USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 78 ASN : amide:sc= 0.833 K(o=1.6,f=-0.59) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.737 K(o=1.6,f=-2.9!) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.33 K(o=2.4,f=0.72) USER MOD Set 2.2: A 87 CYS SG : rot -70:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0789 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.066) USER MOD Single : A 26 LYS NZ :NH3+ -107:sc= 1.53 (180deg=-0.546!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.0212 X(o=0.021,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.0665 (180deg=-0.422) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 1.17 (180deg=0.263) USER MOD Single : A 54 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.72) USER MOD Single : A 55 MET CE :methyl 162:sc= -0.244 (180deg=-0.716) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.7!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 68:sc= 0.0537 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 117:sc= -0.536 USER MOD Single : A 85 SER OG : rot 180:sc=-0.00256 USER MOD Single : A 88 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 1.01 (180deg=0.245) USER MOD Single : A 93 ASN : amide:sc= -0.0039 X(o=-0.0039,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.923 21.722 -20.769 1.00 18.66 N ATOM 2 CA GLY A 1 2.160 22.226 -21.332 1.00 18.87 C ATOM 3 C GLY A 1 2.486 21.576 -22.659 1.00 18.23 C ATOM 4 O GLY A 1 1.639 20.909 -23.256 1.00 18.31 O ATOM 0 H1 GLY A 1 0.302 22.520 -20.526 1.00 18.66 H new ATOM 0 H2 GLY A 1 0.448 21.113 -21.465 1.00 18.66 H new ATOM 0 H3 GLY A 1 1.131 21.171 -19.911 1.00 18.66 H new ATOM 0 HA2 GLY A 1 2.084 23.305 -21.466 1.00 18.87 H new ATOM 0 HA3 GLY A 1 2.976 22.048 -20.631 1.00 18.87 H new ATOM 8 N ALA A 2 3.718 21.759 -23.118 1.00 17.70 N ATOM 9 CA ALA A 2 4.158 21.190 -24.385 1.00 17.18 C ATOM 10 C ALA A 2 4.332 19.680 -24.270 1.00 16.38 C ATOM 11 O ALA A 2 4.223 18.953 -25.256 1.00 16.21 O ATOM 12 CB ALA A 2 5.456 21.845 -24.838 1.00 17.38 C ATOM 0 H ALA A 2 4.432 22.299 -22.629 1.00 17.70 H new ATOM 0 HA ALA A 2 3.390 21.386 -25.133 1.00 17.18 H new ATOM 0 HB1 ALA A 2 5.772 21.409 -25.786 1.00 17.38 H new ATOM 0 HB2 ALA A 2 5.298 22.916 -24.966 1.00 17.38 H new ATOM 0 HB3 ALA A 2 6.229 21.679 -24.087 1.00 17.38 H new ATOM 18 N LYS A 3 4.601 19.213 -23.061 1.00 16.02 N ATOM 19 CA LYS A 3 4.767 17.793 -22.821 1.00 15.35 C ATOM 20 C LYS A 3 3.551 17.214 -22.118 1.00 14.78 C ATOM 21 O LYS A 3 3.487 17.169 -20.889 1.00 14.87 O ATOM 22 CB LYS A 3 6.038 17.526 -22.011 1.00 15.66 C ATOM 23 CG LYS A 3 7.317 17.686 -22.817 1.00 16.14 C ATOM 24 CD LYS A 3 7.420 16.623 -23.901 1.00 16.34 C ATOM 25 CE LYS A 3 8.651 16.821 -24.764 1.00 16.93 C ATOM 26 NZ LYS A 3 8.765 15.782 -25.820 1.00 17.44 N ATOM 0 H LYS A 3 4.709 19.798 -22.233 1.00 16.02 H new ATOM 0 HA LYS A 3 4.866 17.297 -23.787 1.00 15.35 H new ATOM 0 HB2 LYS A 3 6.067 18.207 -21.160 1.00 15.66 H new ATOM 0 HB3 LYS A 3 5.996 16.514 -21.608 1.00 15.66 H new ATOM 0 HG2 LYS A 3 7.342 18.676 -23.271 1.00 16.14 H new ATOM 0 HG3 LYS A 3 8.179 17.618 -22.154 1.00 16.14 H new ATOM 0 HD2 LYS A 3 7.453 15.636 -23.441 1.00 16.34 H new ATOM 0 HD3 LYS A 3 6.528 16.653 -24.527 1.00 16.34 H new ATOM 0 HE2 LYS A 3 8.613 17.807 -25.228 1.00 16.93 H new ATOM 0 HE3 LYS A 3 9.541 16.798 -24.136 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 9.620 15.955 -26.386 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 8.827 14.843 -25.378 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 7.928 15.820 -26.436 1.00 17.44 H new ATOM 40 N GLY A 4 2.577 16.804 -22.913 1.00 14.34 N ATOM 41 CA GLY A 4 1.398 16.160 -22.381 1.00 13.91 C ATOM 42 C GLY A 4 1.340 14.711 -22.799 1.00 13.19 C ATOM 43 O GLY A 4 0.664 14.366 -23.770 1.00 13.08 O ATOM 0 H GLY A 4 2.584 16.908 -23.928 1.00 14.34 H new ATOM 0 HA2 GLY A 4 1.401 16.229 -21.293 1.00 13.91 H new ATOM 0 HA3 GLY A 4 0.506 16.679 -22.731 1.00 13.91 H new ATOM 47 N ASP A 5 2.071 13.865 -22.087 1.00 12.83 N ATOM 48 CA ASP A 5 2.189 12.459 -22.457 1.00 12.29 C ATOM 49 C ASP A 5 1.112 11.598 -21.803 1.00 11.32 C ATOM 50 O ASP A 5 0.172 12.109 -21.194 1.00 11.07 O ATOM 51 CB ASP A 5 3.586 11.928 -22.125 1.00 12.76 C ATOM 52 CG ASP A 5 4.614 12.352 -23.155 1.00 13.25 C ATOM 53 OD1 ASP A 5 5.528 13.129 -22.815 1.00 13.69 O ATOM 54 OD2 ASP A 5 4.498 11.917 -24.320 1.00 13.33 O ATOM 0 H ASP A 5 2.592 14.126 -21.250 1.00 12.83 H new ATOM 0 HA ASP A 5 2.038 12.396 -23.535 1.00 12.29 H new ATOM 0 HB2 ASP A 5 3.887 12.290 -21.142 1.00 12.76 H new ATOM 0 HB3 ASP A 5 3.556 10.840 -22.069 1.00 12.76 H new ATOM 59 N LEU A 6 1.265 10.286 -21.937 1.00 10.94 N ATOM 60 CA LEU A 6 0.237 9.335 -21.533 1.00 10.15 C ATOM 61 C LEU A 6 0.113 9.217 -20.021 1.00 9.46 C ATOM 62 O LEU A 6 1.046 8.792 -19.342 1.00 9.68 O ATOM 63 CB LEU A 6 0.540 7.954 -22.122 1.00 10.29 C ATOM 64 CG LEU A 6 0.640 7.902 -23.645 1.00 10.86 C ATOM 65 CD1 LEU A 6 0.914 6.482 -24.115 1.00 11.39 C ATOM 66 CD2 LEU A 6 -0.631 8.439 -24.278 1.00 10.88 C ATOM 0 H LEU A 6 2.102 9.853 -22.327 1.00 10.94 H new ATOM 0 HA LEU A 6 -0.711 9.712 -21.916 1.00 10.15 H new ATOM 0 HB2 LEU A 6 1.479 7.595 -21.700 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -0.239 7.262 -21.802 1.00 10.29 H new ATOM 0 HG LEU A 6 1.473 8.532 -23.958 1.00 10.86 H new ATOM 0 HD11 LEU A 6 0.982 6.465 -25.203 1.00 11.39 H new ATOM 0 HD12 LEU A 6 1.854 6.132 -23.687 1.00 11.39 H new ATOM 0 HD13 LEU A 6 0.103 5.829 -23.792 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -0.543 8.395 -25.364 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -1.480 7.835 -23.958 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -0.783 9.473 -23.968 1.00 10.88 H new ATOM 78 N VAL A 7 -1.051 9.587 -19.506 1.00 8.82 N ATOM 79 CA VAL A 7 -1.375 9.369 -18.106 1.00 8.29 C ATOM 80 C VAL A 7 -2.475 8.313 -17.986 1.00 7.44 C ATOM 81 O VAL A 7 -3.528 8.411 -18.628 1.00 7.11 O ATOM 82 CB VAL A 7 -1.803 10.682 -17.399 1.00 8.29 C ATOM 83 CG1 VAL A 7 -3.001 11.321 -18.088 1.00 8.14 C ATOM 84 CG2 VAL A 7 -2.103 10.436 -15.924 1.00 8.52 C ATOM 0 H VAL A 7 -1.790 10.042 -20.042 1.00 8.82 H new ATOM 0 HA VAL A 7 -0.475 9.012 -17.606 1.00 8.29 H new ATOM 0 HB VAL A 7 -0.966 11.377 -17.469 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -3.274 12.238 -17.567 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -2.745 11.553 -19.122 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -3.843 10.629 -18.070 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -2.401 11.372 -15.452 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -2.912 9.711 -15.833 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -1.211 10.049 -15.431 1.00 8.52 H new ATOM 94 N SER A 8 -2.213 7.279 -17.207 1.00 7.35 N ATOM 95 CA SER A 8 -3.203 6.243 -16.962 1.00 6.76 C ATOM 96 C SER A 8 -4.143 6.679 -15.846 1.00 6.25 C ATOM 97 O SER A 8 -3.835 6.527 -14.662 1.00 6.60 O ATOM 98 CB SER A 8 -2.513 4.925 -16.606 1.00 7.45 C ATOM 99 OG SER A 8 -1.546 4.586 -17.587 1.00 7.95 O ATOM 0 H SER A 8 -1.322 7.133 -16.732 1.00 7.35 H new ATOM 0 HA SER A 8 -3.788 6.087 -17.868 1.00 6.76 H new ATOM 0 HB2 SER A 8 -2.034 5.011 -15.630 1.00 7.45 H new ATOM 0 HB3 SER A 8 -3.254 4.130 -16.528 1.00 7.45 H new ATOM 