USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 NoAdj-H: A 39 ASP H : A 39 ASP N : A 301 CACA :(H bumps) USER MOD Set 1.1: A 51 MET CE :methyl 159:sc= -0.409 (180deg=-1.41!) USER MOD Set 1.2: A 57 MET CE :methyl 145:sc= -0.0208 (180deg=-0.871) USER MOD Set 2.1: A 43 ASN : amide:sc= -11.1! C(o=-10!,f=-15!) USER MOD Set 2.2: A 44 CYS SG : rot -16:sc= 1.1 USER MOD Single : A 18 SER OG : rot 34:sc= 0.318 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0395 (180deg=-0.441) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 50 CYS SG : rot -72:sc= -0.978! USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.581 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 172:sc= -0.641 USER MOD Single : A 61 MET CE :methyl -116:sc=-0.00352 (180deg=-0.215) USER MOD Single : A 67 SER OG : rot 180:sc= -0.04 USER MOD Single : A 68 GLN : amide:sc= -2.02 K(o=-2,f=-0.6) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.3!) USER MOD Single : A 72 MET CE :methyl -156:sc= -0.171 (180deg=-1.35!) USER MOD Single : A 73 ASN : amide:sc= -0.227 K(o=-0.23,f=-1) USER MOD Single : A 77 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-3.8!) USER MOD Single : A 87 MET CE :methyl 147:sc= -0.0887 (180deg=-0.799) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 18 -15.615 -1.572 0.620 1.00 0.00 N ATOM 2 CA SER A 18 -14.922 -0.979 -0.558 1.00 0.00 C ATOM 3 C SER A 18 -14.191 -2.079 -1.318 1.00 0.00 C ATOM 4 O SER A 18 -12.960 -2.115 -1.342 1.00 0.00 O ATOM 5 CB SER A 18 -13.924 0.076 -0.084 1.00 0.00 C ATOM 6 OG SER A 18 -14.570 0.953 0.830 1.00 0.00 O ATOM 0 HA SER A 18 -15.653 -0.509 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.070 -0.403 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.539 0.638 -0.935 1.00 0.00 H new ATOM 0 HG SER A 18 -15.237 0.454 1.346 1.00 0.00 H new ATOM 11 N LEU A 19 -14.957 -2.975 -1.939 1.00 0.00 N ATOM 12 CA LEU A 19 -14.373 -4.078 -2.698 1.00 0.00 C ATOM 13 C LEU A 19 -13.172 -4.650 -1.967 1.00 0.00 C ATOM 14 O LEU A 19 -12.024 -4.385 -2.329 1.00 0.00 O ATOM 15 CB LEU A 19 -13.943 -3.587 -4.081 1.00 0.00 C ATOM 16 CG LEU A 19 -15.184 -3.200 -4.896 1.00 0.00 C ATOM 17 CD1 LEU A 19 -14.749 -2.446 -6.156 1.00 0.00 C ATOM 18 CD2 LEU A 19 -15.977 -4.460 -5.296 1.00 0.00 C ATOM 0 H LEU A 19 -15.977 -2.959 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.125 -4.860 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.277 -2.730 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.384 -4.367 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.824 -2.562 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.629 -2.170 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.205 -1.545 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.103 -3.085 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.855 -4.169 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.345 -5.111 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.293 -4.991 -4.398 1.00 0.00 H new ATOM 30 N ARG A 20 -13.443 -5.432 -0.927 1.00 0.00 N ATOM 31 CA ARG A 20 -12.369 -6.024 -0.146 1.00 0.00 C ATOM 32 C ARG A 20 -11.868 -7.315 -0.800 1.00 0.00 C ATOM 33 O ARG A 20 -12.631 -8.015 -1.466 1.00 0.00 O ATOM 34 CB ARG A 20 -12.855 -6.325 1.275 1.00 0.00 C ATOM 35 CG ARG A 20 -13.008 -5.012 2.045 1.00 0.00 C ATOM 36 CD ARG A 20 -13.370 -5.310 3.498 1.00 0.00 C ATOM 37 NE ARG A 20 -14.524 -6.198 3.556 1.00 0.00 N ATOM 38 CZ ARG A 20 -15.291 -6.259 4.640 1.00 0.00 C ATOM 39 NH1 ARG A 20 -15.018 -5.512 5.674 1.00 0.00 N ATOM 40 NH2 ARG A 20 -16.318 -7.063 4.668 1.00 0.00 N ATOM 0 H ARG A 20 -14.384 -5.667 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.546 -5.310 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.808 -6.854 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.146 -6.978 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.080 -4.442 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.782 -4.397 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.522 -5.770 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.590 -4.381 4.024 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.747 -6.783 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.216 -4.882 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.606 -5.558 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.532 -7.645 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.907 -7.110 5.500 1.00 0.00 H new ATOM 54 N PRO A 21 -10.612 -7.648 -0.615 1.00 0.00 N ATOM 55 CA PRO A 21 -10.019 -8.890 -1.193 1.00 0.00 C ATOM 56 C PRO A 21 -10.905 -10.117 -0.967 1.00 0.00 C ATOM 57 O PRO A 21 -11.032 -10.971 -1.844 1.00 0.00 O ATOM 58 CB PRO A 21 -8.690 -9.037 -0.435 1.00 0.00 C ATOM 59 CG PRO A 21 -8.311 -7.650 -0.022 1.00 0.00 C ATOM 60 CD PRO A 21 -9.614 -6.872 0.149 1.00 0.00 C ATOM 0 HA PRO A 21 -9.902 -8.821 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.802 -9.688 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.923 -9.481 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.744 -7.665 0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.677 -7.182 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.893 -6.792 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.523 -5.856 -0.235 1.00 0.00 H new ATOM 68 N GLU A 22 -11.509 -10.199 0.212 1.00 0.00 N ATOM 69 CA GLU A 22 -12.371 -11.330 0.533 1.00 0.00 C ATOM 70 C GLU A 22 -13.571 -11.377 -0.408 1.00 0.00 C ATOM 71 O GLU A 22 -13.911 -12.433 -0.942 1.00 0.00 O ATOM 72 CB GLU A 22 -12.859 -11.217 1.980 1.00 0.00 C ATOM 73 CG GLU A 22 -13.701 -12.445 2.336 1.00 0.00 C ATOM 74 CD GLU A 22 -14.116 -12.387 3.802 1.00 0.00 C ATOM 75 OE1 GLU A 22 -13.526 -11.610 4.534 1.00 0.00 O ATOM 76 OE2 GLU A 22 -15.017 -13.122 4.171 1.00 0.00 O ATOM 0 H GLU A 22 -11.420 -9.505 0.954 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.795 -12.248 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.008 -11.139 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.450 -10.310 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.586 -12.486 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.130 -13.354 2.147 1.00 0.00 H new ATOM 83 N GLU A 23 -14.209 -10.228 -0.610 1.00 0.00 N ATOM 84 CA GLU A 23 -15.367 -10.151 -1.486 1.00 0.00 C ATOM 85 C GLU A 23 -14.947 -10.390 -2.928 1.00 0.00 C ATOM 86 O GLU A 23 -15.690 -10.956 -3.719 1.00 0.00 O ATOM 87 CB GLU A 23 -16.030 -8.777 -1.356 1.00 0.00 C ATOM 88 CG GLU A 23 -16.640 -8.629 0.039 1.00 0.00 C ATOM 89 CD GLU A 23 -17.270 -7.248 0.191 1.00 0.00 C ATOM 90 OE1 GLU A 23 -18.207 -6.965 -0.534 1.00 0.00 O ATOM 91 OE2 GLU A 23 -16.803 -6.495 1.030 1.00 0.00 O ATOM 0 H GLU A 23 -13.943 -9.342 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 23 -16.082 -10.920 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.295 -7.990 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.803 -8.662 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.393 -9.401 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.871 -8.772 0.798 1.00 0.00 H new ATOM 98 N ILE A 24 -13.750 -9.943 -3.267 1.00 0.00 N ATOM 99 CA ILE A 24 -13.247 -10.119 -4.620 1.00 0.00 C ATOM 100 C ILE A 24 -12.951 -11.591 -4.900 1.00 0.00 C ATOM 101 O ILE A 24 -13.248 -12.104 -5.979 1.00 0.00 O ATOM 102 CB ILE A 24 -11.981 -9.288 -4.826 1.00 0.00 C ATOM 103 CG1 ILE A 24 -12.338 -7.801 -4.749 1.00 0.00 C ATOM 104 CG2 ILE A 24 -11.382 -9.591 -6.206 1.00 0.00 C ATOM 105 CD1 ILE A 24 -11.054 -6.975 -4.650 1.00 0.00 C ATOM 0 H ILE A 24 -13.114 -9.460 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.015 -9.780 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.254 -9.537 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.906 -7.506 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.973 -7.612 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.480 -8.997 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.133 -10.650 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.107 -9.342 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.306 -5.916 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.504 -7.264 -3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.436 -7.156 -5.530 1.00 0.00 H new ATOM 117 N GLU A 25 -12.343 -12.257 -3.923 1.00 0.00 N ATOM 118 CA GLU A 25 -11.986 -13.661 -4.080 1.00 0.00 C ATOM 119 C GLU A 25 -13.227 -14.533 -4.218 1.00 0.00 C ATOM 120 O GLU A 25 -13.333 -15.333 -5.148 1.00 0.00 O ATOM 121 CB GLU A 25 -11.171 -14.128 -2.868 1.00 0.00 C ATOM 122 CG GLU A 25 -10.490 -15.466 -3.178 1.00 0.00 C ATOM 123 CD GLU A 25 -11.528 -16.584 -3.205 1.00 0.00 C ATOM 124 OE1 GLU A 25 -12.494 -16.486 -2.467 1.00 0.00 O ATOM 125 OE2 GLU A 25 -11.342 -17.521 -3.964 1.00 0.00 O ATOM 0 H GLU A 25 -12.089 -11.851 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.392 -13.758 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.421 -13.379 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.822 -14.234 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.979 -15.410 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.731 -15.681 -2.425 1.00 0.00 H new ATOM 132 N GLU A 26 -14.161 -14.379 -3.289 1.00 0.00 N ATOM 133 CA GLU A 26 -15.387 -15.167 -3.317 1.00 0.00 C ATOM 134 C GLU A 26 -16.203 -14.832 -4.563 1.00 0.00 C ATOM 135 O GLU A 26 -16.884 -15.693 -5.121 1.00 0.00 O ATOM 136 CB GLU A 26 -16.210 -14.891 -2.050 1.00 0.00 C ATOM 137 CG GLU A 26 -16.843 -13.493 -2.131 1.00 0.00 C ATOM 138 CD GLU A 26 -18.195 -13.552 -2.841 1.00 0.00 C ATOM 139 OE1 GLU A 26 -18.514 -14.597 -3.387 1.00 0.00 O ATOM 140 OE2 GLU A 26 -18.891 -12.548 -2.834 1.00 0.00 O ATOM 0 H GLU A 26 -14.095 -13.721 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.129 -16.225 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.988 -15.646 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.572 -14.960 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.971 -13.088 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.176 -12.817 -2.665 1.00 0.00 H new ATOM 147 N LEU A 27 -16.125 -13.579 -4.999 1.00 0.00 N ATOM 148 CA LEU A 27 -16.852 -13.147 -6.185 1.00 0.00 C ATOM 149 C LEU A 27 -16.328 -13.864 -7.421 1.00 0.00 C ATOM 150 O LEU A 27 -17.089 -14.180 -8.336 1.00 0.00 O ATOM 151 CB LEU A 27 -16.727 -11.627 -6.359 1.00 0.00 C ATOM 152 CG LEU A 27 -17.804 -10.910 -5.524 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.472 -9.415 -5.428 1.00 0.00 C ATOM 154 CD2 LEU A 27 -19.193 -11.090 -6.182 1.00 0.00 C ATOM 0 H LEU A 27 -15.569 -12.850 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.905 -13.400 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.735 -11.298 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.835 -11.363 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.824 -11.344 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -18.236 -8.910 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.500 -9.288 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.444 -8.984 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.948 -10.579 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.178 -10.666 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.433 -12.152 -6.240 1.00 0.00 H new ATOM 166 N ARG A 28 -15.029 -14.109 -7.443 1.00 0.00 N ATOM 167 CA ARG A 28 -14.411 -14.784 -8.570 1.00 0.00 C ATOM 168 C ARG A 28 -14.982 -16.187 -8.730 1.00 0.00 C ATOM 169 O ARG A 28 -15.215 -16.648 -9.847 1.00 0.00 O ATOM 170 CB ARG A 28 -12.897 -14.858 -8.369 1.00 0.00 C ATOM 171 CG ARG A 28 -12.251 -15.491 -9.602 1.00 0.00 C ATOM 172 CD ARG A 28 -10.729 -15.439 -9.463 1.00 0.00 C ATOM 173 NE ARG A 28 -10.263 -14.059 -9.543 1.00 0.00 N ATOM 174 CZ ARG A 28 -8.983 -13.753 -9.355 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.120 -14.694 -9.088 1.00 0.00 N ATOM 176 NH2 ARG A 28 -8.589 -12.512 -9.435 1.00 0.00 N ATOM 0 H ARG A 28 -14.384 -13.851 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.625 -14.215 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.492 -13.860 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.665 -15.446 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.582 -16.524 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.563 -14.961 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.428 -15.878 -8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.264 -16.034 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.931 -13.316 -9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.427 -15.664 -9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.138 -14.459 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.263 -11.775 -9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.607 -12.278 -9.291 1.00 0.00 H new ATOM 190 N GLU A 29 -15.202 -16.863 -7.607 1.00 0.00 N ATOM 191 CA GLU A 29 -15.742 -18.215 -7.638 1.00 0.00 C ATOM 192 C GLU A 29 -17.053 -18.245 -8.416 1.00 0.00 C ATOM 193 O GLU A 29 -17.256 -19.110 -9.265 1.00 0.00 O ATOM 194 CB GLU A 29 -15.986 -18.707 -6.210 1.00 0.00 C ATOM 195 CG GLU A 29 -14.653 -18.801 -5.465 1.00 0.00 C ATOM 196 CD GLU A 29 -13.781 -19.888 -6.083 1.00 0.00 C ATOM 197 OE1 GLU A 29 -14.256 -21.007 -6.195 1.00 0.00 O ATOM 198 OE2 GLU A 29 -12.652 -19.587 -6.434 1.00 0.00 O ATOM 0 H GLU A 29 -15.016 -16.500 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.022 -18.867 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.658 -18.025 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.473 -19.682 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.136 -17.842 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.831 -19.022 -4.412 1.00 0.00 H new ATOM 205 N ALA A 30 -17.936 -17.297 -8.124 1.00 0.00 N ATOM 206 CA ALA A 30 -19.222 -17.234 -8.809 1.00 0.00 C ATOM 207 C ALA A 30 -19.025 -17.009 -10.302 1.00 0.00 C ATOM 208 O ALA A 30 -19.694 -17.634 -11.125 1.00 0.00 O ATOM 209 CB ALA A 30 -20.068 -16.102 -8.227 1.00 0.00 C ATOM 0 H ALA A 30 -17.788 -16.569 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.736 -18.184 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.027 -16.062 -8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.236 -16.282 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.546 -15.154 -8.356 1.00 0.00 H new ATOM 215 N PHE A 31 -18.113 -16.114 -10.644 1.00 0.00 N ATOM 216 CA PHE A 31 -17.848 -15.813 -12.046 1.00 0.00 C ATOM 217 C PHE A 31 -17.510 -17.085 -12.816 1.00 0.00 C ATOM 218 O PHE A 31 -18.056 -17.332 -13.888 1.00 0.00 O ATOM 219 CB PHE A 31 -16.669 -14.837 -12.149 1.00 0.00 C ATOM 220 CG PHE A 31 -16.692 -14.146 -13.493 1.00 0.00 C ATOM 221 CD1 PHE A 31 -17.633 -13.142 -13.736 1.00 0.00 C ATOM 222 CD2 PHE A 31 -15.775 -14.502 -14.490 1.00 0.00 C ATOM 223 CE1 PHE A 31 -17.660 -12.493 -14.972 1.00 0.00 C ATOM 224 CE2 PHE A 31 -15.805 -13.854 -15.730 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.748 -12.847 -15.967 1.00 0.00 C ATOM 0 H PHE A 31 -17.547 -15.586 -9.979 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.743 -15.365 -12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.725 -14.099 -11.349 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.729 -15.374 -12.022 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -18.340 -12.868 -12.967 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -15.045 -15.276 -14.302 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -18.387 -11.717 -15.158 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -15.102 -14.130 -16.502 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.770 -12.343 -16.922 1.00 0.00 H new ATOM 235 N ARG A 32 -16.608 -17.883 -12.263 1.00 0.00 N ATOM 236 CA ARG A 32 -16.201 -19.124 -12.914 1.00 0.00 C ATOM 237 C ARG A 32 -17.365 -20.105 -12.982 1.00 0.00 C ATOM 238 O ARG A 32 -17.577 -20.760 -14.003 1.00 0.00 O ATOM 239 CB ARG A 32 -15.038 -19.762 -12.149 1.00 0.00 C ATOM 240 CG ARG A 32 -14.555 -21.010 -12.892 1.00 0.00 C ATOM 241 CD ARG A 32 -13.354 -21.608 -12.160 1.00 0.00 C ATOM 242 NE ARG A 32 -12.791 -22.710 -12.933 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.713 -23.362 -12.513 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.137 -23.019 -11.393 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.229 -24.346 -13.220 1.00 0.00 N ATOM 0 H ARG A 32 -16.146 -17.698 -11.373 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.882 -18.887 -13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.221 -19.048 -12.048 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.355 -20.027 -11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.359 -21.744 -12.953 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.280 -20.753 -13.915 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.596 -20.841 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.659 -21.963 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.233 -22.984 -13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.515 -22.250 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.309 -23.520 -11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.679 -24.614 -14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.401 -24.847 -12.897 1.00 0.00 H new ATOM 259 N GLU A 33 -18.112 -20.203 -11.892 1.00 0.00 N ATOM 260 CA GLU A 33 -19.247 -21.117 -11.838 1.00 0.00 C ATOM 261 C GLU A 33 -20.185 -20.885 -13.015 1.00 0.00 C ATOM 262 O GLU A 33 -20.697 -21.834 -13.608 1.00 0.00 O ATOM 263 CB GLU A 33 -20.015 -20.921 -10.524 1.00 0.00 C ATOM 264 CG GLU A 33 -19.249 -21.573 -9.372 1.00 0.00 C ATOM 265 CD GLU A 33 -19.932 -21.257 -8.048 1.00 0.00 C ATOM 266 OE1 GLU A 33 -20.945 -20.576 -8.073 1.00 0.00 O ATOM 267 OE2 GLU A 33 -19.432 -21.697 -7.026 1.00 0.00 O ATOM 0 H GLU A 33 -17.956 -19.666 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.867 -22.137 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.150 -19.858 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.010 -21.359 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.204 -22.652 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.221 -21.210 -9.356 1.00 0.00 H new ATOM 274 N PHE A 34 -20.400 -19.622 -13.354 1.00 0.00 N ATOM 275 CA PHE A 34 -21.274 -19.275 -14.467 1.00 0.00 C ATOM 276 C PHE A 34 -20.507 -19.298 -15.783 1.00 0.00 C ATOM 277 O PHE A 34 -21.086 -19.545 -16.841 1.00 0.00 O ATOM 278 CB PHE A 34 -21.879 -17.881 -14.241 1.00 0.00 C ATOM 279 CG PHE A 34 -23.084 -17.989 -13.336 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.305 -18.429 -13.857 1.00 0.00 C ATOM 281 CD2 PHE A 34 -22.980 -17.653 -11.982 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.424 -18.534 -13.028 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.101 -17.757 -11.150 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.324 -18.196 -11.673 1.00 0.00 C ATOM 0 H PHE A 34 -19.983 -18.823 -12.877 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.074 -20.013 -14.520 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.136 -17.219 -13.796 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.167 -17.440 -15.195 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.383 -18.688 -14.903 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.037 -17.314 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.366 -18.876 -13.432 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -24.023 -17.499 -10.104 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.189 -18.274 -11.031 1.00 0.00 H new ATOM 294 N ASP A 35 -19.203 -19.034 -15.719 1.00 0.00 N ATOM 295 CA ASP A 35 -18.381 -19.021 -16.922 1.00 0.00 C ATOM 296 C ASP A 35 -17.818 -20.409 -17.198 1.00 0.00 C ATOM 297 O ASP A 35 -16.606 -20.619 -17.163 1.00 0.00 O ATOM 298 CB ASP A 35 -17.233 -18.026 -16.749 1.00 0.00 C ATOM 299 CG ASP A 35 -16.572 -17.755 -18.094 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.723 -18.577 -18.981 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.925 -16.728 -18.218 1.00 0.00 O ATOM 0 H ASP A 35 -18.700 -18.829 -14.856 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.001 -18.721 -17.