USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 69 GLN : amide:sc= -7.96! C(o=-11!,f=-6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -3.02! C(o=-11!,f=-4.9!) USER MOD Set 2.1: A 50 CYS SG : rot -75:sc= -0.792 USER MOD Set 2.2: A 54 MET CE :methyl -154:sc= -1.32 (180deg=-2.18) USER MOD Set 2.3: A 87 MET CE :methyl -164:sc= 0 (180deg=-0.521) USER MOD Set 3.1: A 44 CYS SG : rot -157:sc= -0.266 USER MOD Set 3.2: A 71 ASN : amide:sc= -1.31! C(o=-1.6!,f=-6.7!) USER MOD Single : A 18 SER OG : rot 34:sc= 0.0609 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.775 K(o=-0.78,f=-8.1!) USER MOD Single : A 49 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.4) USER MOD Single : A 51 MET CE :methyl 145:sc= -0.304 (180deg=-1.51) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 173:sc= -2.05 USER MOD Single : A 61 MET CE :methyl -151:sc= -0.254 (180deg=-1.41!) USER MOD Single : A 67 SER OG : rot 89:sc= 1.16 USER MOD Single : A 68 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.61) USER MOD Single : A 72 MET CE :methyl -173:sc=-0.00177 (180deg=-0.0335) USER MOD Single : A 77 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-6.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 18 -17.168 0.540 0.115 1.00 0.00 N ATOM 2 CA SER A 18 -16.112 -0.128 -0.697 1.00 0.00 C ATOM 3 C SER A 18 -16.203 -1.635 -0.501 1.00 0.00 C ATOM 4 O SER A 18 -16.788 -2.114 0.474 1.00 0.00 O ATOM 5 CB SER A 18 -14.737 0.373 -0.253 1.00 0.00 C ATOM 6 OG SER A 18 -14.636 1.764 -0.525 1.00 0.00 O ATOM 0 HA SER A 18 -16.255 0.106 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.596 0.187 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.952 -0.170 -0.778 1.00 0.00 H new ATOM 0 HG SER A 18 -15.514 2.184 -0.410 1.00 0.00 H new ATOM 11 N LEU A 19 -15.621 -2.385 -1.433 1.00 0.00 N ATOM 12 CA LEU A 19 -15.646 -3.842 -1.354 1.00 0.00 C ATOM 13 C LEU A 19 -14.315 -4.373 -0.830 1.00 0.00 C ATOM 14 O LEU A 19 -13.249 -3.976 -1.300 1.00 0.00 O ATOM 15 CB LEU A 19 -15.920 -4.434 -2.737 1.00 0.00 C ATOM 16 CG LEU A 19 -17.237 -3.872 -3.280 1.00 0.00 C ATOM 17 CD1 LEU A 19 -17.479 -4.414 -4.690 1.00 0.00 C ATOM 18 CD2 LEU A 19 -18.390 -4.294 -2.367 1.00 0.00 C ATOM 0 H LEU A 19 -15.130 -2.012 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.439 -4.136 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.102 -4.194 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.974 -5.521 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 19 -17.181 -2.784 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.416 -4.015 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.659 -4.112 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.534 -5.502 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -19.327 -3.893 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.447 -5.382 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.219 -3.908 -1.362 1.00 0.00 H new ATOM 30 N ARG A 20 -14.387 -5.270 0.147 1.00 0.00 N ATOM 31 CA ARG A 20 -13.182 -5.848 0.728 1.00 0.00 C ATOM 32 C ARG A 20 -12.605 -6.922 -0.195 1.00 0.00 C ATOM 33 O ARG A 20 -13.333 -7.557 -0.956 1.00 0.00 O ATOM 34 CB ARG A 20 -13.500 -6.461 2.092 1.00 0.00 C ATOM 35 CG ARG A 20 -13.454 -5.369 3.165 1.00 0.00 C ATOM 36 CD ARG A 20 -14.079 -5.895 4.456 1.00 0.00 C ATOM 37 NE ARG A 20 -13.345 -7.060 4.934 1.00 0.00 N ATOM 38 CZ ARG A 20 -13.444 -7.462 6.197 1.00 0.00 C ATOM 39 NH1 ARG A 20 -14.208 -6.814 7.033 1.00 0.00 N ATOM 40 NH2 ARG A 20 -12.777 -8.509 6.603 1.00 0.00 N ATOM 0 H ARG A 20 -15.260 -5.610 0.550 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.444 -5.055 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.486 -6.926 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.782 -7.247 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.423 -5.065 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.992 -4.485 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.071 -5.114 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.122 -6.160 4.282 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.746 -7.575 4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.731 -5.997 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.282 -7.125 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.180 -9.018 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.853 -8.818 7.572 1.00 0.00 H new ATOM 54 N PRO A 21 -11.319 -7.126 -0.131 1.00 0.00 N ATOM 55 CA PRO A 21 -10.620 -8.142 -0.970 1.00 0.00 C ATOM 56 C PRO A 21 -11.077 -9.565 -0.658 1.00 0.00 C ATOM 57 O PRO A 21 -11.008 -10.448 -1.512 1.00 0.00 O ATOM 58 CB PRO A 21 -9.142 -7.951 -0.614 1.00 0.00 C ATOM 59 CG PRO A 21 -9.138 -7.287 0.722 1.00 0.00 C ATOM 60 CD PRO A 21 -10.384 -6.413 0.755 1.00 0.00 C ATOM 0 HA PRO A 21 -10.829 -8.008 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.620 -8.907 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.635 -7.338 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.156 -8.024 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.237 -6.689 0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.781 -6.316 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.178 -5.405 0.396 1.00 0.00 H new ATOM 68 N GLU A 22 -11.534 -9.779 0.571 1.00 0.00 N ATOM 69 CA GLU A 22 -11.995 -11.099 0.984 1.00 0.00 C ATOM 70 C GLU A 22 -13.337 -11.426 0.339 1.00 0.00 C ATOM 71 O GLU A 22 -13.569 -12.553 -0.098 1.00 0.00 O ATOM 72 CB GLU A 22 -12.128 -11.153 2.507 1.00 0.00 C ATOM 73 CG GLU A 22 -10.752 -10.958 3.148 1.00 0.00 C ATOM 74 CD GLU A 22 -9.847 -12.137 2.810 1.00 0.00 C ATOM 75 OE1 GLU A 22 -10.374 -13.185 2.477 1.00 0.00 O ATOM 76 OE2 GLU A 22 -8.640 -11.974 2.888 1.00 0.00 O ATOM 0 H GLU A 22 -11.595 -9.062 1.293 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.262 -11.837 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.814 -10.378 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.550 -12.110 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.304 -10.031 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.855 -10.867 4.229 1.00 0.00 H new ATOM 83 N GLU A 23 -14.218 -10.435 0.290 1.00 0.00 N ATOM 84 CA GLU A 23 -15.539 -10.625 -0.302 1.00 0.00 C ATOM 85 C GLU A 23 -15.433 -10.768 -1.817 1.00 0.00 C ATOM 86 O GLU A 23 -16.191 -11.514 -2.435 1.00 0.00 O ATOM 87 CB GLU A 23 -16.444 -9.443 0.043 1.00 0.00 C ATOM 88 CG GLU A 23 -16.729 -9.436 1.547 1.00 0.00 C ATOM 89 CD GLU A 23 -17.560 -8.212 1.914 1.00 0.00 C ATOM 90 OE1 GLU A 23 -17.877 -7.445 1.020 1.00 0.00 O ATOM 91 OE2 GLU A 23 -17.868 -8.059 3.084 1.00 0.00 O ATOM 0 H GLU A 23 -14.045 -9.497 0.650 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.970 -11.539 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.966 -8.508 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.378 -9.513 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.261 -10.345 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.792 -9.430 2.103 1.00 0.00 H new ATOM 98 N ILE A 24 -14.488 -10.044 -2.408 1.00 0.00 N ATOM 99 CA ILE A 24 -14.289 -10.095 -3.851 1.00 0.00 C ATOM 100 C ILE A 24 -13.896 -11.504 -4.287 1.00 0.00 C ATOM 101 O ILE A 24 -14.062 -11.873 -5.449 1.00 0.00 O ATOM 102 CB ILE A 24 -13.208 -9.104 -4.269 1.00 0.00 C ATOM 103 CG1 ILE A 24 -13.738 -7.675 -4.119 1.00 0.00 C ATOM 104 CG2 ILE A 24 -12.816 -9.351 -5.727 1.00 0.00 C ATOM 105 CD1 ILE A 24 -12.582 -6.683 -4.259 1.00 0.00 C ATOM 0 H ILE A 24 -13.852 -9.419 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.227 -9.826 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.333 -9.237 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.496 -7.476 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.219 -7.554 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.043 -8.641 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.435 -10.367 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.690 -9.222 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.960 -5.666 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.840 -6.877 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.121 -6.797 -5.240 1.00 0.00 H new ATOM 117 N GLU A 25 -13.364 -12.278 -3.350 1.00 0.00 N ATOM 118 CA GLU A 25 -12.952 -13.646 -3.648 1.00 0.00 C ATOM 119 C GLU A 25 -14.168 -14.508 -3.980 1.00 0.00 C ATOM 120 O GLU A 25 -14.091 -15.411 -4.812 1.00 0.00 O ATOM 121 CB GLU A 25 -12.210 -14.242 -2.450 1.00 0.00 C ATOM 122 CG GLU A 25 -11.744 -15.658 -2.792 1.00 0.00 C ATOM 123 CD GLU A 25 -10.901 -16.218 -1.652 1.00 0.00 C ATOM 124 OE1 GLU A 25 -10.885 -15.606 -0.597 1.00 0.00 O ATOM 125 OE2 GLU A 25 -10.283 -17.251 -1.850 1.00 0.00 O ATOM 0 H GLU A 25 -13.208 -11.987 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.286 -13.627 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.354 -13.618 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.863 -14.263 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.606 -16.301 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.162 -15.646 -3.714 1.00 0.00 H new ATOM 132 N GLU A 26 -15.284 -14.229 -3.315 1.00 0.00 N ATOM 133 CA GLU A 26 -16.509 -14.987 -3.547 1.00 0.00 C ATOM 134 C GLU A 26 -17.093 -14.656 -4.917 1.00 0.00 C ATOM 135 O GLU A 26 -17.822 -15.456 -5.500 1.00 0.00 O ATOM 136 CB GLU A 26 -17.534 -14.663 -2.460 1.00 0.00 C ATOM 137 CG GLU A 26 -17.008 -15.133 -1.101 1.00 0.00 C ATOM 138 CD GLU A 26 -16.981 -16.657 -1.049 1.00 0.00 C ATOM 139 OE1 GLU A 26 -17.507 -17.270 -1.964 1.00 0.00 O ATOM 140 OE2 GLU A 26 -16.444 -17.188 -0.091 1.00 0.00 O ATOM 0 H GLU A 26 -15.366 -13.490 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.269 -16.050 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.726 -13.590 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.482 -15.152 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.006 -14.738 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.641 -14.745 -0.303 1.00 0.00 H new ATOM 147 N LEU A 27 -16.774 -13.469 -5.420 1.00 0.00 N ATOM 148 CA LEU A 27 -17.278 -13.039 -6.718 1.00 0.00 C ATOM 149 C LEU A 27 -16.723 -13.923 -7.830 1.00 0.00 C ATOM 150 O LEU A 27 -17.434 -14.280 -8.769 1.00 0.00 O ATOM 151 CB LEU A 27 -16.883 -11.586 -6.978 1.00 0.00 C ATOM 152 CG LEU A 27 -17.525 -10.685 -5.917 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.070 -9.238 -6.131 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.049 -10.766 -6.027 1.00 0.00 C ATOM 0 H LEU A 27 -16.172 -12.791 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.365 -13.125 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.798 -11.482 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.207 -11.282 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.218 -11.018 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.527 -8.598 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.985 -9.182 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.374 -8.904 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.503 -10.125 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.360 -10.436 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.371 -11.795 -5.870 1.00 0.00 H new ATOM 166 N ARG A 28 -15.445 -14.272 -7.715 1.00 0.00 N ATOM 167 CA ARG A 28 -14.800 -15.109 -8.720 1.00 0.00 C ATOM 168 C ARG A 28 -15.513 -16.449 -8.841 1.00 0.00 C ATOM 169 O ARG A 28 -15.612 -17.017 -9.930 1.00 0.00 O ATOM 170 CB ARG A 28 -13.334 -15.339 -8.349 1.00 0.00 C ATOM 171 CG ARG A 28 -12.549 -14.036 -8.524 1.00 0.00 C ATOM 172 CD ARG A 28 -11.066 -14.356 -8.722 1.00 0.00 C ATOM 173 NE ARG A 28 -10.581 -15.194 -7.633 1.00 0.00 N ATOM 174 CZ ARG A 28 -10.103 -14.660 -6.512 1.00 0.00 C ATOM 175 NH1 ARG A 28 -10.065 -13.362 -6.377 1.00 0.00 N ATOM 176 NH2 ARG A 28 -9.672 -15.430 -5.554 1.00 0.00 N ATOM 0 H ARG A 28 -14.840 -13.991 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.854 -14.595 -9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.259 -15.685 -7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.907 -16.120 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.930 -13.482 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.681 -13.399 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.921 -14.865 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.490 -13.432 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.608 -16.209 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.401 -12.761 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.699 -12.949 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.701 -16.444 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.306 -15.019 -4.695 1.00 0.00 H new ATOM 190 N GLU A 29 -16.010 -16.951 -7.716 1.00 0.00 N ATOM 191 CA GLU A 29 -16.716 -18.228 -7.707 1.00 0.00 C ATOM 192 C GLU A 29 -17.956 -18.157 -8.594 1.00 0.00 C ATOM 193 O GLU A 29 -18.278 -19.112 -9.303 1.00 0.00 O ATOM 194 CB GLU A 29 -17.130 -18.587 -6.278 1.00 0.00 C ATOM 195 CG GLU A 29 -15.880 -18.868 -5.442 1.00 0.00 C ATOM 196 CD GLU A 29 -16.276 -19.185 -4.004 1.00 0.00 C ATOM 197 OE1 GLU A 29 -17.465 -19.231 -3.734 1.00 0.00 O ATOM 198 OE2 GLU A 29 -15.385 -19.380 -3.194 1.00 0.00 O ATOM 0 H GLU A 29 -15.938 -16.498 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.046 -18.996 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.700 -17.769 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.780 -19.462 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.327 -19.705 -5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.216 -18.004 -5.463 1.00 0.00 H new ATOM 205 N ALA A 30 -18.647 -17.022 -8.549 1.00 0.00 N ATOM 206 CA ALA A 30 -19.845 -16.840 -9.358 1.00 0.00 C ATOM 207 C ALA A 30 -19.490 -16.759 -10.840 1.00 0.00 C ATOM 208 O ALA A 30 -20.055 -17.476 -11.663 1.00 0.00 O ATOM 209 CB ALA A 30 -20.567 -15.555 -8.940 1.00 0.00 C ATOM 0 H ALA A 30 -18.400 -16.222 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.498 -17.698 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.462 -15.426 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.850 -15.622 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.904 -14.702 -9.084 1.00 0.00 H new ATOM 215 N PHE A 31 -18.534 -15.896 -11.166 1.00 0.00 N ATOM 216 CA PHE A 31 -18.119 -15.727 -12.555 1.00 0.00 C ATOM 217 C PHE A 31 -17.813 -17.080 -13.189 1.00 0.00 C ATOM 218 O PHE A 31 -18.304 -17.389 -14.276 1.00 0.00 O ATOM 219 CB PHE A 31 -16.866 -14.844 -12.618 1.00 0.00 C ATOM 220 CG PHE A 31 -16.703 -14.298 -14.017 1.00 0.00 C ATOM 221 CD1 PHE A 31 -17.327 -13.097 -14.377 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.931 -14.995 -14.954 1.00 0.00 C ATOM 223 CE1 PHE A 31 -17.177 -12.594 -15.673 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.781 -14.490 -16.251 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.404 -13.289 -16.611 1.00 0.00 C ATOM 0 H PHE A 31 -18.036 -15.309 -10.497 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.932 -15.253 -13.104 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.950 -14.025 -11.904 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.986 -15.423 -12.337 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -17.923 -12.560 -13.654 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.451 -15.922 -14.676 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.658 -11.668 -15.951 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -15.185 -15.027 -16.974 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.288 -12.899 -17.611 1.00 0.00 H new ATOM 235 N ARG A 32 -17.012 -17.884 -12.503 1.00 0.00 N ATOM 236 CA ARG A 32 -16.655 -19.205 -13.008 1.00 0.00 C ATOM 237 C ARG A 32 -17.884 -20.106 -13.067 1.00 0.00 C ATOM 238 O ARG A 32 -18.028 -20.915 -13.982 1.00 0.00 O ATOM 239 CB ARG A 32 -15.589 -19.838 -12.108 1.00 0.00 C ATOM 240 CG ARG A 32 -14.195 -19.504 -12.648 1.00 0.00 C ATOM 241 CD ARG A 32 -13.957 -17.997 -12.544 1.00 0.00 C ATOM 242 NE ARG A 32 -12.654 -17.654 -13.100 1.00 0.00 N ATOM 243 CZ ARG A 32 -12.180 -16.415 -13.024 1.00 0.00 C ATOM 244 NH1 ARG A 32 -12.884 -15.480 -12.445 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.009 -16.132 -13.528 1.00 0.00 N ATOM 0 H ARG A 32 -16.599 -17.648 -11.601 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.255 -19.094 -14.016 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.693 -19.468 -11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.726 -20.919 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.435 -20.043 -12.082 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.108 -19.826 -13.686 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.741 -17.460 -13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.009 -17.684 -11.501 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.097 -18.377 -13.555 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.798 -15.701 -12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.519 -14.529 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.458 -16.862 -13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.645 -15.181 -13.470 1.00 0.00 H new ATOM 259 N GLU A 33 -18.757 -19.969 -12.077 1.00 0.00 N ATOM 260 CA GLU A 33 -19.964 -20.783 -12.020 1.00 0.00 C ATOM 261 C GLU A 33 -20.871 -20.482 -13.203 1.00 0.00 C ATOM 262 O GLU A 33 -21.701 -21.307 -13.591 1.00 0.00 O ATOM 263 CB GLU A 33 -20.717 -20.510 -10.714 1.00 0.00 C ATOM 264 CG GLU A 33 -21.922 -21.448 -10.614 1.00 0.00 C ATOM 265 CD GLU A 33 -22.634 -21.244 -9.281 1.00 0.00 C ATOM 266 OE1 GLU A 33 -22.069 -20.579 -8.427 1.00 0.00 O ATOM 267 OE2 GLU A 33 -23.732 -21.751 -9.133 1.00 0.00 O ATOM 0 H GLU A 33 -18.653 -19.307 -11.308 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.673 -21.833 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.054 -20.660 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.047 -19.472 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.611 -21.257 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.595 -22.484 -10.706 1.00 0.00 H new ATOM 274 N PHE A 34 -20.715 -19.291 -13.776 1.00 0.00 N ATOM 275 CA PHE A 34 -21.532 -18.883 -14.912 1.00 0.00 C ATOM 276 C PHE A 34 -20.701 -18.835 -16.188 1.00 0.00 C ATOM 277 O PHE A 34 -21.200 -18.469 -17.251 1.00 0.00 O ATOM 278 CB PHE A 34 -22.145 -17.505 -14.644 1.00 0.00 C ATOM 279 CG PHE A 34 -23.259 -17.635 -13.631 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.468 -18.238 -13.997 1.00 0.00 C ATOM 281 CD2 PHE A 34 -23.083 -17.150 -12.330 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.501 -18.358 -13.059 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.115 -17.270 -11.394 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.325 -17.873 -11.757 1.00 0.00 C ATOM 0 H PHE A 34 -20.033 -18.596 -13.473 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.327 -19.617 -15.044 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.381 -16.821 -14.274 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.530 -17.080 -15.571 