0 HG SER A 8 -1.114 3.741 -17.342 1.00 7.95 H new ATOM 105 N PHE A 9 -5.277 7.252 -16.234 1.00 5.71 N ATOM 106 CA PHE A 9 -6.206 7.828 -15.272 1.00 5.49 C ATOM 107 C PHE A 9 -7.615 7.894 -15.847 1.00 4.56 C ATOM 108 O PHE A 9 -8.599 7.694 -15.139 1.00 4.58 O ATOM 109 CB PHE A 9 -5.728 9.231 -14.874 1.00 5.95 C ATOM 110 CG PHE A 9 -6.653 9.962 -13.943 1.00 6.09 C ATOM 111 CD1 PHE A 9 -6.706 9.628 -12.600 1.00 6.22 C ATOM 112 CD2 PHE A 9 -7.474 10.973 -14.412 1.00 6.41 C ATOM 113 CE1 PHE A 9 -7.560 10.288 -11.742 1.00 6.69 C ATOM 114 CE2 PHE A 9 -8.331 11.638 -13.557 1.00 6.91 C ATOM 115 CZ PHE A 9 -8.352 11.335 -12.228 1.00 7.07 C ATOM 0 H PHE A 9 -5.574 7.329 -17.207 1.00 5.71 H new ATOM 0 HA PHE A 9 -6.234 7.190 -14.388 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -4.749 9.148 -14.402 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -5.597 9.826 -15.777 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -6.071 8.841 -12.220 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -7.444 11.245 -15.457 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -7.617 9.999 -10.703 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -8.988 12.403 -13.944 1.00 6.91 H new ATOM 0 HZ PHE A 9 -8.977 11.900 -11.553 1.00 7.07 H new ATOM 125 N ARG A 10 -7.706 8.173 -17.138 1.00 4.03 N ATOM 126 CA ARG A 10 -8.996 8.330 -17.793 1.00 3.33 C ATOM 127 C ARG A 10 -9.581 6.994 -18.226 1.00 2.88 C ATOM 128 O ARG A 10 -8.961 5.949 -18.052 1.00 3.18 O ATOM 129 CB ARG A 10 -8.863 9.276 -18.982 1.00 3.50 C ATOM 130 CG ARG A 10 -8.921 10.734 -18.575 1.00 3.95 C ATOM 131 CD ARG A 10 -10.337 11.117 -18.172 1.00 4.08 C ATOM 132 NE ARG A 10 -10.384 12.354 -17.397 1.00 4.93 N ATOM 133 CZ ARG A 10 -11.493 13.070 -17.202 1.00 5.72 C ATOM 134 NH1 ARG A 10 -12.613 12.769 -17.854 1.00 5.83 N ATOM 135 NH2 ARG A 10 -11.470 14.117 -16.387 1.00 6.67 N ATOM 0 H ARG A 10 -6.902 8.295 -17.753 1.00 4.03 H new ATOM 0 HA ARG A 10 -9.689 8.760 -17.070 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -7.919 9.082 -19.492 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -9.660 9.070 -19.697 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -8.239 10.913 -17.744 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -8.589 11.362 -19.402 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -10.948 11.230 -19.068 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -10.776 10.309 -17.587 1.00 4.08 H new ATOM 0 HE ARG A 10 -9.517 12.691 -16.979 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -12.628 11.986 -18.508 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -13.457 13.321 -17.700 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -10.605 14.374 -15.911 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -12.317 14.665 -16.237 1.00 6.67 H new ATOM 149 N ILE A 11 -10.781 7.049 -18.790 1.00 2.34 N ATOM 150 CA ILE A 11 -11.514 5.853 -19.178 1.00 1.99 C ATOM 151 C ILE A 11 -10.850 5.170 -20.377 1.00 1.73 C ATOM 152 O ILE A 11 -10.730 5.759 -21.453 1.00 1.72 O ATOM 153 CB ILE A 11 -12.981 6.196 -19.517 1.00 1.97 C ATOM 154 CG1 ILE A 11 -13.647 6.948 -18.355 1.00 2.38 C ATOM 155 CG2 ILE A 11 -13.765 4.939 -19.848 1.00 2.00 C ATOM 156 CD1 ILE A 11 -13.695 6.166 -17.052 1.00 2.89 C ATOM 0 H ILE A 11 -11.271 7.921 -18.990 1.00 2.34 H new ATOM 0 HA ILE A 11 -11.499 5.166 -18.332 1.00 1.99 H new ATOM 0 HB ILE A 11 -12.981 6.844 -20.393 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -13.110 7.881 -18.186 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -14.664 7.213 -18.644 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -14.796 5.204 -20.084 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -13.312 4.444 -20.707 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -13.751 4.265 -18.991 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -14.180 6.768 -16.284 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -14.259 5.245 -17.201 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -12.681 5.923 -16.736 1.00 2.89 H new ATOM 168 N ASP A 12 -10.418 3.929 -20.183 1.00 1.73 N ATOM 169 CA ASP A 12 -9.686 3.201 -21.216 1.00 1.71 C ATOM 170 C ASP A 12 -10.614 2.513 -22.209 1.00 1.43 C ATOM 171 O ASP A 12 -10.262 2.362 -23.380 1.00 1.54 O ATOM 172 CB ASP A 12 -8.734 2.183 -20.588 1.00 2.04 C ATOM 173 CG ASP A 12 -7.549 2.852 -19.929 1.00 2.64 C ATOM 174 OD1 ASP A 12 -6.606 3.245 -20.652 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.561 3.000 -18.690 1.00 2.90 O ATOM 0 H ASP A 12 -10.561 3.405 -19.320 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.105 3.938 -21.771 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.273 1.589 -19.850 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.382 1.494 -21.355 1.00 2.04 H new ATOM 180 N GLU A 13 -11.808 2.119 -21.759 1.00 1.24 N ATOM 181 CA GLU A 13 -12.784 1.475 -22.652 1.00 1.15 C ATOM 182 C GLU A 13 -13.270 2.453 -23.722 1.00 1.28 C ATOM 183 O GLU A 13 -13.989 2.082 -24.650 1.00 1.50 O ATOM 184 CB GLU A 13 -13.983 0.923 -21.871 1.00 1.15 C ATOM 185 CG GLU A 13 -14.638 1.942 -20.955 1.00 1.58 C ATOM 186 CD GLU A 13 -16.127 1.729 -20.796 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.536 0.686 -20.247 1.00 2.35 O ATOM 188 OE2 GLU A 13 -16.899 2.618 -21.210 1.00 2.96 O ATOM 0 H GLU A 13 -12.123 2.231 -20.795 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.277 0.641 -23.136 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.726 0.553 -22.577 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.656 0.070 -21.276 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -14.164 1.897 -19.974 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -14.461 2.943 -21.349 1.00 1.58 H new ATOM 195 N SER A 14 -12.862 3.707 -23.581 1.00 1.27 N ATOM 196 CA SER A 14 -13.183 4.740 -24.548 1.00 1.50 C ATOM 197 C SER A 14 -12.396 4.508 -25.836 1.00 1.59 C ATOM 198 O SER A 14 -12.824 4.899 -26.921 1.00 1.85 O ATOM 199 CB SER A 14 -12.840 6.116 -23.967 1.00 1.61 C ATOM 200 OG SER A 14 -13.396 7.158 -24.745 1.00 2.31 O ATOM 0 H SER A 14 -12.301 4.033 -22.794 1.00 1.27 H new ATOM 0 HA SER A 14 -14.249 4.702 -24.772 1.00 1.50 H new ATOM 0 HB2 SER A 14 -13.213 6.184 -22.945 1.00 1.61 H new ATOM 0 HB3 SER A 14 -11.757 6.233 -23.920 1.00 1.61 H new ATOM 0 HG SER A 14 -13.161 8.023 -24.349 1.00 2.31 H new ATOM 206 N GLY A 15 -11.251 3.840 -25.710 1.00 1.50 N ATOM 207 CA GLY A 15 -10.367 3.677 -26.846 1.00 1.67 C ATOM 208 C GLY A 15 -9.694 4.984 -27.197 1.00 1.66 C ATOM 209 O GLY A 15 -9.669 5.387 -28.359 1.00 1.86 O ATOM 0 H GLY A 15 -10.923 3.412 -24.844 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -9.612 2.924 -26.620 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -10.933 3.313 -27.703 1.00 1.67 H new ATOM 213 N ARG A 16 -9.172 5.650 -26.174 1.00 1.69 N ATOM 214 CA ARG A 16 -8.523 6.940 -26.344 1.00 1.95 C ATOM 215 C ARG A 16 -7.363 6.854 -27.325 1.00 1.94 C ATOM 216 O ARG A 16 -6.424 6.086 -27.138 1.00 1.95 O ATOM 217 CB ARG A 16 -8.060 7.488 -24.992 1.00 2.42 C ATOM 218 CG ARG A 16 -7.385 6.458 -24.101 1.00 2.50 C ATOM 219 CD ARG A 16 -6.998 7.066 -22.766 1.00 2.87 C ATOM 220 NE ARG A 16 -6.479 6.072 -21.829 1.00 3.47 N ATOM 221 CZ ARG A 16 -5.600 6.337 -20.865 1.00 4.27 C ATOM 222 NH1 ARG A 16 -5.095 7.561 -20.731 1.00 