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.609 -17.095 -16.325 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.499 -18.423 -16.047 1.00 0.00 H new ATOM 306 N LYS A 36 -18.707 -21.359 -17.475 1.00 0.00 N ATOM 307 CA LYS A 36 -18.285 -22.725 -17.756 1.00 0.00 C ATOM 308 C LYS A 36 -17.241 -22.741 -18.864 1.00 0.00 C ATOM 309 O LYS A 36 -16.070 -23.031 -18.622 1.00 0.00 O ATOM 310 CB LYS A 36 -19.487 -23.566 -18.179 1.00 0.00 C ATOM 311 CG LYS A 36 -20.436 -23.740 -16.991 1.00 0.00 C ATOM 312 CD LYS A 36 -21.537 -24.742 -17.353 1.00 0.00 C ATOM 313 CE LYS A 36 -22.489 -24.129 -18.384 1.00 0.00 C ATOM 314 NZ LYS A 36 -23.723 -24.957 -18.474 1.00 0.00 N ATOM 0 H LYS A 36 -19.715 -21.209 -17.510 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.848 -23.145 -16.850 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -20.008 -23.084 -19.006 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.154 -24.540 -18.537 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.883 -24.091 -16.120 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.878 -22.780 -16.722 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.093 -25.653 -17.754 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -22.091 -25.024 -16.458 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.743 -23.108 -18.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.002 -24.076 -19.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -24.370 -24.541 -19.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -23.472 -25.923 -18.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -24.190 -24.986 -17.545 1.00 0.00 H new ATOM 328 N ASP A 37 -17.672 -22.426 -20.082 1.00 0.00 N ATOM 329 CA ASP A 37 -16.766 -22.407 -21.228 1.00 0.00 C ATOM 330 C ASP A 37 -15.430 -21.786 -20.847 1.00 0.00 C ATOM 331 O ASP A 37 -14.388 -22.146 -21.391 1.00 0.00 O ATOM 332 CB ASP A 37 -17.393 -21.610 -22.372 1.00 0.00 C ATOM 333 CG ASP A 37 -17.896 -20.267 -21.854 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.529 -19.907 -20.748 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.643 -19.619 -22.569 1.00 0.00 O ATOM 0 H ASP A 37 -18.638 -22.181 -20.301 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.595 -23.435 -21.549 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.659 -21.453 -23.162 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.217 -22.173 -22.810 1.00 0.00 H new ATOM 340 N LYS A 38 -15.465 -20.856 -19.903 1.00 0.00 N ATOM 341 CA LYS A 38 -14.246 -20.200 -19.443 1.00 0.00 C ATOM 342 C LYS A 38 -13.583 -19.419 -20.574 1.00 0.00 C ATOM 343 O LYS A 38 -12.450 -19.696 -20.965 1.00 0.00 O ATOM 344 CB LYS A 38 -13.275 -21.253 -18.866 1.00 0.00 C ATOM 345 CG LYS A 38 -12.585 -20.710 -17.615 1.00 0.00 C ATOM 346 CD LYS A 38 -11.702 -19.519 -17.998 1.00 0.00 C ATOM 347 CE LYS A 38 -10.980 -19.000 -16.755 1.00 0.00 C ATOM 348 NZ LYS A 38 -9.999 -20.023 -16.293 1.00 0.00 N ATOM 0 H LYS A 38 -16.318 -20.539 -19.442 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.507 -19.489 -18.659 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.820 -22.165 -18.622 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.529 -21.518 -19.615 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.329 -20.404 -16.880 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.981 -21.490 -17.151 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.977 -19.819 -18.754 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.310 -18.727 -18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.468 -18.065 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.700 -18.786 -15.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.286 -19.571 -15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.495 -20.761 -15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.531 -20.452 -17.117 1.00 0.00 H new ATOM 362 N ASP A 39 -14.291 -18.428 -21.089 1.00 0.00 N ATOM 363 CA ASP A 39 -13.753 -17.601 -22.161 1.00 0.00 C ATOM 364 C ASP A 39 -13.063 -16.375 -21.575 1.00 0.00 C ATOM 365 O ASP A 39 -12.603 -15.502 -22.309 1.00 0.00 O ATOM 366 CB ASP A 39 -14.875 -17.162 -23.094 1.00 0.00 C ATOM 367 CG ASP A 39 -15.598 -18.386 -23.646 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.936 -19.236 -24.217 1.00 0.00 O ATOM 369 OD2 ASP A 39 -16.806 -18.452 -23.489 1.00 0.00 O ATOM 0 HA ASP A 39 -13.027 -18.185 -22.726 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.578 -16.525 -22.557 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.468 -16.569 -23.913 1.00 0.00 H new ATOM 374 N GLY A 40 -13.000 -16.315 -20.244 1.00 0.00 N ATOM 375 CA GLY A 40 -12.368 -15.189 -19.560 1.00 0.00 C ATOM 376 C GLY A 40 -13.397 -14.120 -19.218 1.00 0.00 C ATOM 377 O GLY A 40 -13.196 -13.315 -18.310 1.00 0.00 O ATOM 0 H GLY A 40 -13.377 -17.030 -19.622 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.882 -15.537 -18.649 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.590 -14.763 -20.193 1.00 0.00 H new ATOM 381 N TYR A 41 -14.501 -14.120 -19.960 1.00 0.00 N ATOM 382 CA TYR A 41 -15.566 -13.142 -19.745 1.00 0.00 C ATOM 383 C TYR A 41 -16.929 -13.754 -20.014 1.00 0.00 C ATOM 384 O TYR A 41 -17.038 -14.834 -20.594 1.00 0.00 O ATOM 385 CB TYR A 41 -15.362 -11.928 -20.654 1.00 0.00 C ATOM 386 CG TYR A 41 -15.043 -12.394 -22.048 1.00 0.00 C ATOM 387 CD1 TYR A 41 -16.076 -12.702 -22.941 1.00 0.00 C ATOM 388 CD2 TYR A 41 -13.710 -12.519 -22.447 1.00 0.00 C ATOM 389 CE1 TYR A 41 -15.775 -13.136 -24.235 1.00 0.00 C ATOM 390 CE2 TYR A 41 -13.406 -12.955 -23.743 1.00 0.00 C ATOM 391 CZ TYR A 41 -14.440 -13.264 -24.637 1.00 0.00 C ATOM 392 OH TYR A 41 -14.141 -13.693 -25.914 1.00 0.00 O ATOM 0 H TYR A 41 -14.682 -14.783 -20.713 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.525 -12.826 -18.703 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -16.261 -11.311 -20.662 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.552 -11.306 -20.272 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -17.106 -12.604 -22.630 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.915 -12.280 -21.757 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.572 -13.373 -24.925 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.376 -13.053 -24.053 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.168 -13.725 -26.029 1.00 0.00 H new ATOM 402 N ILE A 42 -17.975 -13.050 -19.583 1.00 0.00 N ATOM 403 CA ILE A 42 -19.338 -13.520 -19.778 1.00 0.00 C ATOM 404 C ILE A 42 -20.249 -12.400 -20.271 1.00 0.00 C ATOM 405 O ILE A 42 -20.336 -11.330 -19.678 1.00 0.00 O ATOM 406 CB ILE A 42 -19.897 -14.081 -18.482 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.978 -12.976 -17.416 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.988 -15.216 -17.970 1.00 0.00 C ATOM 409 CD1 ILE A 42 -20.361 -13.577 -16.059 1.00 0.00 C ATOM 0 H ILE A 42 -17.901 -12.155 -19.098 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.306 -14.304 -20.535 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.897 -14.470 -18.672 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -19.018 -12.465 -17.338 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -20.714 -12.228 -17.712 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.393 -15.615 -17.040 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.942 -16.010 -18.