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.604 -18.610 -15.002 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.150 -16.683 -12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.434 -18.825 -13.340 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.978 -16.897 -10.390 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.122 -17.964 -11.034 1.00 0.00 H new ATOM 294 N ASP A 35 -19.431 -19.206 -16.074 1.00 0.00 N ATOM 295 CA ASP A 35 -18.539 -19.206 -17.227 1.00 0.00 C ATOM 296 C ASP A 35 -18.936 -20.309 -18.205 1.00 0.00 C ATOM 297 O ASP A 35 -18.159 -21.228 -18.470 1.00 0.00 O ATOM 298 CB ASP A 35 -17.096 -19.423 -16.774 1.00 0.00 C ATOM 299 CG ASP A 35 -16.169 -19.462 -17.983 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.671 -19.407 -19.093 1.00 0.00 O ATOM 301 OD2 ASP A 35 -14.968 -19.547 -17.783 1.00 0.00 O ATOM 0 H ASP A 35 -18.998 -19.509 -15.201 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.620 -18.240 -17.726 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.794 -18.622 -16.100 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.018 -20.356 -16.216 1.00 0.00 H new ATOM 306 N LYS A 36 -20.148 -20.211 -18.744 1.00 0.00 N ATOM 307 CA LYS A 36 -20.634 -21.204 -19.694 1.00 0.00 C ATOM 308 C LYS A 36 -20.162 -20.872 -21.105 1.00 0.00 C ATOM 309 O LYS A 36 -20.940 -20.404 -21.937 1.00 0.00 O ATOM 310 CB LYS A 36 -22.163 -21.252 -19.665 1.00 0.00 C ATOM 311 CG LYS A 36 -22.631 -21.840 -18.334 1.00 0.00 C ATOM 312 CD LYS A 36 -24.159 -21.909 -18.315 1.00 0.00 C ATOM 313 CE LYS A 36 -24.630 -22.484 -16.979 1.00 0.00 C ATOM 314 NZ LYS A 36 -26.117 -22.563 -16.968 1.00 0.00 N ATOM 0 H LYS A 36 -20.807 -19.459 -18.540 1.00 0.00 H new ATOM 0 HA LYS A 36 -20.234 -22.177 -19.408 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -22.571 -20.250 -19.795 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -22.534 -21.857 -20.492 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -22.210 -22.836 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -22.274 -21.226 -17.507 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -24.580 -20.914 -18.463 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -24.515 -22.531 -19.136 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.202 -23.475 -16.826 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -24.283 -21.856 -16.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.437 -22.954 -16.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -26.516 -21.611 -17.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.438 -23.179 -17.742 1.00 0.00 H new ATOM 328 N ASP A 37 -18.881 -21.116 -21.368 1.00 0.00 N ATOM 329 CA ASP A 37 -18.313 -20.840 -22.682 1.00 0.00 C ATOM 330 C ASP A 37 -16.792 -20.953 -22.642 1.00 0.00 C ATOM 331 O ASP A 37 -16.159 -21.283 -23.646 1.00 0.00 O ATOM 332 CB ASP A 37 -18.713 -19.435 -23.137 1.00 0.00 C ATOM 333 CG ASP A 37 -18.777 -18.499 -21.935 1.00 0.00 C ATOM 334 OD1 ASP A 37 -18.154 -18.810 -20.933 1.00 0.00 O ATOM 335 OD2 ASP A 37 -19.449 -17.485 -22.033 1.00 0.00 O ATOM 0 H ASP A 37 -18.221 -21.502 -20.693 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.701 -21.574 -23.388 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.992 -19.060 -23.863 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.681 -19.467 -23.636 1.00 0.00 H new ATOM 340 N LYS A 38 -16.214 -20.668 -21.482 1.00 0.00 N ATOM 341 CA LYS A 38 -14.766 -20.738 -21.332 1.00 0.00 C ATOM 342 C LYS A 38 -14.067 -19.943 -22.427 1.00 0.00 C ATOM 343 O LYS A 38 -13.009 -20.344 -22.919 1.00 0.00 O ATOM 344 CB LYS A 38 -14.303 -22.194 -21.374 1.00 0.00 C ATOM 345 CG LYS A 38 -13.202 -22.422 -20.332 1.00 0.00 C ATOM 346 CD LYS A 38 -11.959 -21.620 -20.726 1.00 0.00 C ATOM 347 CE LYS A 38 -10.843 -21.885 -19.714 1.00 0.00 C ATOM 348 NZ LYS A 38 -9.624 -21.121 -20.107 1.00 0.00 N ATOM 0 H LYS A 38 -16.718 -20.389 -20.640 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.503 -20.304 -20.368 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.145 -22.858 -21.178 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.930 -22.438 -22.369 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.550 -22.115 -19.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.959 -23.483 -20.268 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.632 -21.902 -21.727 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.193 -20.556 -20.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.165 -21.589 -18.716 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.620 -22.951 -19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.865 -21.301 -19.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.314 -21.424 -21.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.842 -20.104 -20.124 1.00 0.00 H new ATOM 362 N ASP A 39 -14.660 -18.821 -22.807 1.00 0.00 N ATOM 363 CA ASP A 39 -14.074 -17.968 -23.836 1.00 0.00 C ATOM 364 C ASP A 39 -13.214 -16.884 -23.191 1.00 0.00 C ATOM 365 O ASP A 39 -12.681 -16.009 -23.875 1.00 0.00 O ATOM 366 CB ASP A 39 -15.179 -17.310 -24.665 1.00 0.00 C ATOM 367 CG ASP A 39 -16.187 -16.626 -23.747 1.00 0.00 C ATOM 368 OD1 ASP A 39 -16.275 -17.023 -22.597 1.00 0.00 O ATOM 369 OD2 ASP A 39 -16.855 -15.716 -24.208 1.00 0.00 O ATOM 0 H ASP A 39 -15.541 -18.480 -22.423 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.452 -18.584 -24.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.745 -16.581 -25.349 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -15.682 -18.060 -25.275 1.00 0.00 H new ATOM 374 N GLY A 40 -13.081 -16.948 -21.868 1.00 0.00 N ATOM 375 CA GLY A 40 -12.294 -15.963 -21.136 1.00 0.00 C ATOM 376 C GLY A 40 -13.204 -14.945 -20.455 1.00 0.00 C ATOM 377 O GLY A 40 -12.861 -14.395 -19.408 1.00 0.00 O ATOM 0 H GLY A 40 -13.506 -17.669 -21.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.678 -16.464 -20.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.615 -15.452 -21.819 1.00 0.00 H new ATOM 381 N TYR A 41 -14.368 -14.700 -21.054 1.00 0.00 N ATOM 382 CA TYR A 41 -15.311 -13.736 -20.498 1.00 0.00 C ATOM 383 C TYR A 41 -16.740 -14.124 -20.851 1.00 0.00 C ATOM 384 O TYR A 41 -16.973 -14.942 -21.743 1.00 0.00 O ATOM 385 CB TYR A 41 -15.014 -12.338 -21.050 1.00 0.00 C ATOM 386 CG TYR A 41 -13.528 -12.194 -21.290 1.00 0.00 C ATOM 387 CD1 TYR A 41 -12.663 -11.955 -20.217 1.00 0.00 C ATOM 388 CD2 TYR A 41 -13.019 -12.303 -22.590 1.00 0.00 C ATOM 389 CE1 TYR A 41 -11.287 -11.825 -20.443 1.00 0.00 C ATOM 390 CE2 TYR A 41 -11.644 -12.172 -22.815 1.00 0.00 C ATOM 391 CZ TYR A 41 -10.778 -11.933 -21.743 1.00 0.00 C ATOM 392 OH TYR A 41 -9.423 -11.804 -21.964 1.00 0.00 O ATOM 0 H TYR A 41 -14.677 -15.151 -21.915 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.201 -13.732 -19.414 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.560 -12.179 -21.980 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.355 -11.578 -20.347 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.056 -11.871 -19.215 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.687 -12.488 -23.418 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.619 -11.641 -19.615 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.251 -12.256 -23.818 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.236 -11.907 -22.921 1.00 0.00 H new ATOM 402 N ILE A 42 -17.699 -13.529 -20.154 1.00 0.00 N ATOM 403 CA ILE A 42 -19.111 -13.809 -20.402 1.00 0.00 C ATOM 404 C ILE A 42 -19.782 -12.607 -21.056 1.00 0.00 C ATOM 405 O ILE A 42 -19.115 -11.703 -21.546 1.00 0.00 O ATOM 406 CB ILE A 42 -19.819 -14.142 -19.090 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.659 -12.975 -18.112 1.00 0.00 C ATOM 408 CG2 ILE A 42 -19.206 -15.403 -18.481 1.00 0.00 C ATOM 409 CD1 ILE A 42 -20.391 -13.297 -16.809 1.00 0.00 C ATOM 0 H ILE A 42 -17.527 -12.850 -19.413 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.182 -14.664 -21.074 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.878 -14.312 -19.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.602 -12.796 -17.913 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -20.060 -12.061 -18.551 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.713 -15.638 -17.545 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.321 -16.235 -19.175 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.146 -15.236 -18.288 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -20.277 -12.466 -16.113 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.450 -13.455 -17.016 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.969 -14.200 -16.368 1.00 0.00 H new ATOM 421 N ASN A 43 -21.111 -12.614 -21.074 1.00 0.00 N ATOM 422 CA ASN A 43 -21.867 -11.516 -21.669 1.00 0.00 C ATOM 423 C ASN A 43 -23.163 -11.276 -20.903 1.00 0.00 C ATOM 424 O ASN A 43 -23.408 -11.895 -19.866 1.00 0.00 O ATOM 425 CB ASN A 43 -22.176 -11.819 -23.130 1.00 0.00 C ATOM 426 CG ASN A 43 -22.779 -13.215 -23.252 1.00 0.00 C ATOM 427 OD1 ASN A 43 -23.012 -13.881 -22.245 1.00 0.00 O ATOM 428 ND2 ASN A 43 -23.043 -13.699 -24.435 1.00 0.00 N ATOM 0 H ASN A 43 -21.685 -13.363 -20.686 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.258 -10.613 -21.614 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.870 -11.077 -23.526 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.265 -11.753 -23.725 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.444 -14.632 -24.526 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.848 -13.144 -25.268 