4.62 N ATOM 223 NH2 ARG A 16 -5.235 5.373 -20.033 1.00 5.03 N ATOM 0 H ARG A 16 -9.187 5.313 -25.211 1.00 1.69 H new ATOM 0 HA ARG A 16 -9.253 7.632 -26.764 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -7.368 8.312 -25.164 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -8.921 7.899 -24.465 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -8.057 5.615 -23.940 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -6.497 6.068 -24.598 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -6.245 7.838 -22.926 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -7.868 7.555 -22.327 1.00 2.87 H new ATOM 0 HE ARG A 16 -6.812 5.112 -21.920 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -5.381 8.303 -21.369 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -4.422 7.757 -19.990 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -5.627 4.437 -20.134 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -4.562 5.567 -19.291 1.00 5.03 H new ATOM 237 N ALA A 17 -7.450 7.676 -28.365 1.00 2.02 N ATOM 238 CA ALA A 17 -6.490 7.688 -29.470 1.00 2.12 C ATOM 239 C ALA A 17 -5.059 7.956 -29.008 1.00 2.12 C ATOM 240 O ALA A 17 -4.109 7.737 -29.757 1.00 2.20 O ATOM 241 CB ALA A 17 -6.917 8.712 -30.506 1.00 2.37 C ATOM 0 H ALA A 17 -8.197 8.362 -28.468 1.00 2.02 H new ATOM 0 HA ALA A 17 -6.490 6.692 -29.913 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -6.201 8.719 -31.328 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -7.905 8.453 -30.888 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -6.953 9.700 -30.048 1.00 2.37 H new ATOM 247 N ALA A 18 -4.910 8.426 -27.777 1.00 2.11 N ATOM 248 CA ALA A 18 -3.604 8.775 -27.244 1.00 2.25 C ATOM 249 C ALA A 18 -2.730 7.529 -27.081 1.00 2.18 C ATOM 250 O ALA A 18 -1.505 7.607 -27.171 1.00 2.38 O ATOM 251 CB ALA A 18 -3.761 9.501 -25.913 1.00 2.35 C ATOM 0 H ALA A 18 -5.682 8.574 -27.128 1.00 2.11 H new ATOM 0 HA ALA A 18 -3.108 9.441 -27.950 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -2.777 9.759 -25.521 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -4.342 10.411 -26.061 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -4.276 8.853 -25.204 1.00 2.35 H new ATOM 257 N CYS A 19 -3.356 6.375 -26.868 1.00 1.97 N ATOM 258 CA CYS A 19 -2.616 5.123 -26.790 1.00 1.94 C ATOM 259 C CYS A 19 -3.422 3.997 -27.420 1.00 1.77 C ATOM 260 O CYS A 19 -4.587 3.787 -27.080 1.00 1.77 O ATOM 261 CB CYS A 19 -2.291 4.787 -25.331 1.00 2.16 C ATOM 262 SG CYS A 19 -1.257 3.317 -25.109 1.00 2.75 S ATOM 0 H CYS A 19 -4.365 6.282 -26.748 1.00 1.97 H new ATOM 0 HA CYS A 19 -1.681 5.236 -27.339 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -1.787 5.641 -24.879 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -3.225 4.644 -24.788 1.00 2.16 H new ATOM 0 HG CYS A 19 -1.041 3.125 -23.841 1.00 2.75 H new ATOM 268 N VAL A 20 -2.787 3.268 -28.329 1.00 1.71 N ATOM 269 CA VAL A 20 -3.424 2.149 -28.998 1.00 1.67 C ATOM 270 C VAL A 20 -2.382 1.358 -29.794 1.00 1.62 C ATOM 271 O VAL A 20 -1.497 1.940 -30.420 1.00 1.57 O ATOM 272 CB VAL A 20 -4.580 2.622 -29.918 1.00 1.72 C ATOM 273 CG1 VAL A 20 -4.063 3.504 -31.049 1.00 1.74 C ATOM 274 CG2 VAL A 20 -5.362 1.435 -30.466 1.00 1.88 C ATOM 0 H VAL A 20 -1.824 3.436 -28.619 1.00 1.71 H new ATOM 0 HA VAL A 20 -3.859 1.498 -28.240 1.00 1.67 H new ATOM 0 HB VAL A 20 -5.259 3.223 -29.313 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -4.898 3.819 -31.676 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -3.572 4.382 -30.630 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -3.349 2.942 -31.651 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -6.166 1.794 -31.108 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -4.695 0.795 -31.044 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -5.785 0.865 -29.639 1.00 1.88 H new ATOM 284 N ASN A 21 -2.463 0.034 -29.741 1.00 1.71 N ATOM 285 CA ASN A 21 -1.497 -0.810 -30.441 1.00 1.70 C ATOM 286 C ASN A 21 -2.020 -1.190 -31.825 1.00 1.72 C ATOM 287 O ASN A 21 -1.276 -1.684 -32.674 1.00 2.62 O ATOM 288 CB ASN A 21 -1.194 -2.075 -29.629 1.00 1.73 C ATOM 289 CG ASN A 21 0.020 -2.831 -30.152 1.00 2.10 C ATOM 290 OD1 ASN A 21 0.950 -2.236 -30.695 1.00 2.71 O ATOM 291 ND2 ASN A 21 0.022 -4.147 -30.000 1.00 2.48 N ATOM 0 H ASN A 21 -3.180 -0.477 -29.226 1.00 1.71 H new ATOM 0 HA ASN A 21 -0.574 -0.242 -30.558 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -1.026 -1.802 -28.587 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -2.063 -2.732 -29.650 1.00 1.73 H new ATOM 0 HD21 ASN A 21 0.811 -4.698 -30.338 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -0.765 -4.609 -29.545 1.00 2.48 H new ATOM 298 N ALA A 22 -3.303 -0.952 -32.047 1.00 1.05 N ATOM 299 CA ALA A 22 -3.932 -1.258 -33.322 1.00 0.99 C ATOM 300 C ALA A 22 -4.380 0.018 -34.017 1.00 1.10 C ATOM 301 O ALA A 22 -4.187 1.120 -33.500 1.00 1.95 O ATOM 302 CB ALA A 22 -5.119 -2.189 -33.127 1.00 0.96 C ATOM 0 H ALA A 22 -3.933 -0.545 -31.355 1.00 1.05 H new ATOM 0 HA ALA A 22 -3.196 -1.760 -33.950 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -5.575 -2.405 -34.093 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -4.781 -3.119 -32.669 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -5.853 -1.711 -32.478 1.00 0.96 H new ATOM 308 N VAL A 23 -4.996 -0.135 -35.178 1.00 0.94 N ATOM 309 CA VAL A 23 -5.463 1.005 -35.948 1.00 0.99 C ATOM 310 C VAL A 23 -6.861 1.449 -35.522 1.00 1.04 C ATOM 311 O VAL A 23 -7.838 1.218 -36.237 1.00 1.72 O ATOM 312 CB VAL A 23 -5.453 0.718 -37.465 1.00 1.12 C ATOM 313 CG1 VAL A 23 -4.048 0.867 -38.023 1.00 1.60 C ATOM 314 CG2 VAL A 23 -5.995 -0.676 -37.763 1.00 1.68 C ATOM 0 H VAL A 23 -5.184 -1.040 -35.608 1.00 0.94 H new ATOM 0 HA VAL A 23 -4.763 1.815 -35.741 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.103 1.446 -37.950 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -4.058 0.661 -39.093 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -3.695 1.884 -37.852 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -3.382 0.163 -37.524 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -5.976 -0.851 -38.839 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -5.376 -1.421 -37.263 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -7.020 -0.753 -37.400 1.00 1.68 H new ATOM 324 N ARG A 24 -6.932 2.080 -34.343 1.00 0.69 N ATOM 325 CA ARG A 24 -8.171 2.663 -33.795 1.00 0.69 C ATOM 326 C ARG A 24 -9.405 1.782 -34.030 1.00 0.61 C ATOM 327 O ARG A 24 -10.473 2.265 -34.405 1.00 0.84 O ATOM 328 CB ARG A 24 -8.383 4.100 -34.329 1.00 0.85 C ATOM 329 CG ARG A 24 -8.206 4.277 -35.836 1.00 0.94 C ATOM 330 CD ARG A 24 -9.503 4.069 -36.604 1.00 1.08 C ATOM 331 NE ARG A 24 -10.467 5.142 -36.352 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.469 5.456 -37.171 1.00 2.12 C ATOM 333 NH1 ARG A 24 -11.652 4.776 -38.297 1.00 2.44 N ATOM 334 NH2 ARG A 24 -12.279 6.459 -36.867 1.00 2.92 N ATOM 0 H ARG A 24 -6.124 2.203 -33.733 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.045 2.714 -32.713 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -9.388 4.424 -34.059 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -7.686 4.765 -33.819 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -7.824 5.278 -36.039 