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.986 -14.827 -17.791 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -20.415 -12.785 -15.312 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.331 -14.067 -16.139 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.609 -14.307 -15.759 1.00 0.00 H new ATOM 421 N ASN A 43 -20.912 -12.654 -21.378 1.00 0.00 N ATOM 422 CA ASN A 43 -21.805 -11.652 -21.952 1.00 0.00 C ATOM 423 C ASN A 43 -23.069 -11.530 -21.119 1.00 0.00 C ATOM 424 O ASN A 43 -23.268 -12.289 -20.175 1.00 0.00 O ATOM 425 CB ASN A 43 -22.147 -12.001 -23.400 1.00 0.00 C ATOM 426 CG ASN A 43 -23.219 -11.050 -23.943 1.00 0.00 C ATOM 427 OD1 ASN A 43 -24.413 -11.272 -23.734 1.00 0.00 O ATOM 428 ND2 ASN A 43 -22.866 -10.000 -24.631 1.00 0.00 N ATOM 0 H ASN A 43 -20.857 -13.530 -21.898 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.293 -10.690 -21.945 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.251 -11.938 -24.017 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.502 -13.030 -23.458 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.577 -9.366 -24.994 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.879 -9.813 -24.806 1.00 0.00 H new ATOM 435 N CYS A 44 -23.919 -10.565 -21.466 1.00 0.00 N ATOM 436 CA CYS A 44 -25.159 -10.352 -20.732 1.00 0.00 C ATOM 437 C CYS A 44 -26.103 -11.539 -20.912 1.00 0.00 C ATOM 438 O CYS A 44 -27.320 -11.365 -20.975 1.00 0.00 O ATOM 439 CB CYS A 44 -25.846 -9.068 -21.219 1.00 0.00 C ATOM 440 SG CYS A 44 -26.203 -9.209 -22.987 1.00 0.00 S ATOM 0 H CYS A 44 -23.771 -9.924 -22.245 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.918 -10.254 -19.674 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -26.769 -8.903 -20.663 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.204 -8.207 -21.034 1.00 0.00 H new ATOM 0 HG CYS A 44 -25.514 -10.189 -23.492 1.00 0.00 H new ATOM 446 N ARG A 45 -25.541 -12.749 -20.995 1.00 0.00 N ATOM 447 CA ARG A 45 -26.356 -13.947 -21.159 1.00 0.00 C ATOM 448 C ARG A 45 -26.716 -14.527 -19.794 1.00 0.00 C ATOM 449 O ARG A 45 -27.858 -14.432 -19.350 1.00 0.00 O ATOM 450 CB ARG A 45 -25.577 -14.987 -21.968 1.00 0.00 C ATOM 451 CG ARG A 45 -25.391 -14.481 -23.400 1.00 0.00 C ATOM 452 CD ARG A 45 -24.621 -15.522 -24.214 1.00 0.00 C ATOM 453 NE ARG A 45 -24.386 -15.031 -25.567 1.00 0.00 N ATOM 454 CZ ARG A 45 -25.353 -15.030 -26.477 1.00 0.00 C ATOM 455 NH1 ARG A 45 -26.540 -15.476 -26.169 1.00 0.00 N ATOM 456 NH2 ARG A 45 -25.116 -14.584 -27.681 1.00 0.00 N ATOM 0 H ARG A 45 -24.536 -12.920 -20.951 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.273 -13.685 -21.686 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.607 -15.171 -21.507 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.113 -15.936 -21.973 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.361 -14.291 -23.858 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.850 -13.535 -23.395 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -23.670 -15.742 -23.729 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.184 -16.455 -24.251 1.00 0.00 H new ATOM 0 HE ARG A 45 -23.461 -14.682 -25.819 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.725 -15.826 -25.229 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -27.282 -15.475 -26.868 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -24.188 -14.236 -27.923 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -25.859 -14.583 -28.380 1.00 0.00 H new ATOM 470 N ASP A 46 -25.727 -15.117 -19.127 1.00 0.00 N ATOM 471 CA ASP A 46 -25.942 -15.706 -17.806 1.00 0.00 C ATOM 472 C ASP A 46 -25.724 -14.662 -16.721 1.00 0.00 C ATOM 473 O ASP A 46 -25.948 -14.924 -15.540 1.00 0.00 O ATOM 474 CB ASP A 46 -24.992 -16.886 -17.591 1.00 0.00 C ATOM 475 CG ASP A 46 -23.551 -16.444 -17.823 1.00 0.00 C ATOM 476 OD1 ASP A 46 -23.357 -15.313 -18.234 1.00 0.00 O ATOM 477 OD2 ASP A 46 -22.662 -17.248 -17.589 1.00 0.00 O ATOM 0 H ASP A 46 -24.773 -15.200 -19.477 1.00 0.00 H new ATOM 0 HA ASP A 46 -26.970 -16.064 -17.750 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.104 -17.274 -16.578 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.247 -17.697 -18.273 1.00 0.00 H new ATOM 482 N LEU A 47 -25.277 -13.483 -17.127 1.00 0.00 N ATOM 483 CA LEU A 47 -25.022 -12.414 -16.173 1.00 0.00 C ATOM 484 C LEU A 47 -26.256 -12.179 -15.308 1.00 0.00 C ATOM 485 O LEU A 47 -26.160 -12.091 -14.084 1.00 0.00 O ATOM 486 CB LEU A 47 -24.676 -11.122 -16.924 1.00 0.00 C ATOM 487 CG LEU A 47 -24.290 -10.024 -15.922 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.005 -10.420 -15.172 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.068 -8.707 -16.675 1.00 0.00 C ATOM 0 H LEU A 47 -25.085 -13.244 -18.100 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.186 -12.703 -15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.853 -11.302 -17.615 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.529 -10.798 -17.521 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.094 -9.899 -15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.740 -9.635 -14.464 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.171 -11.353 -14.633 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.193 -10.553 -15.887 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.794 -7.925 -15.967 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.267 -8.835 -17.403 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.985 -8.424 -17.191 1.00 0.00 H new ATOM 501 N GLY A 48 -27.414 -12.080 -15.950 1.00 0.00 N ATOM 502 CA GLY A 48 -28.656 -11.860 -15.221 1.00 0.00 C ATOM 503 C GLY A 48 -28.918 -13.005 -14.251 1.00 0.00 C ATOM 504 O GLY A 48 -29.353 -12.785 -13.121 1.00 0.00 O ATOM 0 H GLY A 48 -27.519 -12.148 -16.962 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.601 -10.918 -14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.486 -11.774 -15.923 1.00 0.00 H new ATOM 508 N ASN A 49 -28.653 -14.231 -14.698 1.00 0.00 N ATOM 509 CA ASN A 49 -28.872 -15.403 -13.856 1.00 0.00 C ATOM 510 C ASN A 49 -27.999 -15.338 -12.606 1.00 0.00 C ATOM 511 O ASN A 49 -28.441 -15.687 -11.511 1.00 0.00 O ATOM 512 CB ASN A 49 -28.547 -16.674 -14.647 1.00 0.00 C ATOM 513 CG ASN A 49 -29.674 -16.987 -15.624 1.00 0.00 C ATOM 514 OD1 ASN A 49 -30.727 -17.483 -15.223 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.515 -16.723 -16.893 1.00 0.00 N ATOM 0 H ASN A 49 -28.290 -14.437 -15.629 1.00 0.00 H new ATOM 0 HA ASN A 49 -29.918 -15.421 -13.549 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.611 -16.544 -15.190 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.406 -17.511 -13.963 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.264 -16.928 -17.554 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.642 -16.312 -17.223 1.00 0.00 H new ATOM 522 N CYS A 50 -26.765 -14.888 -12.776 1.00 0.00 N ATOM 523 CA CYS A 50 -25.838 -14.778 -11.656 1.00 0.00 C ATOM 524 C CYS A 50 -26.273 -13.677 -10.693 1.00 0.00 C ATOM 525 O CYS A 50 -26.175 -13.828 -9.475 1.00 0.00 O ATOM 526 CB CYS A 50 -24.417 -14.500 -12.180 1.00 0.00 C ATOM 527 SG CYS A 50 -24.151 -12.715 -12.387 1.00 0.00 S ATOM 0 H CYS A 50 -26.382 -14.594 -13.674 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.840 -15.722 -11.111 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.681 -14.905 -11.485 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.269 -15.008 -13.133 1.00 0.00 H new ATOM 0 HG CYS A 50 -24.825 -12.292 -13.415 1.00 0.00 H new ATOM 533 N MET A 51 -26.738 -12.565 -11.249 1.00 0.00 N ATOM 534 CA MET A 51 -27.160 -11.438 -10.441 1.00 0.00 C ATOM 535 C MET A 51 -28.327 -11.840 -9.561 1.00 0.00 C ATOM 536 O MET A 51 -28.414 -11.431 -8.402 1.00 0.00 O ATOM 537 CB MET A 51 -27.563 -10.266 -11.346 1.00 0.00 C ATOM 538 CG MET A 51 -26.307 -9.599 -11.917 1.00 0.00 C ATOM 539 SD MET A 51 -26.794 -8.243 -13.014 1.00 0.00 S ATOM 540 CE MET A 51 -27.548 -7.182 -11.754 1.00 0.00 C ATOM 0 H MET A 51 -26.831 -12.424 -12.255 1.00 0.00 H new ATOM 0 HA MET A 51 -26.330 -11.126 -9.807 1.00 0.00 H new ATOM 0 HB2 MET A 51 -28.198 -10.622 -12.157 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.146 -9.540 -10.779 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.683 -9.221 -11.108 1.00 0.00 H new ATOM 0 HG3 MET A 51 -25.711 -10.329 -12.465 1.00 0.00 H new ATOM 0 HE1 MET A 51 -27.582 -6.155 -12.117 1.00 0.00 H new ATOM 0 HE2 MET A 51 -28.561 -7.528 -11.546 1.00 0.00 H new ATOM 0 HE3 MET A 51 -26.955 -7.225 -10.840 1.00 0.00 H new ATOM 550 N ARG A 52 -29.227 -12.641 -10.117 1.00 0.00 N ATOM 551 CA ARG A 52 -30.388 -13.088 -9.368 1.00 0.00 C ATOM 552 C ARG A 52 -29.972 -13.978 -8.203 1.00 0.00 C ATOM 553 O ARG A 52 -30.554 -13.914 -7.120 1.00 0.00 O ATOM 554 CB ARG A 52 -31.341 -13.861 -10.282 1.00 0.00 C ATOM 555 CG ARG A 52 -32.002 -12.892 -11.262 1.00 0.00 C ATOM 556 CD ARG A 52 -32.865 -13.676 -12.253 1.00 0.00 C ATOM 557 NE ARG A 52 -33.958 -14.343 -11.554 1.00 0.00 N ATOM 558 CZ ARG A 52 -35.089 -13.700 -11.277 1.00 0.00 C ATOM 559 NH1 ARG A 52 -35.232 -12.452 -11.627 1.00 0.00 N ATOM 560 NH2 ARG A 52 -36.054 -14.317 -10.652 1.00 0.00 N ATOM 0 H ARG A 52 -29.175 -12.990 -11.074 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.895 -12.207 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -30.795 -14.631 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -32.100 -14.369 -9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.615 -12.172 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -31.241 -12.324 -11.797 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -33.266 -13.002 -13.010 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -32.254 -14.413 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 52 -33.853 -15.318 -11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.477 -11.969 -12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -36.099 -11.959 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -35.941 -15.292 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -36.921 -13.824 -10.440 1.00 0.00 H new ATOM 574 N THR A 53 -28.958 -14.804 -8.431 1.00 0.00 N ATOM 575 CA THR A 53 -28.461 -15.702 -7.395 1.00 0.00 C ATOM 576 C THR A 53 -27.852 -14.917 -6.241 1.00 0.00 C ATOM 577 O THR A 53 -28.066 -15.245 -5.074 1.00 0.00 O ATOM 578 CB THR A 53 -27.417 -16.653 -7.981 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.964 -17.314 -9.113 1.00 0.00 O ATOM 580 CG2 THR A 53 -27.014 -17.685 -6.925 1.00 0.00 C ATOM 0 H THR A 53 -28.465 -14.871 -9.321 1.00 0.00 H new ATOM 0 HA THR A 53 -29.303 -16.280 -7.014 1.00 0.00 H new ATOM 0 HB THR A 53 -26.536 -16.086 -8.283 1.00 0.00 H new ATOM 0 HG1 THR A 53 -28.019 -16.686 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 53 -26.270 -18.362 -7.344 1.00 0.00 H new ATOM 0 HG22 THR A 53 -26.593 -17.174 -6.059 1.00 0.00 H new ATOM 0 HG23 THR A 53 -27.892 -18.254 -6.619 1.00 0.00 H new ATOM 588 N MET A 54 -27.085 -13.877 -6.573 1.00 0.00 N ATOM 589 CA MET A 54 -26.435 -13.051 -5.561 1.00 0.00 C ATOM 590 C MET A 54 -26.622 -11.574 -5.883 1.00 0.00 C ATOM 591 O MET A 54 -25.652 -10.841 -6.080 1.00 0.00 O ATOM 592 CB MET A 54 -24.940 -13.374 -5.506 1.00 0.00 C ATOM 593 CG MET A 54 -24.342 -12.807 -4.219 1.00 0.00 C ATOM 594 SD MET A 54 -24.935 -13.777 -2.806 1.00 0.00 S ATOM 595 CE MET A 54 -23.448 -14.782 -2.569 1.00 0.00 C ATOM 0 H MET A 54 -26.901 -13.589 -7.534 1.00 0.00 H new ATOM 0 HA MET A 54 -26.890 -13.265 -4.594 1.00 0.00 H new ATOM 0 HB2 MET A 54 -24.789 -14.453 -5.545 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.433 -12.949 -6.373 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.253 -12.838 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 54 -24.626 -11.761 -4.102 1.00 0.00 H new ATOM 0 HE1 MET A 54 -23.599 -15.463 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 54 -23.250 -15.357 -3.473 1.00 0.00 H new ATOM 0 HE3 MET A 54 -22.599 -14.132 -2.359 1.00 0.00 H new ATOM 605 N GLY A 55 -27.875 -11.148 -5.928 1.00 0.00 N ATOM 606 CA GLY A 55 -28.185 -9.753 -6.218 1.00 0.00 C ATOM 607 C GLY A 55 -29.688 -9.510 -6.182 1.00 0.00 C ATOM 608 O GLY A 55 -30.180 -8.734 -5.363 1.00 0.00 O ATOM 0 H GLY A 55 -28.689 -11.741 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -27.691 -9.108 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.793 -9.486 -7.199 1.00 0.00 H new ATOM 612 N TYR A 56 -30.414 -10.176 -7.078 1.00 0.00 N ATOM 613 CA TYR A 56 -31.867 -10.029 -7.148 1.00 0.00 C ATOM 614 C TYR A 56 -32.275 -8.580 -6.905 1.00 0.00 C ATOM 615 O TYR A 56 -32.549 -8.183 -5.771 1.00 0.00 O ATOM 616 CB TYR A 56 -32.529 -10.929 -6.105 1.00 0.00 C ATOM 617 CG TYR A 56 -34.030 -10.819 -6.223 1.00 0.00 C ATOM 618 CD1 TYR A 56 -34.697 -11.458 -7.275 1.00 0.00 C ATOM 619 CD2 TYR A 56 -34.756 -10.074 -5.284 1.00 0.00 C ATOM 620 CE1 TYR A 56 -36.089 -11.356 -7.387 1.00 0.00 C ATOM 621 CE2 TYR A 56 -36.148 -9.973 -5.397 1.00 0.00 C ATOM 622 CZ TYR A 56 -36.815 -10.613 -6.447 1.00 0.00 C ATOM 623 OH TYR A 56 -38.186 -10.512 -6.558 1.00 0.00 O ATOM 0 H TYR A 56 -30.022 -10.821 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 56 -32.196 -10.321 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -32.217 -11.963 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -32.210 -10.639 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -34.138 -12.030 -8.001 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -34.242 -9.578 -4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -36.603 -11.850 -8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -36.708 -9.400 -4.672 1.00 0.00 H new ATOM 0 HH TYR A 56 -38.534 -9.962 -5.825 1.00 0.00 H new ATOM 633 N MET A 57 -32.303 -7.791 -7.973 1.00 0.00 N ATOM 634 CA MET A 57 -32.665 -6.389 -7.855 1.00 0.00 C ATOM 635 C MET A 57 -34.146 -6.247 -7.506 1.00 0.00 C ATOM 636 O MET A 57 -34.952 -7.126 -7.811 1.00 0.00 O ATOM 637 CB MET A 57 -32.358 -5.654 -9.174 1.00 0.00 C ATOM 638 CG MET A 57 -30.935 -5.086 -9.136 1.00 0.00 C ATOM 639 SD MET A 57 -30.383 -4.739 -10.821 1.00 0.00 S ATOM 640 CE MET A 57 -28.847 -3.898 -10.374 1.00 0.00 C ATOM 0 H MET A 57 -32.081 -8.097 -8.920 1.00 0.00 H new ATOM 0 HA MET A 57 -32.076 -5.942 -7.054 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.463 -6.339 -10.015 1.00 0.00 H new ATOM 0 HB3 MET A 57 -33.076 -4.849 -9.327 1.00 0.00 H new ATOM 0 HG2 MET A 57 -30.911 -4.175 -8.539 1.00 0.00 H new ATOM 0 HG3 MET A 57 -30.260 -5.797 -8.660 1.00 0.00 H new ATOM 0 HE1 MET A 57 -28.078 -4.128 -11.112 1.00 0.00 H new ATOM 0 HE2 MET A 57 -29.016 -2.821 -10.349 1.00 0.00 H new ATOM 0 HE3 MET A 57 -28.519 -4.237 -9.391 1.00 0.00 H new ATOM 650 N PRO A 58 -34.509 -5.163 -6.871 1.00 0.00 N ATOM 651 CA PRO A 58 -35.918 -4.904 -6.465 1.00 0.00 C ATOM 652 C PRO A 58 -36.853 -4.749 -7.662 1.00 0.00 C ATOM 653 O PRO A 58 -37.872 -5.430 -7.757 1.00 0.00 O ATOM 654 CB PRO A 58 -35.831 -3.597 -5.658 1.00 0.00 C ATOM 655 CG PRO A 58 -34.577 -2.931 -6.122 1.00 0.00 C ATOM 656 CD PRO A 58 -33.614 -4.059 -6.471 1.00 0.00 C ATOM 0 HA PRO A 58 -36.335 -5.735 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -36.701 -2.966 -5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -35.797 -3.797 -4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -34.768 -2.298 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -34.163 -2.290 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.940 -3.776 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -32.992 -4.334 -5.619 1.00 0.00 H new ATOM 664 N THR A 59 -36.505 -3.837 -8.568 1.00 0.00 N ATOM 665 CA THR A 59 -37.331 -3.585 -9.743 1.00 0.00 C ATOM 666 C THR A 59 -36.875 -4.445 -10.909 1.00 0.00 C ATOM 667 O THR A 59 -35.678 -4.660 -11.105 1.00 0.00 O ATOM 668 CB THR A 59 -37.248 -2.107 -10.127 1.00 0.00 C ATOM 669 OG1 THR A 59 -35.891 -1.695 -10.116 1.00 0.00 O ATOM 670 CG2 THR A 59 -38.043 -1.263 -9.128 1.00 0.00 C ATOM 0 H THR A 59 -35.663 -3.265 -8.510 1.00 0.00 H new ATOM 0 HA THR A 59 -38.364 -3.840 -9.504 1.00 0.00 H new ATOM 0 HB THR A 59 -37.667 -1.971 -11.124 1.00 0.00 H new ATOM 0 HG1 THR A 59 -35.821 -0.790 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 59 -37.979 -0.212 -9.408 1.00 0.00 H new ATOM 0 HG22 THR A 59 -39.087 -1.578 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 59 -37.630 -1.398 -8.128 1.00 0.00 H new ATOM 678 N GLU A 60 -37.835 -4.936 -11.677 1.00 0.00 N ATOM 679 CA GLU A 60 -37.529 -5.778 -12.826 1.00 0.00 C ATOM 680 C GLU A 60 -36.928 -4.944 -13.947 1.00 0.00 C ATOM 681 O GLU A 60 -36.303 -5.475 -14.863 1.00 0.00 O ATOM 682 CB GLU A 60 -38.795 -6.482 -13.318 1.00 0.00 C ATOM 683 CG GLU A 60 -39.315 -7.444 -12.238 1.00 0.00 C ATOM 684 CD GLU A 60 -40.127 -6.681 -11.196 1.00 0.00 C ATOM 685 OE1 GLU A 60 -40.182 -5.466 -11.289 1.00 0.00 O ATOM 686 OE2 GLU A 60 -40.685 -7.324 -10.320 1.00 0.00 O ATOM 0 H GLU A 60 -38.830 -4.768 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 60 -36.803 -6.531 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.561 -5.745 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -38.582 -7.032 -14.235 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.933 -8.216 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -38.477 -7.949 -11.758 1.00 0.00 H new ATOM 693 N MET A 61 -37.122 -3.636 -13.869 1.00 0.00 N ATOM 694 CA MET A 61 -36.590 -2.734 -14.882 1.00 0.00 C ATOM 695 C MET A 61 -35.116 -2.463 -14.626 1.00 0.00 C ATOM 696 O MET A 61 -34.370 -2.138 -15.548 1.00 0.00 O ATOM 697 CB MET A 61 -37.380 -1.420 -14.882 1.00 0.00 C ATOM 698 CG MET A 61 -38.814 -1.686 -15.351 1.00 0.00 C ATOM 699 SD MET A 61 -39.741 -0.129 -15.391 1.00 0.00 S ATOM 700 CE MET A 61 -40.064 0.011 -13.613 1.00 0.00 C ATOM 0 H MET A 61 -37.640 -3.177 -13.120 1.00 0.00 H new ATOM 0 HA MET A 61 -36.691 -3.205 -15.860 1.00 0.00 H new ATOM 0 HB2 MET A 61 -37.388 -0.988 -13.881 1.00 0.00 H new ATOM 0 HB3 MET A 61 -36.900 -0.695 -15.539 1.00 0.00 H new ATOM 0 HG2 MET A 61 -38.805 -2.141 -16.342 1.00 0.00 H new ATOM 0 HG3 MET A 61 -39.301 -2.394 -14.680 1.00 0.00 H new ATOM 0 HE1 MET A 61 -41.137 -0.047 -13.433 1.00 0.00 H new ATOM 0 HE2 MET A 61 -39.564 -0.802 -13.087 1.00 0.00 H new ATOM 0 HE3 MET A 61 -39.686 0.966 -13.249 1.00 0.00 H new ATOM 710 N GLU A 62 -34.701 -2.600 -13.371 1.00 0.00 N ATOM 711 CA GLU A 62 -33.310 -2.378 -13.014 1.00 0.00 C ATOM 712 C GLU A 62 -32.489 -3.608 -13.372 1.00 0.00 C ATOM 713 O GLU A 62 -31.302 -3.513 -13.670 1.00 0.00 O ATOM 714 CB GLU A 62 -33.185 -2.085 -11.521 1.00 0.00 C ATOM 715 CG GLU A 62 -31.769 -1.598 -11.212 1.00 0.00 C ATOM 716 CD GLU A 62 -31.563 -0.203 -11.795 1.00 0.00 C ATOM 717 OE1 GLU A 62 -32.536 0.377 -12.249 1.00 0.00 O ATOM 718 OE2 GLU A 62 -30.436 0.263 -11.781 1.00 0.00 O ATOM 0 H GLU A 62 -35.305 -2.862 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.935 -1.518 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.913 -1.329 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.406 -2.983 -10.