1.00 0.00 H new ATOM 435 N CYS A 44 -23.993 -10.376 -21.421 1.00 0.00 N ATOM 436 CA CYS A 44 -25.258 -10.053 -20.771 1.00 0.00 C ATOM 437 C CYS A 44 -26.222 -11.225 -20.845 1.00 0.00 C ATOM 438 O CYS A 44 -27.438 -11.038 -20.930 1.00 0.00 O ATOM 439 CB CYS A 44 -25.885 -8.823 -21.435 1.00 0.00 C ATOM 440 SG CYS A 44 -25.711 -8.959 -23.230 1.00 0.00 S ATOM 0 H CYS A 44 -23.814 -9.861 -22.283 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.058 -9.838 -19.721 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.938 -8.747 -21.165 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.398 -7.915 -21.079 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.787 -7.776 -23.764 1.00 0.00 H new ATOM 446 N ARG A 45 -25.678 -12.437 -20.823 1.00 0.00 N ATOM 447 CA ARG A 45 -26.504 -13.634 -20.887 1.00 0.00 C ATOM 448 C ARG A 45 -26.867 -14.114 -19.488 1.00 0.00 C ATOM 449 O ARG A 45 -28.020 -14.022 -19.066 1.00 0.00 O ATOM 450 CB ARG A 45 -25.757 -14.746 -21.631 1.00 0.00 C ATOM 451 CG ARG A 45 -26.670 -15.964 -21.780 1.00 0.00 C ATOM 452 CD ARG A 45 -25.967 -17.028 -22.627 1.00 0.00 C ATOM 453 NE ARG A 45 -24.778 -17.513 -21.941 1.00 0.00 N ATOM 454 CZ ARG A 45 -23.969 -18.402 -22.509 1.00 0.00 C ATOM 455 NH1 ARG A 45 -24.239 -18.858 -23.703 1.00 0.00 N ATOM 456 NH2 ARG A 45 -22.908 -18.821 -21.875 1.00 0.00 N ATOM 0 H ARG A 45 -24.675 -12.615 -20.762 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.421 -13.389 -21.423 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.442 -14.393 -22.613 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -24.854 -15.020 -21.085 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.916 -16.369 -20.799 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -27.610 -15.672 -22.249 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.648 -17.857 -22.820 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.692 -16.609 -23.595 1.00 0.00 H new ATOM 0 HE ARG A 45 -24.562 -17.164 -21.007 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -25.069 -18.532 -24.198 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -23.620 -19.540 -24.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -22.698 -18.466 -20.942 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.289 -19.503 -22.313 1.00 0.00 H new ATOM 470 N ASP A 46 -25.876 -14.629 -18.768 1.00 0.00 N ATOM 471 CA ASP A 46 -26.097 -15.130 -17.415 1.00 0.00 C ATOM 472 C ASP A 46 -25.699 -14.083 -16.381 1.00 0.00 C ATOM 473 O ASP A 46 -25.874 -14.285 -15.182 1.00 0.00 O ATOM 474 CB ASP A 46 -25.294 -16.411 -17.194 1.00 0.00 C ATOM 475 CG ASP A 46 -25.837 -17.528 -18.078 1.00 0.00 C ATOM 476 OD1 ASP A 46 -26.902 -17.346 -18.644 1.00 0.00 O ATOM 477 OD2 ASP A 46 -25.177 -18.550 -18.179 1.00 0.00 O ATOM 0 H ASP A 46 -24.914 -14.711 -19.097 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.159 -15.347 -17.297 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.243 -16.235 -17.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.348 -16.707 -16.146 1.00 0.00 H new ATOM 482 N LEU A 47 -25.145 -12.968 -16.857 1.00 0.00 N ATOM 483 CA LEU A 47 -24.714 -11.909 -15.961 1.00 0.00 C ATOM 484 C LEU A 47 -25.834 -11.523 -14.999 1.00 0.00 C ATOM 485 O LEU A 47 -25.641 -11.506 -13.784 1.00 0.00 O ATOM 486 CB LEU A 47 -24.295 -10.678 -16.775 1.00 0.00 C ATOM 487 CG LEU A 47 -23.846 -9.565 -15.827 1.00 0.00 C ATOM 488 CD1 LEU A 47 -22.589 -8.890 -16.384 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.962 -8.523 -15.694 1.00 0.00 C ATOM 0 H LEU A 47 -24.988 -12.781 -17.847 1.00 0.00 H new ATOM 0 HA LEU A 47 -23.866 -12.274 -15.382 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.485 -10.938 -17.456 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.128 -10.334 -17.388 1.00 0.00 H new ATOM 0 HG LEU A 47 -23.627 -9.993 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.271 -8.097 -15.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -21.792 -9.627 -16.479 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.808 -8.464 -17.363 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.641 -7.730 -15.018 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -25.182 -8.098 -16.673 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.858 -8.999 -15.296 1.00 0.00 H new ATOM 501 N GLY A 48 -27.006 -11.221 -15.550 1.00 0.00 N ATOM 502 CA GLY A 48 -28.147 -10.844 -14.729 1.00 0.00 C ATOM 503 C GLY A 48 -28.576 -12.004 -13.835 1.00 0.00 C ATOM 504 O GLY A 48 -28.937 -11.806 -12.675 1.00 0.00 O ATOM 0 H GLY A 48 -27.188 -11.230 -16.554 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -27.890 -9.981 -14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -28.978 -10.544 -15.368 1.00 0.00 H new ATOM 508 N ASN A 49 -28.530 -13.211 -14.382 1.00 0.00 N ATOM 509 CA ASN A 49 -28.925 -14.397 -13.630 1.00 0.00 C ATOM 510 C ASN A 49 -28.021 -14.590 -12.419 1.00 0.00 C ATOM 511 O ASN A 49 -28.438 -15.134 -11.398 1.00 0.00 O ATOM 512 CB ASN A 49 -28.852 -15.636 -14.528 1.00 0.00 C ATOM 513 CG ASN A 49 -29.185 -16.886 -13.721 1.00 0.00 C ATOM 514 OD1 ASN A 49 -29.846 -16.801 -12.686 1.00 0.00 O ATOM 515 ND2 ASN A 49 -28.764 -18.051 -14.135 1.00 0.00 N ATOM 0 H ASN A 49 -28.225 -13.396 -15.338 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.950 -14.259 -13.285 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.549 -15.534 -15.360 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -27.854 -15.726 -14.957 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -28.983 -18.892 -13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.216 -18.120 -14.993 1.00 0.00 H new ATOM 522 N CYS A 50 -26.774 -14.150 -12.546 1.00 0.00 N ATOM 523 CA CYS A 50 -25.809 -14.287 -11.459 1.00 0.00 C ATOM 524 C CYS A 50 -26.229 -13.460 -10.250 1.00 0.00 C ATOM 525 O CYS A 50 -25.899 -13.792 -9.114 1.00 0.00 O ATOM 526 CB CYS A 50 -24.423 -13.851 -11.936 1.00 0.00 C ATOM 527 SG CYS A 50 -24.198 -12.083 -11.607 1.00 0.00 S ATOM 0 H CYS A 50 -26.408 -13.698 -13.384 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.775 -15.335 -11.160 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.653 -14.428 -11.424 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.315 -14.050 -13.002 1.00 0.00 H new ATOM 0 HG CYS A 50 -24.873 -11.391 -12.476 1.00 0.00 H new ATOM 533 N MET A 51 -26.948 -12.374 -10.509 1.00 0.00 N ATOM 534 CA MET A 51 -27.391 -11.490 -9.433 1.00 0.00 C ATOM 535 C MET A 51 -28.291 -12.249 -8.466 1.00 0.00 C ATOM 536 O MET A 51 -28.206 -12.064 -7.251 1.00 0.00 O ATOM 537 CB MET A 51 -28.158 -10.301 -10.019 1.00 0.00 C ATOM 538 CG MET A 51 -27.225 -9.485 -10.914 1.00 0.00 C ATOM 539 SD MET A 51 -25.903 -8.759 -9.914 1.00 0.00 S ATOM 540 CE MET A 51 -26.846 -7.351 -9.279 1.00 0.00 C ATOM 0 H MET A 51 -27.235 -12.085 -11.444 1.00 0.00 H new ATOM 0 HA MET A 51 -26.515 -11.127 -8.895 1.00 0.00 H new ATOM 0 HB2 MET A 51 -29.014 -10.654 -10.594 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.549 -9.675 -9.217 1.00 0.00 H new ATOM 0 HG2 MET A 51 -26.800 -10.122 -11.689 1.00 0.00 H new ATOM 0 HG3 MET A 51 -27.786 -8.699 -11.419 1.00 0.00 H new ATOM 0 HE1 MET A 51 -26.532 -7.134 -8.258 1.00 0.00 H new ATOM 0 HE2 MET A 51 -26.665 -6.479 -9.908 1.00 0.00 H new ATOM 0 HE3 MET A 51 -27.909 -7.591 -9.288 1.00 0.00 H new ATOM 550 N ARG A 52 -29.144 -13.105 -9.006 1.00 0.00 N ATOM 551 CA ARG A 52 -30.055 -13.893 -8.176 1.00 0.00 C ATOM 552 C ARG A 52 -29.264 -14.778 -7.214 1.00 0.00 C ATOM 553 O ARG A 52 -29.671 -14.983 -6.069 1.00 0.00 O ATOM 554 CB ARG A 52 -30.942 -14.772 -9.060 1.00 0.00 C ATOM 555 CG ARG A 52 -31.925 -13.889 -9.830 1.00 0.00 C ATOM 556 CD ARG A 52 -32.782 -14.760 -10.750 1.00 0.00 C ATOM 557 NE ARG A 52 -33.704 -13.929 -11.515 1.00 0.00 N ATOM 558 CZ ARG A 52 -34.639 -14.473 -12.289 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.744 -15.771 -12.370 1.00 0.00 N ATOM 560 NH2 ARG A 52 -35.452 -13.709 -12.965 1.00 0.00 N ATOM 0 H ARG A 52 -29.228 -13.275 -10.008 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.679 -13.208 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -30.328 -15.344 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -31.485 -15.492 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.561 -13.342 -9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -31.382 -13.147 -10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.142 -15.325 -11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.340 -15.486 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.631 -12.913 -11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.109 -16.368 -11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.461 -16.189 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -35.371 -12.694 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -36.169 -14.126 -13.559 1.00 0.00 H new ATOM 574 N THR A 53 -28.144 -15.297 -7.684 1.00 0.00 N ATOM 575 CA THR A 53 -27.292 -16.151 -6.851 1.00 0.00 C ATOM 576 C THR A 53 -26.699 -15.353 -5.692 1.00 0.00 C ATOM 577 O THR A 53 -26.681 -15.814 -4.551 1.00 0.00 O ATOM 578 CB THR A 53 -26.167 -16.756 -7.689 1.00 0.00 C ATOM 579 OG1 THR A 53 -26.726 -17.590 -8.694 1.00 0.00 O ATOM 580 CG2 THR A 53 -25.245 -17.580 -6.792 1.00 0.00 C ATOM 0 H THR A 53 -27.798 -15.148 -8.632 1.00 0.00 H new ATOM 0 HA THR A 53 -27.908 -16.954 -6.446 1.00 0.00 H new ATOM 0 HB THR A 53 -25.592 -15.957 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 53 -26.043 -18.213 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 