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -7.457 3.571 -36.196 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -9.288 4.018 -37.671 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -9.943 3.113 -36.321 1.00 1.08 H new ATOM 0 HE ARG A 24 -10.364 5.684 -35.494 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -11.024 4.009 -38.538 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -12.421 5.020 -38.921 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -12.134 6.989 -36.007 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -13.047 6.702 -37.493 1.00 2.92 H new ATOM 348 N GLN A 25 -9.262 0.493 -33.761 1.00 0.44 N ATOM 349 CA GLN A 25 -10.338 -0.459 -34.005 1.00 0.43 C ATOM 350 C GLN A 25 -10.544 -1.368 -32.802 1.00 0.37 C ATOM 351 O GLN A 25 -9.682 -2.191 -32.489 1.00 0.49 O ATOM 352 CB GLN A 25 -10.011 -1.309 -35.237 1.00 0.48 C ATOM 353 CG GLN A 25 -11.104 -2.302 -35.612 1.00 0.64 C ATOM 354 CD GLN A 25 -12.402 -1.633 -36.019 1.00 0.76 C ATOM 355 OE1 GLN A 25 -13.258 -1.350 -35.183 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.559 -1.388 -37.309 1.00 1.34 N ATOM 0 H GLN A 25 -8.413 0.081 -33.374 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.256 0.102 -34.178 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.829 -0.648 -36.084 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.085 -1.855 -35.054 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.752 -2.928 -36.432 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.293 -2.962 -34.766 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -11.823 -1.639 -37.969 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.416 -0.948 -37.644 1.00 1.34 H new ATOM 365 N LYS A 26 -11.678 -1.225 -32.133 1.00 0.26 N ATOM 366 CA LYS A 26 -11.999 -2.098 -31.015 1.00 0.21 C ATOM 367 C LYS A 26 -13.092 -3.081 -31.394 1.00 0.24 C ATOM 368 O LYS A 26 -14.164 -2.697 -31.859 1.00 0.43 O ATOM 369 CB LYS A 26 -12.452 -1.324 -29.775 1.00 0.30 C ATOM 370 CG LYS A 26 -11.421 -0.359 -29.209 1.00 0.69 C ATOM 371 CD LYS A 26 -11.868 1.090 -29.350 1.00 1.08 C ATOM 372 CE LYS A 26 -13.193 1.362 -28.638 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.152 1.023 -27.186 1.00 2.11 N ATOM 0 H LYS A 26 -12.385 -0.520 -32.342 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.078 -2.629 -30.774 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.354 -0.764 -30.023 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.724 -2.039 -28.998 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -11.249 -0.586 -28.157 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.471 -0.498 -29.724 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.099 1.746 -28.943 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.970 1.335 -30.407 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -13.452 2.414 -28.753 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -13.983 0.785 -29.119 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -13.699 0.155 -27.017 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -12.166 0.873 -26.892 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -13.562 1.804 -26.635 1.00 2.11 H new ATOM 387 N LYS A 27 -12.805 -4.353 -31.202 1.00 0.12 N ATOM 388 CA LYS A 27 -13.794 -5.398 -31.346 1.00 0.12 C ATOM 389 C LYS A 27 -14.227 -5.872 -29.964 1.00 0.13 C ATOM 390 O LYS A 27 -13.439 -5.852 -29.026 1.00 0.19 O ATOM 391 CB LYS A 27 -13.212 -6.560 -32.149 1.00 0.14 C ATOM 392 CG LYS A 27 -12.996 -6.243 -33.617 1.00 0.19 C ATOM 393 CD LYS A 27 -14.308 -6.137 -34.382 1.00 0.28 C ATOM 394 CE LYS A 27 -14.070 -5.682 -35.813 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.285 -5.812 -36.662 1.00 1.27 N ATOM 0 H LYS A 27 -11.878 -4.690 -30.942 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.661 -5.010 -31.880 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.260 -6.854 -31.707 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -13.880 -7.417 -32.067 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.448 -5.305 -33.708 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.377 -7.019 -34.067 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -14.811 -7.104 -34.383 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -14.971 -5.433 -33.878 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.742 -4.643 -35.810 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.262 -6.270 -36.248 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.070 -5.489 -37.627 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -15.585 -6.807 -36.689 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.050 -5.230 -36.265 1.00 1.27 H new ATOM 409 N ARG A 28 -15.476 -6.278 -29.829 1.00 0.10 N ATOM 410 CA ARG A 28 -15.972 -6.766 -28.547 1.00 0.12 C ATOM 411 C ARG A 28 -16.548 -8.161 -28.687 1.00 0.09 C ATOM 412 O ARG A 28 -17.391 -8.409 -29.550 1.00 0.15 O ATOM 413 CB ARG A 28 -17.012 -5.816 -27.948 1.00 0.19 C ATOM 414 CG ARG A 28 -16.403 -4.525 -27.419 1.00 0.29 C ATOM 415 CD ARG A 28 -17.305 -3.842 -26.408 1.00 0.29 C ATOM 416 NE ARG A 28 -18.458 -3.194 -27.031 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.786 -1.918 -26.831 1.00 1.15 C ATOM 418 NH1 ARG A 28 -18.018 -1.137 -26.073 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.878 -1.417 -27.394 1.00 1.65 N ATOM 0 H ARG A 28 -16.164 -6.281 -30.582 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.124 -6.807 -27.863 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.756 -5.576 -28.707 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.535 -6.323 -27.138 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.440 -4.741 -26.957 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.212 -3.847 -28.251 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.654 -4.577 -25.683 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.729 -3.099 -25.857 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.044 -3.750 -27.654 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -17.174 -1.515 -25.642 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -18.274 -0.161 -25.923 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -20.467 -2.009 -27.980 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -20.129 -0.440 -27.241 1.00 1.65 H new ATOM 433 N ALA A 29 -16.081 -9.061 -27.832 1.00 0.08 N ATOM 434 CA ALA A 29 -16.491 -10.458 -27.862 1.00 0.07 C ATOM 435 C ALA A 29 -16.302 -11.096 -26.495 1.00 0.06 C ATOM 436 O ALA A 29 -15.847 -10.448 -25.553 1.00 0.08 O ATOM 437 CB ALA A 29 -15.710 -11.236 -28.914 1.00 0.08 C ATOM 0 H ALA A 29 -15.407 -8.843 -27.098 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.548 -10.492 -28.126 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.037 -12.276 -28.914 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.889 -10.799 -29.897 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.645 -11.190 -28.685 1.00 0.08 H new ATOM 443 N THR A 30 -16.650 -12.363 -26.393 1.00 0.06 N ATOM 444 CA THR A 30 -16.545 -13.077 -25.137 1.00 0.06 C ATOM 445 C THR A 30 -15.321 -13.989 -25.146 1.00 0.06 C ATOM 446 O THR A 30 -14.938 -14.508 -26.200 1.00 0.08 O ATOM 447 CB THR A 30 -17.807 -13.923 -24.886 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.838 -13.530 -25.805 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.303 -13.746 -23.457 1.00 0.11 C ATOM 0 H THR A 30 -17.009 -12.921 -27.168 1.00 0.06 H new ATOM 0 HA THR A 30 -16.444 -12.342 -24.339 1.00 0.06 H new ATOM 0 HB THR A 30 -17.556 -14.973 -25.037 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.641 -14.070 -25.646 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.195 -14.353 -23.304 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.526 -14.061 -22.761 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.544 -12.697 -23.283 1.00 0.11 H new ATOM 457 N VAL A 31 -14.699 -14.163 -23.988 1.00 0.08 N ATOM 458 CA VAL A 31 -13.564 -15.073 -23.865 1.00 0.10 C ATOM 459 C VAL A 31 -14.015 -16.507 -24.062 1.00 0.11 C ATOM 460 O VAL A 31 -14.873 -17.010 -23.337 1.00 0.14 O ATOM 461 CB VAL A 31 -12.866 -14.961 -22.496 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.603 -15.811 -22.459 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.542 -13.521 -22.175 1.00 0.13 C ATOM 0 H VAL A 31 -14.958 -13.689 -23.123 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.851 -14.787 -24.638 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.553 -15.336 -21.738 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.128 -15.715 -21.482 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.862 -16.855 -22.636 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.914 -15.472 -23.232 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.050 -13.467 -21.204 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.879 -13.118 -22.941 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.463 -12.938 -22.148 1.00 0.13 H new ATOM 473 N ASP A 32 -13.424 -17.155 -25.040 1.00 0.12 N ATOM 474 CA ASP A 32 -13.729 -18.535 -25.344 1.00 0.15 C ATOM 475 C ASP A 32 -12.973 -19.456 -24.392 1.00 0.15 C ATOM 476 O ASP A 32 -13.531 -20.419 -23.868 1.00 0.19 O ATOM 477 CB ASP A 32 -13.364 -18.832 -26.802 1.00 0.21 C ATOM 478 CG ASP A 32 -13.491 -20.300 -27.162 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.541 -20.853 -27.757 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.548 -20.898 -26.878 1.00 0.60 O ATOM 0 H ASP A 32 -12.718 -16.740 -25.648 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.796 -18.712 -25.212 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -14.009 -18.247 -27.458 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.340 -18.506 -26.987 1.00 0.21 H new ATOM 485 N SER A 33 -11.714 -19.126 -24.131 1.00 0.14 N ATOM 486 CA SER A 33 -10.879 -19.937 -23.263 1.00 0.18 C ATOM 487 C SER A 33 -9.650 -19.157 -22.819 1.00 0.13 C ATOM 488 O SER A 33 -9.354 -18.092 -23.357 1.00 0.14 O ATOM 489 CB SER A 33 -10.454 -21.225 -23.978 1.00 0.27 C ATOM 490 OG SER A 33 -9.937 -20.947 -25.269 1.00 1.07 O ATOM 0 H SER A 33 -11.251 -18.300 -24.510 1.00 0.14 H new ATOM 0 HA SER A 33 -11.461 -20.201 -22.380 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.700 -21.742 -23.385 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.308 -21.897 -24.062 1.00 0.27 H new ATOM 0 HG SER A 33 -9.672 -21.785 -25.703 1.00 1.07 H new ATOM 496 N ILE A 34 -8.956 -19.683 -21.822 1.00 0.16 N ATOM 497 CA ILE A 34 -7.709 -19.099 -21.350 1.00 0.14 C ATOM 498 C ILE A 34 -6.714 -20.206 -21.008 1.00 0.16 C ATOM 499 O ILE A 34 -7.049 -21.181 -20.329 1.00 0.19 O ATOM 500 CB ILE A 34 -7.937 -18.150 -20.140 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.304 -16.744 -20.639 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.706 -18.088 -19.244 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.641 -15.757 -19.535 1.00 0.17 C ATOM 0 H ILE A 34 -9.239 -20.524 -21.318 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.293 -18.489 -22.152 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.761 -18.548 -19.547 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.472 -16.349 -21.222 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.157 -16.822 -21.314 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.898 -17.416 -18.408 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.482 -19.085 -18.865 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.856 -17.719 -19.818 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.888 -14.790 -19.974 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.494 -16.126 -18.965 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.783 -15.646 -18.872 1.00 0.17 H new ATOM 515 N LYS A 35 -5.501 -20.059 -21.523 1.00 0.17 N ATOM 516 CA LYS A 35 -4.445 -21.042 -21.348 1.00 0.21 C ATOM 517 C LYS A 35 -3.201 -20.387 -20.746 1.00 0.20 C ATOM 518 O LYS A 35 -2.328 -19.911 -21.474 1.00 0.22 O ATOM 519 CB LYS A 35 -4.089 -21.679 -22.694 1.00 0.24 C ATOM 520 CG LYS A 35 -5.224 -22.490 -23.297 1.00 0.34 C ATOM 521 CD LYS A 35 -5.507 -23.742 -22.483 1.00 0.47 C ATOM 522 CE LYS A 35 -6.801 -24.398 -22.923 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.013 -25.715 -22.266 1.00 1.56 N ATOM 0 H LYS A 35 -5.222 -19.249 -22.077 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.803 -21.815 -20.668 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.801 -20.895 -23.394 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.220 -22.324 -22.564 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.124 -21.877 -23.348 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -4.970 -22.769 -24.320 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -4.682 -24.446 -22.594 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.567 -23.486 -21.425 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -7.638 -23.739 -22.691 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -6.790 -24.531 -24.005 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -7.909 -26.127 -22.596 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -6.228 -26.354 -22.507 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.050 -25.586 -21.235 1.00 1.56 H new ATOM 537 N GLY A 36 -3.132 -20.334 -19.422 1.00 0.25 N ATOM 538 CA GLY A 36 -1.984 -19.735 -18.763 1.00 0.28 C ATOM 539 C GLY A 36 -1.945 -18.228 -18.937 1.00 0.24 C ATOM 540 O GLY A 36 -2.792 -17.515 -18.402 1.00 0.29 O ATOM 0 H GLY A 36 -3.849 -20.694 -18.792 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.011 -19.976 -17.700 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.069 -20.169 -19.165 1.00 0.28 H new ATOM 544 N GLN A 37 -0.974 -17.740 -19.707 1.00 0.21 N ATOM 545 CA GLN A 37 -0.829 -16.304 -19.932 1.00 0.20 C ATOM 546 C GLN A 37 -1.580 -15.873 -21.180 1.00 0.17 C ATOM 547 O GLN A 37 -1.487 -14.724 -21.593 1.00 0.21 O ATOM 548 CB GLN A 37 0.640 -15.903 -20.098 1.00 0.24 C ATOM 549 CG GLN A 37 1.556 -16.385 -18.991 1.00 0.36 C ATOM 550 CD GLN A 37 2.937 -15.757 -19.072 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.193 -14.716 -18.469 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.830 -16.377 -19.827 1.00 1.94 N ATOM 0 H GLN A 37 -0.279 -18.315 -20.183 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.243 -15.809 -19.054 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.004 -16.293 -21.048 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.702 -14.816 -20.155 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.109 -16.151 -18.025 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.649 -17.470 -19.045 1.00 0.36 H new ATOM 0 HE21 GLN A 37 3.578 -17.239 -20.311 1.00 1.94 H new ATOM 0 HE22 GLN A 37 4.770 -15.993 -19.925 1.00 1.94 H new ATOM 561 N PHE A 38 -2.322 -16.782 -21.788 1.00 0.13 N ATOM 562 CA PHE A 38 -2.954 -16.478 -23.058 1.00 0.11 C ATOM 563 C PHE A 38 -4.437 -16.745 -23.015 1.00 0.10 C ATOM 564 O PHE A 38 -4.889 -17.716 -22.423 1.00 0.12 O ATOM 565 CB PHE A 38 -2.305 -17.277 -24.186 1.00 0.13 C ATOM 566 CG PHE A 38 -0.853 -16.951 -24.349 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.455 -15.917 -25.178 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.110 -17.658 -23.649 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.879 -15.590 -25.299 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.445 -17.340 -23.771 1.00 0.29 C ATOM 571 CZ PHE A 38 1.829 -16.304 -24.595 1.00 0.32 C ATOM 0 H PHE A 38 -2.499 -17.721 -21.430 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.810 -15.415 -23.251 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.416 -18.342 -23.984 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.828 -17.074 -25.120 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.195 -15.362 -25.735 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.189 -18.468 -23.000 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.181 -14.777 -25.943 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.188 -17.900 -23.223 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.874 -16.050 -24.690 1.00 0.32 H new ATOM 581 N GLY A 39 -5.183 -15.869 -23.644 1.00 0.09 N ATOM 582 CA GLY A 39 -6.609 -16.031 -23.709 1.00 0.09 C ATOM 583 C GLY A 39 -7.087 -16.068 -25.134 1.00 0.09 C ATOM 584 O GLY A 39 -6.397 -15.592 -26.033 1.00 0.11 O ATOM 0 H GLY A 39 -4.824 -15.039 -24.116 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.897 -16.952 -23.202 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.095 -15.211 -23.181 1.00 0.09 H new ATOM 588 N PHE A 40 -8.248 -16.642 -25.346 1.00 0.09 N ATOM 589 CA PHE A 40 -8.819 -16.729 -26.671 1.00 0.10 C ATOM 590 C PHE A 40 -10.251 -16.243 -26.631 1.00 0.10 C ATOM 591 O PHE A 40 -10.974 -16.508 -25.674 1.00 0.18 O ATOM 592 CB PHE A 40 -8.761 -18.170 -27.198 1.00 0.12 C ATOM 593 CG PHE A 40 -7.366 -18.729 -27.294 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.748 -19.289 -26.185 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.675 -18.691 -28.492 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.468 -19.798 -26.267 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.391 -19.202 -28.581 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.786 -19.755 -27.468 1.00 0.17 C ATOM 0 H PHE A 40 -8.820 -17.059 -24.612 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.240 -16.101 -27.348 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.354 -18.810 -26.544 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.224 -18.205 -28.184 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.277 -19.327 -25.244 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.141 -18.259 -29.365 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.000 -20.229 -25.394 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.861 -19.168 -29.522 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.784 -20.152 -27.537 1.00 0.17 H new ATOM 608 N LEU A 41 -10.649 -15.518 -27.656 1.00 0.10 N ATOM 609 CA LEU A 41 -11.978 -14.941 -27.709 1.00 0.09 C ATOM 610 C LEU A 41 -12.750 -15.538 -28.867 1.00 0.09 C ATOM 611 O LEU A 41 -12.154 -15.978 -29.851 1.00 0.13 O ATOM 612 CB LEU A 41 -11.884 -13.424 -27.872 1.00 0.09 C ATOM 613 CG LEU A 41 -10.812 -12.760 -27.016 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.459 -11.396 -27.566 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.285 -12.644 -25.579 1.00 0.53 C ATOM 0 H LEU A 41 -10.068 -15.313 -28.469 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.500 -15.164 -26.779 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.687 -13.196 -28.919 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.851 -12.985 -27.626 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.917 -13.381 -27.041 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.692 -10.939 -26.941 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.083 -11.500 -28.584 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.347 -10.764 -27.571 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.510 -12.168 -24.978 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.193 -12.042 -25.542 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.492 -13.638 -25.183 1.00 0.53 H new ATOM 627 N ASN A 42 -14.068 -15.559 -28.755 1.00 0.11 N ATOM 628 CA ASN A 42 -14.896 -16.089 -29.826 1.00 0.15 C ATOM 629 C ASN A 42 -14.974 -15.079 -30.968 1.00 0.14 C ATOM 630 O ASN A 42 -15.973 -14.383 -31.146 1.00 0.17 O ATOM 631 CB ASN A 42 -16.293 -16.455 -29.306 1.00 0.22 C ATOM 632 CG ASN A 42 -17.115 -17.239 -30.318 1.00 0.79 C ATOM 633 OD1 ASN A 42 -17.033 -18.465 -30.387 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.909 -16.535 -31.104 1.00 1.37 N ATOM 0 H ASN A 42 -14.583 -15.219 -27.943 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.441 -17.004 -30.206 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.193 -17.043 -28.393 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.827 -15.543 -29.041 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.485 -17.007 -31.802 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.947 -15.520 -31.013 1.00 1.37 H new ATOM 641 N PHE A 43 -13.873 -14.978 -31.698 1.00 0.12 N ATOM 642 CA PHE A 43 -13.764 -14.076 -32.828 1.00 0.13 C ATOM 643 C PHE A 43 -12.911 -14.724 -33.907 1.00 0.16 C ATOM 644 O PHE A 43 -11.703 -14.895 -33.738 1.00 0.18 O ATOM 645 CB PHE A 43 -13.154 -12.739 -32.391 1.00 0.12 C ATOM 646 CG PHE A 43 -13.270 -11.651 -33.426 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.385 -10.830 -33.465 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.263 -11.449 -34.350 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.489 -9.827 -34.408 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.362 -10.448 -35.298 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.473 -9.636 -35.327 1.00 0.28 C ATOM 0 H PHE A 43 -13.029 -15.522 -31.520 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.759 -13.878 -33.227 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.643 -12.409 -31.474 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.101 -12.891 -32.153 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.181 -10.976 -32.750 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.388 -12.081 -34.331 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.363 -9.192 -34.428 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.568 -10.303 -36.016 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.551 -8.852 -36.065 1.00 0.28 H new ATOM 661 N GLU A 44 -13.552 -15.108 -34.993 1.00 0.23 N ATOM 662 CA GLU A 44 -12.872 -15.773 -36.092 1.00 0.30 C ATOM 663 C GLU A 44 -12.419 -14.758 -37.134 1.00 0.29 C ATOM 664 O GLU A 44 -13.234 -14.083 -37.765 1.00 0.39 O ATOM 665 CB GLU A 44 -13.799 -16.812 -36.718 1.00 0.44 C ATOM 666 CG GLU A 44 -14.154 -17.952 -35.775 1.00 0.60 C ATOM 667 CD GLU A 44 -15.164 -18.906 -36.374 1.00 1.14 C ATOM 668 OE1 GLU A 44 -16.090 -19.328 -35.653 1.00 1.81 O ATOM 669 