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -31.608 -1.579 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -31.037 -2.289 -11.631 1.00 0.00 H new ATOM 725 N LEU A 63 -33.134 -4.768 -13.341 1.00 0.00 N ATOM 726 CA LEU A 63 -32.457 -6.013 -13.679 1.00 0.00 C ATOM 727 C LEU A 63 -32.475 -6.232 -15.188 1.00 0.00 C ATOM 728 O LEU A 63 -31.630 -6.945 -15.728 1.00 0.00 O ATOM 729 CB LEU A 63 -33.144 -7.198 -12.991 1.00 0.00 C ATOM 730 CG LEU A 63 -32.168 -8.391 -12.895 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.324 -8.273 -11.621 1.00 0.00 C ATOM 732 CD2 LEU A 63 -32.959 -9.701 -12.856 1.00 0.00 C ATOM 0 H LEU A 63 -34.116 -4.872 -13.088 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.425 -5.944 -13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.476 -6.908 -11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -34.033 -7.489 -13.551 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.512 -8.384 -13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.638 -9.118 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.755 -7.344 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.979 -8.273 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -32.268 -10.541 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -33.618 -9.702 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -33.555 -9.793 -13.764 1.00 0.00 H new ATOM 744 N ILE A 64 -33.451 -5.620 -15.866 1.00 0.00 N ATOM 745 CA ILE A 64 -33.568 -5.768 -17.312 1.00 0.00 C ATOM 746 C ILE A 64 -32.905 -4.603 -18.032 1.00 0.00 C ATOM 747 O ILE A 64 -31.845 -4.757 -18.637 1.00 0.00 O ATOM 748 CB ILE A 64 -35.043 -5.842 -17.703 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.649 -7.137 -17.154 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.174 -5.821 -19.227 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.170 -7.092 -17.307 1.00 0.00 C ATOM 0 H ILE A 64 -34.161 -5.025 -15.439 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.063 -6.688 -17.607 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.572 -4.986 -17.286 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.244 -7.996 -17.689 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.382 -7.260 -16.104 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.227 -5.874 -19.502 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.743 -4.899 -19.617 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.645 -6.675 -19.649 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.602 -8.013 -16.917 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.566 -6.242 -16.752 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.427 -6.989 -18.361 1.00 0.00 H new ATOM 763 N GLU A 65 -33.541 -3.436 -17.961 1.00 0.00 N ATOM 764 CA GLU A 65 -33.016 -2.248 -18.621 1.00 0.00 C ATOM 765 C GLU A 65 -31.506 -2.169 -18.442 1.00 0.00 C ATOM 766 O GLU A 65 -30.789 -1.713 -19.331 1.00 0.00 O ATOM 767 CB GLU A 65 -33.669 -0.991 -18.039 1.00 0.00 C ATOM 768 CG GLU A 65 -33.430 0.194 -18.979 1.00 0.00 C ATOM 769 CD GLU A 65 -34.258 0.023 -20.250 1.00 0.00 C ATOM 770 OE1 GLU A 65 -35.058 -0.897 -20.294 1.00 0.00 O ATOM 771 OE2 GLU A 65 -34.080 0.815 -21.160 1.00 0.00 O ATOM 0 H GLU A 65 -34.415 -3.290 -17.456 1.00 0.00 H new ATOM 0 HA GLU A 65 -33.245 -2.312 -19.685 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -34.739 -1.153 -17.906 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.254 -0.776 -17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -33.700 1.125 -18.481 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -32.372 0.263 -19.230 1.00 0.00 H new ATOM 778 N LEU A 66 -31.031 -2.625 -17.290 1.00 0.00 N ATOM 779 CA LEU A 66 -29.601 -2.604 -17.013 1.00 0.00 C ATOM 780 C LEU A 66 -28.861 -3.570 -17.935 1.00 0.00 C ATOM 781 O LEU A 66 -28.028 -3.163 -18.738 1.00 0.00 O ATOM 782 CB LEU A 66 -29.345 -2.998 -15.555 1.00 0.00 C ATOM 783 CG LEU A 66 -27.837 -3.019 -15.267 1.00 0.00 C ATOM 784 CD1 LEU A 66 -27.236 -1.631 -15.535 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.610 -3.406 -13.804 1.00 0.00 C ATOM 0 H LEU A 66 -31.607 -3.009 -16.541 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.232 -1.593 -17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.840 -2.292 -14.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.774 -3.980 -15.356 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.352 -3.747 -15.918 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.166 -1.652 -15.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.400 -1.359 -16.578 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.716 -0.896 -14.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -26.541 -3.423 -13.594 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.096 -2.677 -13.155 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.031 -4.394 -13.619 1.00 0.00 H new ATOM 797 N SER A 67 -29.169 -4.855 -17.814 1.00 0.00 N ATOM 798 CA SER A 67 -28.508 -5.862 -18.637 1.00 0.00 C ATOM 799 C SER A 67 -28.500 -5.415 -20.088 1.00 0.00 C ATOM 800 O SER A 67 -27.449 -5.353 -20.724 1.00 0.00 O ATOM 801 CB SER A 67 -29.254 -7.189 -18.510 1.00 0.00 C ATOM 802 OG SER A 67 -28.846 -8.063 -19.551 1.00 0.00 O ATOM 0 H SER A 67 -29.863 -5.222 -17.163 1.00 0.00 H new ATOM 0 HA SER A 67 -27.480 -5.989 -18.298 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.050 -7.642 -17.540 1.00 0.00 H new ATOM 0 HB3 SER A 67 -30.330 -7.020 -18.563 1.00 0.00 H new ATOM 0 HG SER A 67 -29.323 -8.915 -19.469 1.00 0.00 H new ATOM 808 N GLN A 68 -29.668 -5.097 -20.609 1.00 0.00 N ATOM 809 CA GLN A 68 -29.767 -4.653 -21.992 1.00 0.00 C ATOM 810 C GLN A 68 -28.848 -3.462 -22.232 1.00 0.00 C ATOM 811 O GLN A 68 -28.410 -3.223 -23.357 1.00 0.00 O ATOM 812 CB GLN A 68 -31.220 -4.269 -22.319 1.00 0.00 C ATOM 813 CG GLN A 68 -32.095 -5.524 -22.371 1.00 0.00 C ATOM 814 CD GLN A 68 -33.538 -5.143 -22.693 1.00 0.00 C ATOM 815 OE1 GLN A 68 -34.045 -5.482 -23.763 1.00 0.00 O ATOM 816 NE2 GLN A 68 -34.234 -4.458 -21.829 1.00 0.00 N ATOM 0 H GLN A 68 -30.554 -5.136 -20.106 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.459 -5.470 -22.644 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.601 -3.581 -21.565 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.260 -3.748 -23.275 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.715 -6.211 -23.127 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -32.053 -6.046 -21.415 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -33.814 -4.178 -20.943 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -35.199 -4.203 -22.039 1.00 0.00 H new ATOM 825 N GLN A 69 -28.550 -2.725 -21.167 1.00 0.00 N ATOM 826 CA GLN A 69 -27.665 -1.574 -21.285 1.00 0.00 C ATOM 827 C GLN A 69 -26.256 -2.064 -21.612 1.00 0.00 C ATOM 828 O GLN A 69 -25.573 -1.507 -22.471 1.00 0.00 O ATOM 829 CB GLN A 69 -27.661 -0.775 -19.977 1.00 0.00 C ATOM 830 CG GLN A 69 -27.190 0.651 -20.250 1.00 0.00 C ATOM 831 CD GLN A 69 -27.146 1.436 -18.948 1.00 0.00 C ATOM 832 OE1 GLN A 69 -26.410 1.078 -18.029 1.00 0.00 O ATOM 833 NE2 GLN A 69 -27.901 2.489 -18.810 1.00 0.00 N ATOM 0 H GLN A 69 -28.903 -2.901 -20.226 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.017 -0.920 -22.083 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -28.661 -0.762 -19.544 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.005 -1.253 -19.249 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.202 0.636 -20.710 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -27.863 1.137 -20.956 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -28.510 2.783 -19.573 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -27.883 3.019 -17.939 1.00 0.00 H new ATOM 842 N ILE A 70 -25.841 -3.123 -20.923 1.00 0.00 N ATOM 843 CA ILE A 70 -24.525 -3.705 -21.150 1.00 0.00 C ATOM 844 C ILE A 70 -24.404 -4.129 -22.608 1.00 0.00 C ATOM 845 O ILE A 70 -23.347 -3.980 -23.223 1.00 0.00 O ATOM 846 CB ILE A 70 -24.304 -4.917 -20.229 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.146 -4.436 -18.786 1.00 0.00 C ATOM 848 CG2 ILE A 70 -23.035 -5.675 -20.652 1.00 0.00 C ATOM 849 CD1 ILE A 70 -24.185 -5.642 -17.845 1.00 0.00 C ATOM 0 H ILE A 70 -26.395 -3.593 -20.207 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.764 -2.959 -20.923 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.163 -5.584 -20.305 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.204 -3.900 -18.670 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.944 -3.737 -18.534 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.887 -6.531 -19.994 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -23.144 -6.021 -21.680 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.174 -5.010 -20.582 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -24.073 -5.304 -16.815 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -25.138 -6.159 -17.955 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.372 -6.324 -18.094 1.00 0.00 H new ATOM 861 N ASN A 71 -25.490 -4.664 -23.157 1.00 0.00 N ATOM 862 CA ASN A 71 -25.476 -5.112 -24.540 1.00 0.00 C ATOM 863 C ASN A 71 -25.106 -3.965 -25.472 1.00 0.00 C ATOM 864 O ASN A 71 -24.353 -4.150 -26.429 1.00 0.00 O ATOM 865 CB ASN A 71 -26.851 -5.651 -24.921 1.00 0.00 C ATOM 866 CG ASN A 71 -26.833 -6.168 -26.355 1.00 0.00 C ATOM 867 OD1 ASN A 71 -25.893 -5.900 -27.103 1.00 0.00 O ATOM 868 ND2 ASN A 71 -27.824 -6.899 -26.784 1.00 0.00 N ATOM 0 H ASN A 71 -26.377 -4.796 -22.672 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.731 -5.901 -24.640 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.137 -6.453 -24.241 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.599 -4.865 -24.819 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -27.821 -7.250 -27.742 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.602 -7.120 -26.162 1.00 0.00 H new ATOM 875 N MET A 72 -25.643 -2.782 -25.194 1.00 0.00 N ATOM 876 CA MET A 72 -25.369 -1.615 -26.024 1.00 0.00 C ATOM 877 C MET A 72 -24.143 -0.859 -25.527 1.00 0.00 C ATOM 878 O MET A 72 -23.068 -0.942 -26.123 1.00 0.00 O ATOM 879 CB MET A 72 -26.578 -0.680 -26.002 1.00 0.00 C ATOM 880 CG MET A 72 -27.807 -1.414 -26.543 1.00 0.00 C ATOM 881 SD MET A 72 -27.533 -1.890 -28.268 1.00 0.00 S ATOM 882 CE MET A 72 -27.467 -0.221 -28.965 1.00 0.00 C ATOM 0 H MET A 72 -26.266 -2.606 -24.406 1.00 0.00 H new ATOM 0 HA MET A 72 -25.174 -1.958 -27.040 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.766 -0.337 -24.985 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.376 0.205 -26.605 