53 -24.443 -18.011 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 53 -24.817 -16.938 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 53 -25.816 -18.380 -6.321 1.00 0.00 H new ATOM 588 N MET A 54 -26.210 -14.156 -5.996 1.00 0.00 N ATOM 589 CA MET A 54 -25.624 -13.295 -4.976 1.00 0.00 C ATOM 590 C MET A 54 -26.702 -12.783 -4.026 1.00 0.00 C ATOM 591 O MET A 54 -26.418 -12.020 -3.101 1.00 0.00 O ATOM 592 CB MET A 54 -24.907 -12.115 -5.628 1.00 0.00 C ATOM 593 CG MET A 54 -23.653 -12.613 -6.350 1.00 0.00 C ATOM 594 SD MET A 54 -22.716 -11.197 -6.976 1.00 0.00 S ATOM 595 CE MET A 54 -23.865 -10.728 -8.293 1.00 0.00 C ATOM 0 H MET A 54 -26.208 -13.761 -6.936 1.00 0.00 H new ATOM 0 HA MET A 54 -24.902 -13.880 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.572 -11.617 -6.334 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.635 -11.378 -4.872 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.036 -13.198 -5.668 1.00 0.00 H new ATOM 0 HG3 MET A 54 -23.931 -13.271 -7.173 1.00 0.00 H new ATOM 0 HE1 MET A 54 -23.322 -10.207 -9.081 1.00 0.00 H new ATOM 0 HE2 MET A 54 -24.331 -11.623 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 54 -24.635 -10.072 -7.887 1.00 0.00 H new ATOM 605 N GLY A 55 -27.940 -13.199 -4.266 1.00 0.00 N ATOM 606 CA GLY A 55 -29.052 -12.782 -3.420 1.00 0.00 C ATOM 607 C GLY A 55 -29.171 -11.264 -3.385 1.00 0.00 C ATOM 608 O GLY A 55 -29.743 -10.697 -2.453 1.00 0.00 O ATOM 0 H GLY A 55 -28.198 -13.820 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -29.980 -13.215 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -28.907 -13.163 -2.409 1.00 0.00 H new ATOM 612 N TYR A 56 -28.629 -10.611 -4.404 1.00 0.00 N ATOM 613 CA TYR A 56 -28.678 -9.154 -4.480 1.00 0.00 C ATOM 614 C TYR A 56 -30.124 -8.674 -4.565 1.00 0.00 C ATOM 615 O TYR A 56 -30.386 -7.479 -4.706 1.00 0.00 O ATOM 616 CB TYR A 56 -27.903 -8.667 -5.707 1.00 0.00 C ATOM 617 CG TYR A 56 -27.894 -7.156 -5.733 1.00 0.00 C ATOM 618 CD1 TYR A 56 -27.028 -6.446 -4.893 1.00 0.00 C ATOM 619 CD2 TYR A 56 -28.753 -6.465 -6.597 1.00 0.00 C ATOM 620 CE1 TYR A 56 -27.019 -5.047 -4.917 1.00 0.00 C ATOM 621 CE2 TYR A 56 -28.744 -5.065 -6.621 1.00 0.00 C ATOM 622 CZ TYR A 56 -27.876 -4.356 -5.781 1.00 0.00 C ATOM 623 OH TYR A 56 -27.868 -2.976 -5.806 1.00 0.00 O ATOM 0 H TYR A 56 -28.153 -11.062 -5.185 1.00 0.00 H new ATOM 0 HA TYR A 56 -28.222 -8.745 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -26.882 -9.047 -5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.362 -9.054 -6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -26.366 -6.978 -4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -29.422 -7.012 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -26.350 -4.500 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -29.406 -4.532 -7.287 1.00 0.00 H new ATOM 0 HH TYR A 56 -28.522 -2.657 -6.462 1.00 0.00 H new ATOM 633 N MET A 57 -31.059 -9.614 -4.484 1.00 0.00 N ATOM 634 CA MET A 57 -32.477 -9.276 -4.558 1.00 0.00 C ATOM 635 C MET A 57 -32.757 -8.410 -5.786 1.00 0.00 C ATOM 636 O MET A 57 -33.364 -7.345 -5.680 1.00 0.00 O ATOM 637 CB MET A 57 -32.903 -8.529 -3.295 1.00 0.00 C ATOM 638 CG MET A 57 -32.183 -9.125 -2.083 1.00 0.00 C ATOM 639 SD MET A 57 -32.955 -8.514 -0.564 1.00 0.00 S ATOM 640 CE MET A 57 -31.491 -8.626 0.495 1.00 0.00 C ATOM 0 H MET A 57 -30.864 -10.608 -4.368 1.00 0.00 H new ATOM 0 HA MET A 57 -33.049 -10.200 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.665 -7.469 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 57 -33.982 -8.602 -3.163 1.00 0.00 H new ATOM 0 HG2 MET A 57 -32.232 -10.213 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.128 -8.852 -2.103 1.00 0.00 H new ATOM 0 HE1 MET A 57 -31.743 -8.291 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.147 -9.660 0.532 1.00 0.00 H new ATOM 0 HE3 MET A 57 -30.700 -7.995 0.090 1.00 0.00 H new ATOM 650 N PRO A 58 -32.318 -8.848 -6.933 1.00 0.00 N ATOM 651 CA PRO A 58 -32.516 -8.104 -8.208 1.00 0.00 C ATOM 652 C PRO A 58 -33.982 -8.051 -8.627 1.00 0.00 C ATOM 653 O PRO A 58 -34.688 -9.059 -8.568 1.00 0.00 O ATOM 654 CB PRO A 58 -31.683 -8.895 -9.222 1.00 0.00 C ATOM 655 CG PRO A 58 -31.591 -10.275 -8.664 1.00 0.00 C ATOM 656 CD PRO A 58 -31.595 -10.114 -7.142 1.00 0.00 C ATOM 0 HA PRO A 58 -32.214 -7.060 -8.122 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -32.157 -8.898 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -30.694 -8.455 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.431 -10.886 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -30.682 -10.773 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.096 -10.948 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -30.583 -10.069 -6.740 1.00 0.00 H new ATOM 664 N THR A 59 -34.429 -6.878 -9.058 1.00 0.00 N ATOM 665 CA THR A 59 -35.813 -6.711 -9.490 1.00 0.00 C ATOM 666 C THR A 59 -35.973 -7.157 -10.939 1.00 0.00 C ATOM 667 O THR A 59 -35.155 -7.913 -11.461 1.00 0.00 O ATOM 668 CB THR A 59 -36.228 -5.244 -9.357 1.00 0.00 C ATOM 669 OG1 THR A 59 -35.288 -4.426 -10.034 1.00 0.00 O ATOM 670 CG2 THR A 59 -36.276 -4.858 -7.878 1.00 0.00 C ATOM 0 H THR A 59 -33.860 -6.034 -9.118 1.00 0.00 H new ATOM 0 HA THR A 59 -36.452 -7.327 -8.857 1.00 0.00 H new ATOM 0 HB THR A 59 -37.215 -5.103 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 59 -35.610 -3.500 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 59 -36.572 -3.813 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 59 -37.000 -5.488 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 59 -35.291 -4.998 -7.433 1.00 0.00 H new ATOM 678 N GLU A 60 -37.041 -6.695 -11.582 1.00 0.00 N ATOM 679 CA GLU A 60 -37.294 -7.043 -12.973 1.00 0.00 C ATOM 680 C GLU A 60 -36.603 -6.059 -13.912 1.00 0.00 C ATOM 681 O GLU A 60 -36.056 -6.447 -14.943 1.00 0.00 O ATOM 682 CB GLU A 60 -38.799 -7.045 -13.247 1.00 0.00 C ATOM 683 CG GLU A 60 -39.451 -8.215 -12.507 1.00 0.00 C ATOM 684 CD GLU A 60 -40.966 -8.170 -12.693 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.432 -7.270 -13.372 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.634 -9.035 -12.154 1.00 0.00 O ATOM 0 H GLU A 60 -37.741 -6.082 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 60 -36.891 -8.039 -13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.240 -6.103 -12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -38.984 -7.129 -14.318 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.058 -9.159 -12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.205 -8.168 -11.446 1.00 0.00 H new ATOM 693 N MET A 61 -36.641 -4.782 -13.552 1.00 0.00 N ATOM 694 CA MET A 61 -36.022 -3.745 -14.370 1.00 0.00 C ATOM 695 C MET A 61 -34.516 -3.709 -14.138 1.00 0.00 C ATOM 696 O MET A 61 -33.756 -3.284 -15.005 1.00 0.00 O ATOM 697 CB MET A 61 -36.631 -2.383 -14.036 1.00 0.00 C ATOM 698 CG MET A 61 -38.120 -2.386 -14.388 1.00 0.00 C ATOM 699 SD MET A 61 -38.320 -2.585 -16.176 1.00 0.00 S ATOM 700 CE MET A 61 -37.610 -0.993 -16.662 1.00 0.00 C ATOM 0 H MET A 61 -37.092 -4.440 -12.703 1.00 0.00 H new ATOM 0 HA MET A 61 -36.208 -3.974 -15.419 1.00 0.00 H new ATOM 0 HB2 MET A 61 -36.498 -2.164 -12.977 1.00 0.00 H new ATOM 0 HB3 MET A 61 -36.117 -1.598 -14.591 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.627 -3.196 -13.863 1.00 0.00 H new ATOM 0 HG3 MET A 61 -38.583 -1.455 -14.061 1.00 0.00 H new ATOM 0 HE1 MET A 61 -38.063 -0.663 -17.597 1.00 0.00 H new ATOM 0 HE2 MET A 61 -37.805 -0.255 -15.884 1.00 0.00 H new ATOM 0 HE3 MET A 61 -36.534 -1.101 -16.799 1.00 0.00 H new ATOM 710 N GLU A 62 -34.094 -4.147 -12.955 1.00 0.00 N ATOM 711 CA GLU A 62 -32.677 -4.163 -12.619 1.00 0.00 C ATOM 712 C GLU A 62 -31.928 -5.162 -13.488 1.00 0.00 C ATOM 713 O GLU A 62 -30.758 -4.967 -13.812 1.00 0.00 O ATOM 714 CB GLU A 62 -32.491 -4.515 -11.143 1.00 0.00 C ATOM 715 CG GLU A 62 -32.768 -3.281 -10.281 1.00 0.00 C ATOM 716 CD GLU A 62 -32.809 -3.671 -8.809 1.00 0.00 C ATOM 717 OE1 GLU A 62 -32.560 -4.829 -8.516 1.00 0.00 O ATOM 718 OE2 GLU A 62 -33.094 -2.808 -7.995 1.00 0.00 O ATOM 0 H GLU A 62 -34.710 -4.493 -12.219 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.270 -3.169 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.166 -5.324 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -31.476 -4.872 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -31.994 -2.531 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -33.716 -2.829 -10.572 1.00 0.00 H new ATOM 725 N LEU A 63 -32.611 -6.241 -13.857 1.00 0.00 N ATOM 726 CA LEU A 63 -32.001 -7.270 -14.693 1.00 0.00 C ATOM 727 C LEU A 63 -32.190 -6.939 -16.166 1.00 0.00 C ATOM 728 O LEU A 63 -31.460 -7.432 -17.026 1.00 0.00 O ATOM 729 CB LEU A 63 -32.633 -8.630 -14.386 1.00 0.00 C ATOM 730 CG LEU A 63 -32.416 -8.972 -12.911 1.00 0.00 C ATOM 731 CD1 LEU A 63 -33.144 -10.277 -12.578 1.00 0.00 C ATOM 732 CD2 LEU A 63 -30.919 -9.138 -12.637 1.00 0.00 C ATOM 0 H LEU A 63 -33.579 -6.425 -13.593 1.00 0.00 H new ATOM 0 HA LEU A 63 -30.934 -7.308 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.699 -8.607 -14.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -32.190 -9.400 -15.018 1.00 0.00 H new ATOM 0 HG LEU A 63 -32.810 -8.167 -12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -32.990 -10.522 -11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -34.210 -10.158 -12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -32.751 -11.082 -13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.766 -9.382 -11.