156 CG LYS A 133 9.611 15.878 4.944 1.00 0.00 C ATOM 2157 CD LYS A 133 9.181 15.980 6.400 1.00 0.00 C ATOM 2158 CE LYS A 133 9.975 15.031 7.282 1.00 0.00 C ATOM 2159 NZ LYS A 133 9.283 13.724 7.453 1.00 0.00 N ATOM 0 H LYS A 133 10.249 16.864 1.940 1.00 0.00 H new ATOM 0 HA LYS A 133 7.922 17.178 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 133 10.886 17.236 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 133 9.917 17.986 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 133 8.829 15.383 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.503 15.256 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 133 9.317 17.003 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.118 15.753 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 133 10.960 14.866 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 133 10.133 15.489 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.856 13.105 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.354 13.878 7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 9.155 13.275 6.524 1.00 0.00 H new ATOM 2173 N ASN A 134 7.487 19.575 3.886 1.00 0.00 N ATOM 2174 CA ASN A 134 7.149 20.987 4.014 1.00 0.00 C ATOM 2175 C ASN A 134 7.898 21.620 5.183 1.00 0.00 C ATOM 2176 O ASN A 134 8.645 20.947 5.892 1.00 0.00 O ATOM 2177 CB ASN A 134 5.639 21.155 4.207 1.00 0.00 C ATOM 2178 CG ASN A 134 4.951 21.670 2.957 1.00 0.00 C ATOM 2179 OD1 ASN A 134 5.128 22.824 2.567 1.00 0.00 O ATOM 2180 ND2 ASN A 134 4.158 20.814 2.323 1.00 0.00 N ATOM 0 H ASN A 134 6.767 18.937 4.225 1.00 0.00 H new ATOM 0 HA ASN A 134 7.449 21.494 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 134 5.203 20.197 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 134 5.455 21.845 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.667 21.104 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.040 19.866 2.682 1.00 0.00 H new ATOM 2187 N VAL A 135 7.692 22.918 5.377 1.00 0.00 N ATOM 2188 CA VAL A 135 8.348 23.643 6.459 1.00 0.00 C ATOM 2189 C VAL A 135 7.322 24.259 7.406 1.00 0.00 C ATOM 2190 O VAL A 135 6.115 24.199 7.088 1.00 0.00 O ATOM 2191 CB VAL A 135 9.267 24.753 5.914 1.00 0.00 C ATOM 2192 CG1 VAL A 135 9.990 25.461 7.051 1.00 0.00 C ATOM 2193 CG2 VAL A 135 10.262 24.181 4.913 1.00 0.00 C ATOM 2194 OXT VAL A 135 7.734 24.794 8.455 1.00 0.00 O ATOM 0 H VAL A 135 7.076 23.490 4.799 1.00 0.00 H new ATOM 0 HA VAL A 135 8.954 22.921 7.006 1.00 0.00 H new ATOM 0 HB VAL A 135 8.648 25.487 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 135 10.633 26.241 6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 135 9.259 25.909 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 135 10.596 24.741 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 135 10.902 24.980 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 135 10.875 23.423 5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 135 9.722 23.729 4.081 1.00 0.00 H new TER 2204 VAL A 135 HETATM 2205 ZN ZN A 136 -0.064 14.172 -11.864 1.00 0.00 ZN