1.00 0.00 H new ATOM 0 HG2 MET A 72 -28.007 -2.300 -25.940 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.686 -0.773 -26.469 1.00 0.00 H new ATOM 0 HE1 MET A 72 -27.728 -0.258 -30.023 1.00 0.00 H new ATOM 0 HE2 MET A 72 -28.173 0.421 -28.439 1.00 0.00 H new ATOM 0 HE3 MET A 72 -26.460 0.180 -28.854 1.00 0.00 H new ATOM 892 N ASN A 73 -24.311 -0.114 -24.438 1.00 0.00 N ATOM 893 CA ASN A 73 -23.216 0.668 -23.879 1.00 0.00 C ATOM 894 C ASN A 73 -21.906 -0.098 -23.940 1.00 0.00 C ATOM 895 O ASN A 73 -21.150 0.027 -24.902 1.00 0.00 O ATOM 896 CB ASN A 73 -23.521 1.039 -22.426 1.00 0.00 C ATOM 897 CG ASN A 73 -22.352 1.816 -21.831 1.00 0.00 C ATOM 898 OD1 ASN A 73 -21.685 2.574 -22.536 1.00 0.00 O ATOM 899 ND2 ASN A 73 -22.061 1.673 -20.567 1.00 0.00 N ATOM 0 H ASN A 73 -25.191 -0.036 -23.928 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.116 1.575 -24.476 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.430 1.639 -22.378 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.704 0.137 -21.842 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -21.280 2.189 -20.162 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.614 1.045 -19.984 1.00 0.00 H new ATOM 906 N LEU A 74 -21.638 -0.882 -22.903 1.00 0.00 N ATOM 907 CA LEU A 74 -20.402 -1.655 -22.839 1.00 0.00 C ATOM 908 C LEU A 74 -20.024 -2.202 -24.213 1.00 0.00 C ATOM 909 O LEU A 74 -19.187 -1.632 -24.912 1.00 0.00 O ATOM 910 CB LEU A 74 -20.560 -2.818 -21.855 1.00 0.00 C ATOM 911 CG LEU A 74 -19.208 -3.516 -21.649 1.00 0.00 C ATOM 912 CD1 LEU A 74 -18.201 -2.548 -20.999 1.00 0.00 C ATOM 913 CD2 LEU A 74 -19.405 -4.741 -20.750 1.00 0.00 C ATOM 0 H LEU A 74 -22.255 -1.000 -22.099 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.608 -0.991 -22.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.938 -2.450 -20.901 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.293 -3.530 -22.235 1.00 0.00 H new ATOM 0 HG LEU A 74 -18.815 -3.829 -22.616 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.247 -3.056 -20.859 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -18.060 -1.682 -21.646 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.583 -2.220 -20.032 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -18.448 -5.240 -20.601 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -19.804 -4.425 -19.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -20.104 -5.431 -21.223 1.00 0.00 H new ATOM 925 N GLY A 75 -20.648 -3.309 -24.592 1.00 0.00 N ATOM 926 CA GLY A 75 -20.367 -3.925 -25.881 1.00 0.00 C ATOM 927 C GLY A 75 -20.965 -5.324 -25.961 1.00 0.00 C ATOM 928 O GLY A 75 -21.096 -5.888 -27.047 1.00 0.00 O ATOM 0 H GLY A 75 -21.347 -3.796 -24.030 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.774 -3.306 -26.680 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.289 -3.977 -26.036 1.00 0.00 H new ATOM 932 N GLY A 76 -21.329 -5.883 -24.804 1.00 0.00 N ATOM 933 CA GLY A 76 -21.919 -7.220 -24.752 1.00 0.00 C ATOM 934 C GLY A 76 -21.140 -8.126 -23.822 1.00 0.00 C ATOM 935 O GLY A 76 -21.718 -8.749 -22.938 1.00 0.00 O ATOM 0 H GLY A 76 -21.226 -5.432 -23.895 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.953 -7.151 -24.415 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.938 -7.651 -25.753 1.00 0.00 H new ATOM 939 N HIS A 77 -19.833 -8.191 -24.024 1.00 0.00 N ATOM 940 CA HIS A 77 -18.980 -9.042 -23.201 1.00 0.00 C ATOM 941 C HIS A 77 -18.676 -8.378 -21.875 1.00 0.00 C ATOM 942 O HIS A 77 -18.512 -7.161 -21.808 1.00 0.00 O ATOM 943 CB HIS A 77 -17.667 -9.326 -23.934 1.00 0.00 C ATOM 944 CG HIS A 77 -17.964 -9.987 -25.249 1.00 0.00 C ATOM 945 ND1 HIS A 77 -19.181 -9.834 -25.894 1.00 0.00 N ATOM 946 CD2 HIS A 77 -17.214 -10.806 -26.057 1.00 0.00 C ATOM 947 CE1 HIS A 77 -19.129 -10.545 -27.035 1.00 0.00 C ATOM 948 NE2 HIS A 77 -17.951 -11.157 -27.183 1.00 0.00 N ATOM 0 H HIS A 77 -19.339 -7.668 -24.747 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.510 -9.976 -23.014 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.120 -8.397 -24.096 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.030 -9.969 -23.327 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -16.204 -11.129 -25.849 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -19.940 -10.613 -27.744 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -17.655 -11.754 -27.956 1.00 0.00 H new ATOM 956 N VAL A 78 -18.585 -9.183 -20.812 1.00 0.00 N ATOM 957 CA VAL A 78 -18.280 -8.639 -19.484 1.00 0.00 C ATOM 958 C VAL A 78 -17.164 -9.438 -18.820 1.00 0.00 C ATOM 959 O VAL A 78 -17.269 -10.651 -18.667 1.00 0.00 O ATOM 960 CB VAL A 78 -19.537 -8.678 -18.612 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.395 -7.703 -17.443 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.747 -8.286 -19.462 1.00 0.00 C ATOM 0 H VAL A 78 -18.715 -10.194 -20.842 1.00 0.00 H new ATOM 0 HA VAL A 78 -17.947 -7.607 -19.596 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.672 -9.685 -18.217 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.295 -7.738 -16.829 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.532 -7.982 -16.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.257 -6.692 -17.827 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.647 -8.311 -18.848 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.605 -7.279 -19.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.853 -8.987 -20.290 1.00 0.00 H new ATOM 972 N ASP A 79 -16.097 -8.752 -18.418 1.00 0.00 N ATOM 973 CA ASP A 79 -14.968 -9.411 -17.765 1.00 0.00 C ATOM 974 C ASP A 79 -15.161 -9.453 -16.263 1.00 0.00 C ATOM 975 O ASP A 79 -15.782 -8.562 -15.682 1.00 0.00 O ATOM 976 CB ASP A 79 -13.675 -8.659 -18.091 1.00 0.00 C ATOM 977 CG ASP A 79 -13.361 -8.771 -19.582 1.00 0.00 C ATOM 978 OD1 ASP A 79 -12.830 -9.796 -19.979 1.00 0.00 O ATOM 979 OD2 ASP A 79 -13.657 -7.833 -20.302 1.00 0.00 O ATOM 0 H ASP A 79 -15.990 -7.744 -18.532 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.906 -10.434 -18.136 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.775 -7.610 -17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.851 -9.068 -17.507 1.00 0.00 H new ATOM 984 N PHE A 80 -14.626 -10.496 -15.638 1.00 0.00 N ATOM 985 CA PHE A 80 -14.742 -10.643 -14.191 1.00 0.00 C ATOM 986 C PHE A 80 -14.537 -9.291 -13.510 1.00 0.00 C ATOM 987 O PHE A 80 -15.001 -9.070 -12.393 1.00 0.00 O ATOM 988 CB PHE A 80 -13.694 -11.646 -13.680 1.00 0.00 C ATOM 989 CG PHE A 80 -13.561 -11.525 -12.175 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.656 -11.812 -11.356 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.350 -11.111 -11.604 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.543 -11.689 -9.967 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.235 -10.991 -10.215 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.333 -11.279 -9.396 1.00 0.00 C ATOM 0 H PHE A 80 -14.113 -11.245 -16.104 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.739 -11.015 -13.953 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.987 -12.661 -13.948 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.732 -11.456 -14.156 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.590 -12.129 -11.795 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.505 -10.884 -12.237 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.390 -11.911 -9.335 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.300 -10.677 -9.775 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.246 -11.185 -8.324 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.837 -8.393 -14.188 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.574 -7.073 -13.633 1.00 0.00 C ATOM 1006 C ASP A 81 -14.804 -6.189 -13.771 1.00 0.00 C ATOM 1007 O ASP A 81 -15.214 -5.524 -12.819 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.387 -6.427 -14.352 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.940 -5.175 -13.603 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -12.324 -5.026 -12.455 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -11.217 -4.385 -14.189 1.00 0.00 O ATOM 0 H ASP A 81 -13.444 -8.552 -15.116 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.334 -7.181 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.561 -7.136 -14.417 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.667 -6.169 -15.373 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.391 -6.196 -14.962 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.581 -5.399 -15.218 1.00 0.00 C ATOM 1018 C ASP A 82 -17.752 -5.927 -14.406 1.00 0.00 C ATOM 1019 O ASP A 82 -18.517 -5.156 -13.841 1.00 0.00 O ATOM 1020 CB ASP A 82 -16.922 -5.420 -16.709 1.00 0.00 C ATOM 1021 CG ASP A 82 -15.907 -4.595 -17.490 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -15.107 -3.922 -16.859 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -15.942 -4.649 -18.708 1.00 0.00 O ATOM 0 H ASP A 82 -15.064 -6.741 -15.760 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.382 -4.370 -14.919 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.926 -6.447 -17.075 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.924 -5.022 -16.866 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.877 -7.245 -14.344 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.952 -7.862 -13.584 1.00 0.00 C ATOM 1030 C PHE A 83 -18.873 -7.422 -12.123 1.00 0.00 C ATOM 1031 O PHE A 83 -19.884 -7.065 -11.516 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.851 -9.395 -13.693 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.418 -10.045 -12.447 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.780 -9.933 -12.157 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.572 -10.736 -11.572 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.297 -10.518 -10.995 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.087 -11.321 -10.415 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.448 -11.213 -10.123 1.00 0.00 C ATOM 0 H PHE A 83 -17.251 -7.903 -14.808 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.912 -7.545 -13.991 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.394 -9.741 -14.572 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.810 -9.690 -13.825 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.433 -9.396 -12.828 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.518 -10.817 -11.793 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.350 -10.434 -10.771 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.432 -11.858 -9.745 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.846 -11.664 -9.226 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.671 -7.456 -11.571 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.467 -7.059 -10.189 1.00 0.00 C ATOM 1050 C VAL A 84 -17.675 -5.556 -10.035 1.00 0.00 C ATOM 1051 O VAL A 84 -18.289 -5.098 -9.070 1.00 0.00 O ATOM 1052 CB VAL A 84 -16.052 -7.442 -9.734 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.734 -6.756 -8.400 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.975 -8.959 -9.541 1.00 0.00 C ATOM 0 H VAL A 84 -16.825 -7.753 -12.057 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.193 -7.580 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.334 -7.124 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.729 -7.030 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.793 -5.675 -8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.454 -7.075 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.971 -9.234 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.697 -9.267 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.202 -9.458 -10.483 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.147 -4.797 -10.987 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.262 -3.349 -10.944 1.00 0.00 C ATOM 1066 C GLU A 85 -18.718 -2.924 -11.038 1.00 0.00 C ATOM 1067 O GLU A 85 -19.158 -2.017 -10.332 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.469 -2.726 -12.096 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.488 -1.201 -11.965 1.00 0.00 C ATOM 1070 CD GLU A 85 -15.640 -0.572 -13.065 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -14.883 -1.298 -13.690 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -15.758 0.626 -13.265 1.00 0.00 O ATOM 0 H GLU A 85 -16.638 -5.160 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.856 -3.000 -9.994 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.442 -3.090 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.900 -3.025 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.513 -0.835 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.106 -0.907 -10.987 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.459 -3.577 -11.918 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.863 -3.245 -12.101 1.00 0.00 C ATOM 1081 C LEU A 86 -21.630 -3.467 -10.799 1.00 0.00 C ATOM 1082 O LEU A 86 -22.479 -2.664 -10.416 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.469 -4.116 -13.220 1.00 0.00 C ATOM 1084 CG LEU A 86 -22.569 -3.336 -13.958 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -23.608 -2.827 -12.947 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -21.943 -2.141 -14.724 1.00 0.00 C ATOM 0 H LEU A 86 -19.117 -4.333 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.942 -2.195 -12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.690 -4.414 -13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.883 -5.031 -12.796 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.061 -3.996 -14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.387 -2.274 -13.473 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -24.053 -3.674 -12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.122 -2.171 -12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -22.727 -1.592 -15.245 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -21.443 -1.478 -14.018 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -21.218 -2.513 -15.448 1.00 0.00 H new ATOM 1098 N MET A 87 -21.321 -4.561 -10.125 1.00 0.00 N ATOM 1099 CA MET A 87 -21.993 -4.879 -8.875 1.00 0.00 C ATOM 1100 C MET A 87 -21.721 -3.797 -7.843 1.00 0.00 C ATOM 1101 O MET A 87 -22.615 -3.390 -7.102 1.00 0.00 O ATOM 1102 CB MET A 87 -21.504 -6.228 -8.348 1.00 0.00 C ATOM 1103 CG MET A 87 -22.141 -7.357 -9.157 1.00 0.00 C ATOM 1104 SD MET A 87 -21.575 -8.952 -8.514 1.00 0.00 S ATOM 1105 CE MET A 87 -22.508 -8.932 -6.960 1.00 0.00 C ATOM 0 H MET A 87 -20.617 -5.239 -10.417 1.00 0.00 H new ATOM 0 HA MET A 87 -23.066 -4.933 -9.059 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.418 -6.285 -8.418 1.00 0.00 H new ATOM 0 HB3 MET A 87 -21.761 -6.333 -7.294 1.00 0.00 H new ATOM 0 HG2 MET A 87 -23.228 -7.293 -9.098 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.873 -7.261 -10.209 1.00 0.00 H new ATOM 0 HE1 MET A 87 -22.792 -9.950 -6.693 1.00 0.00 H new ATOM 0 HE2 MET A 87 -21.889 -8.509 -6.169 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.405 -8.325 -7.082 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.479 -3.328 -7.802 1.00 0.00 N ATOM 1116 CA GLY A 88 -20.099 -2.283 -6.858 1.00 0.00 C ATOM 1117 C GLY A 88 -19.568 -2.885 -5.558 1.00 0.00 C ATOM 1118 O GLY A 88 -19.370 -4.098 -5.462 1.00 0.00 O ATOM 0 H GLY A 88 -19.723 -3.651 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.337 -1.644 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.960 -1.650 -6.645 1.00 0.00 H new ATOM 1122 N PRO A 89 -19.327 -2.062 -4.570 1.00 0.00 N ATOM 1123 CA PRO A 89 -18.798 -2.522 -3.251 1.00 0.00 C ATOM 1124 C PRO A 89 -19.838 -3.312 -2.464 1.00 0.00 C ATOM 1125 O PRO A 89 -19.499 -4.075 -1.558 1.00 0.00 O ATOM 1126 CB PRO A 89 -18.417 -1.218 -2.531 1.00 0.00 C ATOM 1127 CG PRO A 89 -19.255 -0.151 -3.164 1.00 0.00 C ATOM 1128 CD PRO A 89 -19.539 -0.603 -4.599 1.00 0.00 C ATOM 0 HA PRO A 89 -17.955 -3.204 -3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -18.614 -1.289 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -17.355 -1.002 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.184 -0.011 -2.612 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -18.733 0.806 -3.156 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -20.557 -0.355 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.869 -0.118 -5.309 1.00 0.00 H new ATOM 1136 N LYS A 90 -21.104 -3.121 -2.814 1.00 0.00 N ATOM 1137 CA LYS A 90 -22.181 -3.819 -2.131 1.00 0.00 C ATOM 1138 C LYS A 90 -23.466 -3.759 -2.949 1.00 0.00 C ATOM 1139 O LYS A 90 -23.961 -4.781 -3.421 1.00 0.00 O ATOM 1140 CB LYS A 90 -22.421 -3.187 -0.756 1.00 0.00 C ATOM 1141 CG LYS A 90 -23.252 -4.142 0.121 1.00 0.00 C ATOM 1142 CD LYS A 90 -22.322 -5.105 0.866 1.00 0.00 C ATOM 1143 CE LYS A 90 -23.149 -6.018 1.768 1.00 0.00 C ATOM 1144 NZ LYS A 90 -22.236 -6.916 2.528 1.00 0.00 N ATOM 0 H LYS A 90 -21.406 -2.494 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 90 -21.891 -4.863 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -21.468 -2.972 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -22.942 -2.236 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -23.846 -3.571 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -23.951 -4.704 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.751 -5.700 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -21.602 -4.544 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -23.748 -5.422 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -23.843 -6.608 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -22.796 -7.540 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.683 -7.493 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.591 -6.344 3.109 1.00 0.00 H new ATOM 1158 N LEU A 91 -24.001 -2.553 -3.107 1.00 0.00 N ATOM 1159 CA LEU A 91 -25.231 -2.368 -3.867 1.00 0.00 C ATOM 1160 C LEU A 91 -25.007 -2.732 -5.333 1.00 0.00 C ATOM 1161 O LEU A 91 -24.390 -3.756 -5.579 1.00 0.00 O ATOM 1162 CB LEU A 91 -25.695 -0.910 -3.759 1.00 0.00 C ATOM 1163 CG LEU A 91 -26.380 -0.686 -2.408 1.00 0.00 C ATOM 1164 CD1 LEU A 91 -25.390 -0.973 -1.276 1.00 0.00 C ATOM 1165 CD2 LEU A 91 -26.858 0.764 -2.316 1.00 0.00 C ATOM 0 H LEU A 91 -23.606 -1.695 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.000 -3.022 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -24.843 -0.238 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -26.384 -0.676 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 91 -27.234 -1.357 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -25.879 -0.813 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -25.051 -2.007 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -24.534 -0.304 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -27.346 0.926 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -26.004 1.435 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -27.565 0.966 -3.121 1.00 0.00 H new TER 1177 LEU A 91 HETATM 1178 CA CA A 301 -16.069 -17.517 -20.926 1.00 0.00 CA