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.523 -9.942 -13.257 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -30.401 -8.209 -12.873 1.00 0.00 H new ATOM 744 N ILE A 64 -33.180 -6.099 -16.458 1.00 0.00 N ATOM 745 CA ILE A 64 -33.461 -5.706 -17.833 1.00 0.00 C ATOM 746 C ILE A 64 -32.793 -4.374 -18.151 1.00 0.00 C ATOM 747 O ILE A 64 -32.512 -4.069 -19.309 1.00 0.00 O ATOM 748 CB ILE A 64 -34.969 -5.590 -18.048 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.619 -6.962 -17.851 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.247 -5.095 -19.470 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.139 -6.803 -17.782 1.00 0.00 C ATOM 0 H ILE A 64 -33.798 -5.680 -15.763 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.061 -6.470 -18.500 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.384 -4.883 -17.330 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.349 -7.625 -18.673 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.249 -7.423 -16.935 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.323 -5.013 -19.623 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.784 -4.118 -19.612 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.832 -5.801 -20.189 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.601 -7.780 -17.642 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.399 -6.155 -16.945 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.501 -6.360 -18.710 1.00 0.00 H new ATOM 763 N GLU A 65 -32.544 -3.579 -17.114 1.00 0.00 N ATOM 764 CA GLU A 65 -31.905 -2.283 -17.295 1.00 0.00 C ATOM 765 C GLU A 65 -30.388 -2.434 -17.308 1.00 0.00 C ATOM 766 O GLU A 65 -29.706 -1.853 -18.148 1.00 0.00 O ATOM 767 CB GLU A 65 -32.319 -1.335 -16.167 1.00 0.00 C ATOM 768 CG GLU A 65 -31.711 0.048 -16.411 1.00 0.00 C ATOM 769 CD GLU A 65 -32.166 1.016 -15.324 1.00 0.00 C ATOM 770 OE1 GLU A 65 -32.745 0.558 -14.354 1.00 0.00 O ATOM 771 OE2 GLU A 65 -31.925 2.203 -15.477 1.00 0.00 O ATOM 0 H GLU A 65 -32.774 -3.809 -16.147 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.225 -1.869 -18.251 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -33.406 -1.263 -16.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -31.983 -1.727 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -30.623 -0.020 -16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -32.013 0.420 -17.390 1.00 0.00 H new ATOM 778 N LEU A 66 -29.869 -3.213 -16.367 1.00 0.00 N ATOM 779 CA LEU A 66 -28.431 -3.434 -16.277 1.00 0.00 C ATOM 780 C LEU A 66 -27.939 -4.249 -17.469 1.00 0.00 C ATOM 781 O LEU A 66 -26.888 -3.963 -18.038 1.00 0.00 O ATOM 782 CB LEU A 66 -28.097 -4.170 -14.978 1.00 0.00 C ATOM 783 CG LEU A 66 -28.421 -3.271 -13.783 1.00 0.00 C ATOM 784 CD1 LEU A 66 -28.272 -4.074 -12.487 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.460 -2.081 -13.759 1.00 0.00 C ATOM 0 H LEU A 66 -30.419 -3.700 -15.659 1.00 0.00 H new ATOM 0 HA LEU A 66 -27.931 -2.465 -16.284 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -28.668 -5.096 -14.915 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -27.042 -4.445 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 66 -29.444 -2.906 -13.871 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -28.502 -3.435 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -28.959 -4.920 -12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.249 -4.439 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -27.693 -1.442 -12.907 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -26.435 -2.442 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -27.566 -1.509 -14.681 1.00 0.00 H new ATOM 797 N SER A 67 -28.713 -5.274 -17.840 1.00 0.00 N ATOM 798 CA SER A 67 -28.343 -6.123 -18.958 1.00 0.00 C ATOM 799 C SER A 67 -28.410 -5.344 -20.266 1.00 0.00 C ATOM 800 O SER A 67 -27.394 -5.135 -20.927 1.00 0.00 O ATOM 801 CB SER A 67 -29.285 -7.325 -19.029 1.00 0.00 C ATOM 802 OG SER A 67 -29.185 -8.073 -17.824 1.00 0.00 O ATOM 0 H SER A 67 -29.589 -5.528 -17.383 1.00 0.00 H new ATOM 0 HA SER A 67 -27.320 -6.469 -18.807 1.00 0.00 H new ATOM 0 HB2 SER A 67 -30.311 -6.989 -19.178 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.028 -7.953 -19.882 1.00 0.00 H new ATOM 0 HG SER A 67 -29.825 -7.725 -17.169 1.00 0.00 H new ATOM 808 N GLN A 68 -29.613 -4.909 -20.627 1.00 0.00 N ATOM 809 CA GLN A 68 -29.807 -4.150 -21.862 1.00 0.00 C ATOM 810 C GLN A 68 -28.856 -2.959 -21.900 1.00 0.00 C ATOM 811 O GLN A 68 -28.430 -2.526 -22.971 1.00 0.00 O ATOM 812 CB GLN A 68 -31.249 -3.668 -21.960 1.00 0.00 C ATOM 813 CG GLN A 68 -32.193 -4.871 -21.975 1.00 0.00 C ATOM 814 CD GLN A 68 -31.959 -5.703 -23.232 1.00 0.00 C ATOM 815 OE1 GLN A 68 -31.826 -5.151 -24.325 1.00 0.00 O ATOM 816 NE2 GLN A 68 -31.902 -7.003 -23.143 1.00 0.00 N ATOM 0 H GLN A 68 -30.464 -5.066 -20.088 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.593 -4.800 -22.710 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.484 -3.019 -21.116 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.384 -3.076 -22.865 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -32.029 -5.483 -21.088 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -33.228 -4.532 -21.941 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.012 -7.457 -22.237 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -31.747 -7.565 -23.980 1.00 0.00 H new ATOM 825 N GLN A 69 -28.521 -2.426 -20.719 1.00 0.00 N ATOM 826 CA GLN A 69 -27.590 -1.311 -20.629 1.00 0.00 C ATOM 827 C GLN A 69 -26.222 -1.738 -21.181 1.00 0.00 C ATOM 828 O GLN A 69 -25.614 -1.018 -21.973 1.00 0.00 O ATOM 829 CB GLN A 69 -27.447 -0.868 -19.180 1.00 0.00 C ATOM 830 CG GLN A 69 -26.192 -0.003 -19.027 1.00 0.00 C ATOM 831 CD GLN A 69 -24.976 -0.891 -18.775 1.00 0.00 C ATOM 832 OE1 GLN A 69 -25.008 -1.749 -17.895 1.00 0.00 O ATOM 833 NE2 GLN A 69 -23.905 -0.737 -19.503 1.00 0.00 N ATOM 0 H GLN A 69 -28.882 -2.751 -19.822 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.972 -0.477 -21.217 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.328 -0.305 -18.873 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.382 -1.739 -18.528 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.038 0.592 -19.927 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -26.320 0.696 -18.201 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -23.882 -0.024 -20.232 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -23.090 -1.329 -19.343 1.00 0.00 H new ATOM 842 N ILE A 70 -25.754 -2.908 -20.757 1.00 0.00 N ATOM 843 CA ILE A 70 -24.480 -3.427 -21.236 1.00 0.00 C ATOM 844 C ILE A 70 -24.546 -3.596 -22.759 1.00 0.00 C ATOM 845 O ILE A 70 -23.595 -3.257 -23.466 1.00 0.00 O ATOM 846 CB ILE A 70 -24.197 -4.787 -20.594 1.00 0.00 C ATOM 847 CG1 ILE A 70 -23.866 -4.580 -19.114 1.00 0.00 C ATOM 848 CG2 ILE A 70 -23.012 -5.451 -21.295 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.882 -5.929 -18.393 1.00 0.00 C ATOM 0 H ILE A 70 -26.234 -3.510 -20.088 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.685 -2.730 -20.971 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.074 -5.428 -20.691 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -22.887 -4.113 -19.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.591 -3.904 -18.660 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.813 -6.419 -20.835 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -23.246 -5.591 -22.350 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.131 -4.816 -21.200 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -23.646 -5.781 -17.339 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.871 -6.378 -18.484 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.140 -6.590 -18.841 1.00 0.00 H new ATOM 861 N ASN A 71 -25.664 -4.107 -23.247 1.00 0.00 N ATOM 862 CA ASN A 71 -25.835 -4.310 -24.684 1.00 0.00 C ATOM 863 C ASN A 71 -25.637 -2.994 -25.431 1.00 0.00 C ATOM 864 O ASN A 71 -25.020 -2.963 -26.496 1.00 0.00 O ATOM 865 CB ASN A 71 -27.242 -4.848 -24.971 1.00 0.00 C ATOM 866 CG ASN A 71 -27.288 -6.351 -24.716 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.317 -7.055 -24.995 1.00 0.00 O ATOM 868 ND2 ASN A 71 -28.360 -6.885 -24.200 1.00 0.00 N ATOM 0 H ASN A 71 -26.463 -4.388 -22.679 1.00 0.00 H new ATOM 0 HA ASN A 71 -25.091 -5.031 -25.024 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.970 -4.341 -24.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.517 -4.638 -26.005 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.396 -7.889 -24.026 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -29.162 -6.298 -23.970 1.00 0.00 H new ATOM 875 N MET A 72 -26.157 -1.912 -24.863 1.00 0.00 N ATOM 876 CA MET A 72 -26.035 -0.603 -25.492 1.00 0.00 C ATOM 877 C MET A 72 -24.574 -0.185 -25.590 1.00 0.00 C ATOM 878 O MET A 72 -24.137 0.338 -26.615 1.00 0.00 O ATOM 879 CB MET A 72 -26.808 0.438 -24.671 1.00 0.00 C ATOM 880 CG MET A 72 -28.309 0.273 -24.919 1.00 0.00 C ATOM 881 SD MET A 72 -28.703 0.781 -26.612 1.00 0.00 S ATOM 882 CE MET A 72 -28.863 2.554 -26.286 1.00 0.00 C ATOM 0 H MET A 72 -26.662 -1.914 -23.977 1.00 0.00 H new ATOM 0 HA MET A 72 -26.450 -0.664 -26.498 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.588 0.316 -23.610 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.491 1.443 -24.948 1.00 0.00 H new ATOM 0 HG2 MET A 72 -28.602 -0.765 -24.762 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.874 0.875 -24.207 1.00 0.00 H new ATOM 0 HE1 MET A 72 -29.229 3.057 -27.181 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.566 2.712 -25.468 1.00 0.00 H new ATOM 0 HE3 MET A 72 -27.890 2.963 -26.013 1.00 0.00 H new ATOM 892 N ASN A 73 -23.822 -0.427 -24.522 1.00 0.00 N ATOM 893 CA ASN A 73 -22.412 -0.063 -24.496 1.00 0.00 C ATOM 894 C ASN A 73 -21.584 -1.056 -25.301 1.00 0.00 C ATOM 895 O ASN A 73 -21.693 -1.123 -26.524 1.00 0.00 O ATOM 896 CB ASN A 73 -21.908 -0.023 -23.051 1.00 0.00 C ATOM 897 CG ASN A 73 -22.560 1.132 -22.300 1.00 0.00 C ATOM 898 OD1 ASN A 73 -23.101 2.048 -22.918 1.00 0.00 O ATOM 899 ND2 ASN A 73 -22.541 1.142 -20.994 1.00 0.00 N ATOM 0 H ASN A 73 -24.163 -0.870 -23.669 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.305 0.925 -24.944 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.135 -0.965 -22.552 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -20.824 0.091 -23.039 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.976 1.911 -20.484 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.092 0.381 -20.485 1.00 0.00 H new ATOM 906 N LEU A 74 -20.753 -1.826 -24.606 1.00 0.00 N ATOM 907 CA LEU A 74 -19.900 -2.804 -25.271 1.00 0.00 C ATOM 908 C LEU A 74 -20.743 -3.867 -25.965 1.00 0.00 C ATOM 909 O LEU A 74 -20.488 -4.219 -27.116 1.00 0.00 O ATOM 910 CB LEU A 74 -18.978 -3.475 -24.247 1.00 0.00 C ATOM 911 CG LEU A 74 -19.691 -3.560 -22.893 1.00 0.00 C ATOM 912 CD1 LEU A 74 -19.237 -4.823 -22.153 1.00 0.00 C ATOM 913 CD2 LEU A 74 -19.349 -2.326 -22.053 1.00 0.00 C ATOM 0 H LEU A 74 -20.652 -1.793 -23.592 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.300 -2.285 -26.018 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -18.704 -4.473 -24.588 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.053 -2.907 -24.148 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.768 -3.601 -23.055 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -19.744 -4.883 -21.190 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -19.484 -5.702 -22.748 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.159 -4.784 -21.993 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -19.857 -2.389 -21.091 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -18.272 -2.282 -21.892 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -19.674 -1.427 -22.577 1.00 0.00 H new ATOM 925 N GLY A 75 -21.747 -4.376 -25.259 1.00 0.00 N ATOM 926 CA GLY A 75 -22.621 -5.399 -25.821 1.00 0.00 C ATOM 927 C GLY A 75 -21.822 -6.425 -26.614 1.00 0.00 C ATOM 928 O GLY A 75 -22.201 -6.799 -27.724 1.00 0.00 O ATOM 0 H GLY A 75 -21.975 -4.100 -24.304 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -23.165 -5.898 -25.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -23.364 -4.932 -26.468 1.00 0.00 H new ATOM 932 N GLY A 76 -20.709 -6.875 -26.043 1.00 0.00 N ATOM 933 CA GLY A 76 -19.866 -7.860 -26.706 1.00 0.00 C ATOM 934 C GLY A 76 -19.372 -8.909 -25.715 1.00 0.00 C ATOM 935 O GLY A 76 -19.475 -10.110 -25.964 1.00 0.00 O ATOM 0 H GLY A 76 -20.373 -6.575 -25.128 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.426 -8.345 -27.506 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.014 -7.362 -27.170 1.00 0.00 H new ATOM 939 N HIS A 77 -18.826 -8.447 -24.595 1.00 0.00 N ATOM 940 CA HIS A 77 -18.313 -9.354 -23.577 1.00 0.00 C ATOM 941 C HIS A 77 -18.157 -8.635 -22.246 1.00 0.00 C ATOM 942 O HIS A 77 -18.112 -7.402 -22.194 1.00 0.00 O ATOM 943 CB HIS A 77 -16.958 -9.914 -24.018 1.00 0.00 C ATOM 944 CG HIS A 77 -15.993 -8.782 -24.236 1.00 0.00 C ATOM 945 ND1 HIS A 77 -16.391 -7.455 -24.200 1.00 0.00 N ATOM 946 CD2 HIS A 77 -14.646 -8.761 -24.495 1.00 0.00 C ATOM 947 CE1 HIS A 77 -15.304 -6.698 -24.432 1.00 0.00 C ATOM 948 NE2 HIS A 77 -14.211 -7.443 -24.618 1.00 0.00 N ATOM 0 H HIS A 77 -18.728 -7.457 -24.371 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.024 -10.171 -23.452 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -16.570 -10.595 -23.260 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.072 -10.490 -24.936 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -14.018 -9.634 -24.589 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -15.314 -5.619 -24.464 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -13.263 -7.118 -24.809 1.00 0.00 H new ATOM 956 N VAL A 78 -18.075 -9.403 -21.164 1.00 0.00 N ATOM 957 CA VAL A 78 -17.907 -8.823 -19.831 1.00 0.00 C ATOM 958 C VAL A 78 -16.839 -9.588 -19.055 1.00 0.00 C ATOM 959 O VAL A 78 -16.964 -10.793 -18.828 1.00 0.00 O ATOM 960 CB VAL A 78 -19.228 -8.864 -19.076 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.078 -8.128 -17.744 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.314 -8.186 -19.914 1.00 0.00 C ATOM 0 H VAL A 78 -18.121 -10.422 -21.181 1.00 0.00 H new ATOM 0 HA VAL A 78 -17.590 -7.785 -19.936 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.507 -9.901 -18.888 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.024 -8.157 -17.203 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.304 -8.610 -17.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.799 -7.091 -17.931 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.261 -8.215 -19.375 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.035 -7.149 -20.102 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.421 -8.710 -20.863 1.00 0.00 H new ATOM 972 N ASP A 79 -15.798 -8.880 -18.634 1.00 0.00 N ATOM 973 CA ASP A 79 -14.710 -9.505 -17.889 1.00 0.00 C ATOM 974 C ASP A 79 -14.967 -9.437 -16.393 1.00 0.00 C ATOM 975 O ASP A 79 -15.710 -8.577 -15.922 1.00 0.00 O ATOM 976 CB ASP A 79 -13.387 -8.801 -18.218 1.00 0.00 C ATOM 977 CG ASP A 79 -13.494 -7.316 -17.886 1.00 0.00 C ATOM 978 OD1 ASP A 79 -14.601 -6.860 -17.654 1.00 0.00 O ATOM 979 OD2 ASP A 79 -12.467 -6.657 -17.875 1.00 0.00 O ATOM 0 H ASP A 79 -15.683 -7.879 -18.794 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.651 -10.553 -18.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.574 -9.252 -17.650 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.149 -8.931 -19.274 1.00 0.00 H new ATOM 984 N PHE A 80 -14.347 -10.346 -15.646 1.00 0.00 N ATOM 985 CA PHE A 80 -14.522 -10.371 -14.198 1.00 0.00 C ATOM 986 C PHE A 80 -14.400 -8.962 -13.626 1.00 0.00 C ATOM 987 O PHE A 80 -14.904 -8.677 -12.541 1.00 0.00 O ATOM 988 CB PHE A 80 -13.467 -11.278 -13.560 1.00 0.00 C ATOM 989 CG PHE A 80 -13.586 -11.205 -12.055 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.701 -11.755 -11.415 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.581 -10.584 -11.303 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.813 -11.687 -10.020 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.693 -10.516 -9.910 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.809 -11.068 -9.268 1.00 0.00 C ATOM 0 H PHE A 80 -13.726 -11.067 -16.014 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.515 -10.760 -13.974 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.603 -12.306 -13.897 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.469 -10.969 -13.872 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.476 -12.232 -11.996 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.721 -10.158 -11.798 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.674 -12.112 -9.526 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.918 -10.038 -9.329 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.894 -11.016 -8.193 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.729 -8.090 -14.364 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.549 -6.707 -13.920 1.00 0.00 C ATOM 1006 C ASP A 81 -14.823 -5.903 -14.166 1.00 0.00 C ATOM 1007 O ASP A 81 -15.342 -5.255 -13.263 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.382 -6.060 -14.668 1.00 0.00 C ATOM 1009 CG ASP A 81 -12.004 -4.742 -14.004 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -12.414 -4.531 -12.873 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -11.308 -3.962 -14.632 1.00 0.00 O ATOM 0 H ASP A 81 -13.302 -8.308 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.331 -6.712 -12.852 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.525 -6.733 -14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.657 -5.887 -15.708 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.323 -5.964 -15.397 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.543 -5.247 -15.754 1.00 0.00 C ATOM 1018 C ASP A 82 -17.721 -5.783 -14.945 1.00 0.00 C ATOM 1019 O ASP A 82 -18.568 -5.023 -14.482 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.826 -5.400 -17.246 1.00 0.00 C ATOM 1021 CG ASP A 82 -18.119 -4.679 -17.606 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -18.751 -4.151 -16.708 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -18.461 -4.667 -18.778 1.00 0.00 O ATOM 0 H ASP A 82 -14.906 -6.498 -16.159 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.407 -4.190 -15.526 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.998 -4.991 -17.826 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.905 -6.456 -17.504 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.763 -7.100 -14.779 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.828 -7.730 -14.008 1.00 0.00 C ATOM 1030 C PHE A 83 -18.796 -7.220 -12.564 1.00 0.00 C ATOM 1031 O PHE A 83 -19.834 -6.885 -11.994 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.658 -9.250 -14.023 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.392 -9.858 -12.849 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.765 -9.634 -12.692 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.697 -10.633 -11.914 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.444 -10.194 -11.603 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.375 -11.191 -10.825 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.749 -10.972 -10.670 1.00 0.00 C ATOM 0 H PHE A 83 -17.077 -7.749 -15.165 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.788 -7.476 -14.458 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.044 -9.659 -14.957 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.600 -9.507 -13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.300 -9.030 -13.410 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.637 -10.800 -12.033 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.504 -10.026 -11.483 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.839 -11.790 -10.104 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.273 -11.404 -9.830 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.603 -7.189 -11.981 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.449 -6.718 -10.614 1.00 0.00 C ATOM 1050 C VAL A 84 -17.731 -5.222 -10.526 1.00 0.00 C ATOM 1051 O VAL A 84 -18.417 -4.761 -9.615 1.00 0.00 O ATOM 1052 CB VAL A 84 -16.027 -7.002 -10.120 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.791 -6.282 -8.790 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.851 -8.510 -9.919 1.00 0.00 C ATOM 0 H VAL A 84 -16.736 -7.482 -12.431 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.165 -7.248 -9.985 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.309 -6.644 -10.858 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.779 -6.486 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.918 -5.208 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.508 -6.639 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.840 -8.715 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.570 -8.865 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.017 -9.025 -10.865 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.189 -4.470 -11.478 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.380 -3.025 -11.492 1.00 0.00 C ATOM 1066 C GLU A 85 -18.860 -2.678 -11.558 1.00 0.00 C ATOM 1067 O GLU A 85 -19.356 -1.881 -10.761 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.655 -2.414 -12.697 1.00 0.00 C ATOM 1069 CG GLU A 85 -15.152 -2.354 -12.417 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.408 -1.896 -13.666 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.064 -1.631 -14.661 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -13.191 -1.823 -13.612 1.00 0.00 O ATOM 0 H GLU A 85 -16.620 -4.833 -12.243 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.966 -2.615 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.845 -3.011 -13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.038 -1.413 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.954 -1.668 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.792 -3.335 -12.108 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.561 -3.283 -12.505 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.992 -3.042 -12.659 1.00 0.00 C ATOM 1081 C LEU A 86 -21.755 -3.541 -11.444 1.00 0.00 C ATOM 1082 O LEU A 86 -22.701 -2.906 -10.985 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.512 -3.730 -13.923 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.407 -2.777 -15.117 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -19.997 -2.184 -15.179 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -21.701 -3.541 -16.407 1.00 0.00 C ATOM 0 H LEU A 86 -19.167 -3.942 -13.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -21.150 -1.967 -12.749 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.937 -4.635 -14.118 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.549 -4.036 -13.781 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.131 -1.971 -15.002 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -19.924 -1.506 -16.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -19.792 -1.636 -14.259 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -19.269 -2.987 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -21.626 -2.863 -17.257 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -20.979 -4.349 -16.524 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -22.708 -3.957 -16.362 1.00 0.00 H new ATOM 1098 N MET A 87 -21.336 -4.693 -10.933 1.00 0.00 N ATOM 1099 CA MET A 87 -21.989 -5.283 -9.770 1.00 0.00 C ATOM 1100 C MET A 87 -21.984 -4.301 -8.607 1.00 0.00 C ATOM 1101 O MET A 87 -22.702 -4.486 -7.620 1.00 0.00 O ATOM 1102 CB MET A 87 -21.262 -6.570 -9.361 1.00 0.00 C ATOM 1103 CG MET A 87 -21.783 -7.041 -8.000 1.00 0.00 C ATOM 1104 SD MET A 87 -23.592 -7.070 -8.020 1.00 0.00 S ATOM 1105 CE MET A 87 -23.831 -7.592 -6.308 1.00 0.00 C ATOM 0 H MET A 87 -20.554 -5.234 -11.302 1.00 0.00 H new ATOM 0 HA MET A 87 -23.021 -5.518 -10.030 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.422 -7.344 -10.111 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.188 -6.393 -9.309 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.396 -8.035 -7.775 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.429 -6.375 -7.213 1.00 0.00 H new ATOM 0 HE1 MET A 87 -24.853 -7.948 -6.175 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.133 -8.395 -6.072 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.651 -6.748 -5.642 1.00 0.00 H new ATOM 1115 N GLY A 88 -21.170 -3.258 -8.722 1.00 0.00 N ATOM 1116 CA GLY A 88 -21.073 -2.252 -7.670 1.00 0.00 C ATOM 1117 C GLY A 88 -21.416 -0.868 -8.207 1.00 0.00 C ATOM 1118 O GLY A 88 -20.532 -0.099 -8.586 1.00 0.00 O ATOM 0 H GLY A 88 -20.570 -3.087 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -21.749 -2.507 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.064 -2.247 -7.258 1.00 0.00 H new ATOM 1122 N PRO A 89 -22.680 -0.539 -8.234 1.00 0.00 N ATOM 1123 CA PRO A 89 -23.156 0.787 -8.727 1.00 0.00 C ATOM 1124 C PRO A 89 -22.506 1.942 -7.970 1.00 0.00 C ATOM 1125 O PRO A 89 -23.101 2.515 -7.053 1.00 0.00 O ATOM 1126 CB PRO A 89 -24.670 0.752 -8.477 1.00 0.00 C ATOM 1127 CG PRO A 89 -25.029 -0.692 -8.360 1.00 0.00 C ATOM 1128 CD PRO A 89 -23.794 -1.401 -7.814 1.00 0.00 C ATOM 0 HA PRO A 89 -22.900 0.950 -9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -24.929 1.294 -7.568 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -25.213 1.225 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -25.881 -0.827 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -25.315 -1.101 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -23.836 -1.500 -6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -23.697 -2.407 -8.222 1.00 0.00 H new ATOM 1136 N LYS A 90 -21.284 2.283 -8.357 1.00 0.00 N ATOM 1137 CA LYS A 90 -20.563 3.375 -7.714 1.00 0.00 C ATOM 1138 C LYS A 90 -20.687 4.655 -8.530 1.00 0.00 C ATOM 1139 O LYS A 90 -20.194 5.710 -8.130 1.00 0.00 O ATOM 1140 CB LYS A 90 -19.088 3.005 -7.555 1.00 0.00 C ATOM 1141 CG LYS A 90 -18.946 1.905 -6.501 1.00 0.00 C ATOM 1142 CD LYS A 90 -17.472 1.521 -6.359 1.00 0.00 C ATOM 1143 CE LYS A 90 -17.324 0.454 -5.273 1.00 0.00 C ATOM 1144 NZ LYS A 90 -15.890 0.066 -5.149 1.00 0.00 N ATOM 0 H LYS A 90 -20.773 1.822 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 90 -21.001 3.545 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -18.683 2.664 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.512 3.882 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.336 2.251 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -19.534 1.033 -6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.091 1.144 -7.308 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.880 2.400 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.692 0.836 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.928 -0.419 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.789 -0.659 -4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.554 -0.315 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.325 0.901 -4.893 1.00 0.00 H new ATOM 1158 N LEU A 91 -21.344 4.554 -9.681 1.00 0.00 N ATOM 1159 CA LEU A 91 -21.520 5.711 -10.551 1.00 0.00 C ATOM 1160 C LEU A 91 -22.761 6.503 -10.145 1.00 0.00 C ATOM 1161 O LEU A 91 -22.959 7.574 -10.692 1.00 0.00 O ATOM 1162 CB LEU A 91 -21.664 5.250 -12.004 1.00 0.00 C ATOM 1163 CG LEU A 91 -22.643 4.076 -12.074 1.00 0.00 C ATOM 1164 CD1 LEU A 91 -23.477 4.178 -13.356 1.00 0.00 C ATOM 1165 CD2 LEU A 91 -21.864 2.757 -12.078 1.00 0.00 C ATOM 0 H LEU A 91 -21.760 3.691 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 91 -20.644 6.353 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.021 6.072 -12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -20.693 4.951 -12.400 1.00 0.00 H new ATOM 0 HG LEU A 91 -23.303 4.106 -11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -24.174 3.341 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -24.034 5.115 -13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.817 4.151 -14.223 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -22.563 1.922 -12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -21.202 2.728 -12.943 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -21.272 2.681 -11.166 1.00 0.00 H new TER 1177 LEU A 91 HETATM 1178 CA CA A 301 -17.568 -17.368 -20.110 1.00 0.00 CA