OE2 GLU A 44 -15.047 -19.220 -37.577 1.00 1.57 O ATOM 0 H GLU A 44 -14.552 -14.970 -35.140 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.986 -16.278 -35.707 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.716 -16.321 -37.043 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.324 -17.222 -37.609 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.249 -18.501 -35.517 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.553 -17.541 -34.847 1.00 0.60 H new ATOM 676 N VAL A 45 -11.109 -14.637 -37.289 1.00 0.30 N ATOM 677 CA VAL A 45 -10.537 -13.702 -38.250 1.00 0.38 C ATOM 678 C VAL A 45 -10.442 -14.322 -39.646 1.00 0.45 C ATOM 679 O VAL A 45 -10.848 -13.711 -40.633 1.00 0.58 O ATOM 680 CB VAL A 45 -9.149 -13.198 -37.791 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.297 -12.261 -36.604 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.226 -14.353 -37.429 1.00 0.71 C ATOM 0 H VAL A 45 -10.421 -15.174 -36.762 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.210 -12.847 -38.302 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.700 -12.658 -38.625 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.313 -11.913 -36.290 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -9.910 -11.406 -36.889 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.774 -12.791 -35.780 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.260 -13.961 -37.111 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.668 -14.931 -36.617 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.088 -14.995 -38.299 1.00 0.71 H new ATOM 692 N GLU A 46 -9.924 -15.536 -39.714 1.00 0.51 N ATOM 693 CA GLU A 46 -9.829 -16.269 -40.967 1.00 0.61 C ATOM 694 C GLU A 46 -9.743 -17.757 -40.678 1.00 0.62 C ATOM 695 O GLU A 46 -9.175 -18.143 -39.667 1.00 0.97 O ATOM 696 CB GLU A 46 -8.604 -15.836 -41.778 1.00 0.75 C ATOM 697 CG GLU A 46 -7.291 -15.913 -41.012 1.00 0.88 C ATOM 698 CD GLU A 46 -6.081 -15.912 -41.928 1.00 1.35 C ATOM 699 OE1 GLU A 46 -5.103 -16.624 -41.620 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.114 -15.233 -42.975 1.00 1.57 O ATOM 0 H GLU A 46 -9.558 -16.041 -38.907 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.720 -16.051 -41.555 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -8.531 -16.462 -42.667 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.752 -14.812 -42.121 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.224 -15.068 -40.327 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.281 -16.818 -40.404 1.00 0.88 H new ATOM 707 N ASP A 47 -10.344 -18.578 -41.535 1.00 0.85 N ATOM 708 CA ASP A 47 -10.277 -20.043 -41.404 1.00 0.84 C ATOM 709 C ASP A 47 -10.857 -20.528 -40.069 1.00 0.83 C ATOM 710 O ASP A 47 -10.766 -21.703 -39.706 1.00 1.18 O ATOM 711 CB ASP A 47 -8.826 -20.524 -41.580 1.00 0.90 C ATOM 712 CG ASP A 47 -8.690 -22.033 -41.527 1.00 1.18 C ATOM 713 OD1 ASP A 47 -9.203 -22.712 -42.439 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.077 -22.549 -40.566 1.00 1.55 O ATOM 0 H ASP A 47 -10.888 -18.257 -42.336 1.00 0.85 H new ATOM 0 HA ASP A 47 -10.892 -20.476 -42.193 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -8.443 -20.164 -42.535 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.206 -20.081 -40.801 1.00 0.90 H new ATOM 719 N GLY A 48 -11.508 -19.626 -39.367 1.00 0.65 N ATOM 720 CA GLY A 48 -12.033 -19.949 -38.061 1.00 0.67 C ATOM 721 C GLY A 48 -10.971 -19.869 -36.984 1.00 0.58 C ATOM 722 O GLY A 48 -11.021 -20.605 -36.001 1.00 0.66 O ATOM 0 H GLY A 48 -11.685 -18.670 -39.677 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.847 -19.265 -37.819 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -12.455 -20.954 -38.079 1.00 0.67 H new ATOM 726 N LYS A 49 -9.998 -18.986 -37.177 1.00 0.48 N ATOM 727 CA LYS A 49 -8.924 -18.807 -36.211 1.00 0.44 C ATOM 728 C LYS A 49 -9.434 -18.078 -34.979 1.00 0.36 C ATOM 729 O LYS A 49 -9.801 -16.905 -35.059 1.00 0.35 O ATOM 730 CB LYS A 49 -7.762 -18.029 -36.820 1.00 0.50 C ATOM 731 CG LYS A 49 -7.004 -18.802 -37.883 1.00 0.71 C ATOM 732 CD LYS A 49 -5.732 -18.082 -38.291 1.00 0.93 C ATOM 733 CE LYS A 49 -4.498 -18.865 -37.877 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.435 -20.197 -38.532 1.00 2.50 N ATOM 0 H LYS A 49 -9.932 -18.382 -37.996 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.568 -19.796 -35.923 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.143 -17.106 -37.256 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.070 -17.745 -36.027 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -6.757 -19.795 -37.506 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -7.641 -18.942 -38.757 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.726 -17.934 -39.371 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.708 -17.093 -37.833 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -3.605 -18.294 -38.131 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -4.497 -18.993 -36.795 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.441 -20.483 -38.642 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.934 -20.896 -37.946 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.886 -20.145 -39.468 1.00 2.50 H new ATOM 748 N LYS A 50 -9.472 -18.784 -33.856 1.00 0.37 N ATOM 749 CA LYS A 50 -9.916 -18.201 -32.599 1.00 0.32 C ATOM 750 C LYS A 50 -8.902 -17.161 -32.133 1.00 0.27 C ATOM 751 O LYS A 50 -7.726 -17.472 -31.941 1.00 0.36 O ATOM 752 CB LYS A 50 -10.080 -19.293 -31.535 1.00 0.41 C ATOM 753 CG LYS A 50 -11.111 -18.972 -30.458 1.00 0.47 C ATOM 754 CD LYS A 50 -12.532 -18.959 -31.018 1.00 0.47 C ATOM 755 CE LYS A 50 -13.002 -20.342 -31.459 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.371 -21.204 -30.306 1.00 1.32 N ATOM 0 H LYS A 50 -9.199 -19.765 -33.791 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.882 -17.719 -32.751 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -10.364 -20.223 -32.027 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -9.116 -19.466 -31.058 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -11.042 -19.709 -29.658 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.885 -18.001 -30.017 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -13.214 -18.572 -30.260 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.578 -18.276 -31.866 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -13.861 -20.238 -32.122 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.213 -20.826 -32.034 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -13.289 -22.204 -30.580 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -12.732 -21.010 -29.509 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.351 -21.002 -30.021 1.00 1.32 H new ATOM 770 N LEU A 51 -9.362 -15.930 -31.979 1.00 0.19 N ATOM 771 CA LEU A 51 -8.496 -14.818 -31.601 1.00 0.13 C ATOM 772 C LEU A 51 -7.797 -15.064 -30.275 1.00 0.12 C ATOM 773 O LEU A 51 -8.441 -15.364 -29.274 1.00 0.16 O ATOM 774 CB LEU A 51 -9.296 -13.520 -31.507 1.00 0.13 C ATOM 775 CG LEU A 51 -8.976 -12.484 -32.584 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.700 -11.181 -32.308 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.481 -12.237 -32.661 1.00 0.16 C ATOM 0 H LEU A 51 -10.340 -15.671 -32.111 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.738 -14.732 -32.380 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.358 -13.761 -31.560 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.119 -13.072 -30.529 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.318 -12.878 -33.541 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.458 -10.458 -33.087 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.776 -11.357 -32.298 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.388 -10.789 -31.340 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.274 -11.497 -33.434 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.123 -11.868 -31.700 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.970 -13.169 -32.905 1.00 0.16 H new ATOM 789 N PHE A 52 -6.481 -14.913 -30.265 1.00 0.12 N ATOM 790 CA PHE A 52 -5.718 -15.073 -29.041 1.00 0.11 C ATOM 791 C PHE A 52 -5.256 -13.716 -28.516 1.00 0.10 C ATOM 792 O PHE A 52 -5.240 -12.722 -29.252 1.00 0.12 O ATOM 793 CB PHE A 52 -4.504 -15.988 -29.262 1.00 0.14 C ATOM 794 CG PHE A 52 -3.339 -15.326 -29.946 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.272 -15.254 -31.327 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.307 -14.780 -29.199 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.198 -14.647 -31.950 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.231 -14.171 -29.813 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.176 -14.105 -31.192 1.00 0.39 C ATOM 0 H PHE A 52 -5.924 -14.681 -31.087 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.370 -15.537 -28.301 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.173 -16.370 -28.296 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.816 -16.848 -29.855 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.067 -15.676 -31.923 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.345 -14.832 -28.121 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.157 -14.596 -33.028 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.435 -13.748 -29.218 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.336 -13.631 -31.677 1.00 0.39 H new ATOM 809 N PHE A 53 -4.890 -13.681 -27.245 1.00 0.10 N ATOM 810 CA PHE A 53 -4.319 -12.491 -26.638 1.00 0.10 C ATOM 811 C PHE A 53 -3.414 -12.893 -25.479 1.00 0.11 C ATOM 812 O PHE A 53 -3.559 -13.987 -24.927 1.00 0.13 O ATOM 813 CB PHE A 53 -5.435 -11.540 -26.170 1.00 0.10 C ATOM 814 CG PHE A 53 -6.240 -12.021 -24.993 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.744 -11.912 -23.705 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.499 -12.567 -25.175 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.484 -12.340 -22.623 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.244 -12.996 -24.095 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.736 -12.882 -22.817 1.00 0.14 C ATOM 0 H PHE A 53 -4.980 -14.473 -26.608 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.719 -11.960 -27.377 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.987 -10.579 -25.915 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.113 -11.364 -27.005 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.764 -11.486 -23.546 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.903 -12.658 -26.173 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.083 -12.250 -21.624 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.225 -13.421 -24.250 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.318 -13.217 -21.971 1.00 0.14 H new ATOM 829 N HIS A 54 -2.477 -12.031 -25.119 1.00 0.13 N ATOM 830 CA HIS A 54 -1.594 -12.295 -23.996 1.00 0.15 C ATOM 831 C HIS A 54 -2.109 -11.536 -22.769 1.00 0.15 C ATOM 832 O HIS A 54 -2.749 -10.494 -22.899 1.00 0.16 O ATOM 833 CB HIS A 54 -0.153 -11.888 -24.347 1.00 0.18 C ATOM 834 CG HIS A 54 0.866 -12.280 -23.317 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.873 -11.450 -22.872 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.028 -13.449 -22.649 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.596 -12.127 -21.969 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.122 -13.344 -21.797 1.00 0.27 N ATOM 0 H HIS A 54 -2.309 -11.142 -25.589 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.586 -13.361 -23.769 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.118 -12.341 -25.301 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.116 -10.807 -24.485 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.405 -14.324 -22.761 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.455 -11.727 -21.450 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.483 -14.062 -21.168 1.00 0.27 H new ATOM 846 N MET A 55 -1.851 -12.073 -21.583 1.00 0.16 N ATOM 847 CA MET A 55 -2.299 -11.463 -20.332 1.00 0.17 C ATOM 848 C MET A 55 -1.695 -10.075 -20.120 1.00 0.17 C ATOM 849 O MET A 55 -2.098 -9.346 -19.214 1.00 0.27 O ATOM 850 CB MET A 55 -1.939 -12.372 -19.156 1.00 0.24 C ATOM 851 CG MET A 55 -2.893 -13.539 -18.962 1.00 0.76 C ATOM 852 SD MET A 55 -4.552 -13.020 -18.487 1.00 1.86 S ATOM 853 CE MET A 55 -5.346 -14.607 -18.236 1.00 2.43 C ATOM 0 H MET A 55 -1.328 -12.940 -21.459 1.00 0.16 H new ATOM 0 HA MET A 55 -3.381 -11.344 -20.392 1.00 0.17 H new ATOM 0 HB2 MET A 55 -0.932 -12.761 -19.306 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.919 -11.777 -18.243 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.949 -14.113 -19.887 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.493 -14.205 -18.197 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.251 -14.471 -17.644 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.605 -15.041 -19.202 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.665 -15.275 -17.709 1.00 2.43 H new ATOM 863 N SER A 56 -0.737 -9.713 -20.958 1.00 0.16 N ATOM 864 CA SER A 56 -0.132 -8.391 -20.906 1.00 0.19 C ATOM 865 C SER A 56 -1.122 -7.337 -21.406 1.00 0.17 C ATOM 866 O SER A 56 -1.050 -6.169 -21.019 1.00 0.24 O ATOM 867 CB SER A 56 1.150 -8.379 -21.748 1.00 0.26 C ATOM 868 OG SER A 56 1.774 -7.108 -21.735 1.00 0.91 O ATOM 0 H SER A 56 -0.360 -10.319 -21.686 1.00 0.16 H new ATOM 0 HA SER A 56 0.125 -8.151 -19.874 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.843 -9.128 -21.366 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.913 -8.658 -22.775 1.00 0.26 H new ATOM 0 HG SER A 56 2.588 -7.138 -22.280 1.00 0.91 H new ATOM 874 N GLU A 57 -2.054 -7.757 -22.256 1.00 0.14 N ATOM 875 CA GLU A 57 -3.062 -6.858 -22.794 1.00 0.17 C ATOM 876 C GLU A 57 -4.326 -6.891 -21.934 1.00 0.16 C ATOM 877 O GLU A 57 -5.283 -6.168 -22.196 1.00 0.20 O ATOM 878 CB GLU A 57 -3.408 -7.249 -24.238 1.00 0.22 C ATOM 879 CG GLU A 57 -2.258 -7.100 -25.235 1.00 0.32 C ATOM 880 CD GLU A 57 -1.172 -8.149 -25.072 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.384 -9.298 -25.514 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.099 -7.824 -24.517 1.00 1.20 O ATOM 0 H GLU A 57 -2.130 -8.719 -22.586 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.656 -5.846 -22.785 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.747 -8.285 -24.248 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.244 -6.637 -24.575 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.657 -7.156 -26.248 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.816 -6.110 -25.121 1.00 0.32 H new ATOM 889 N VAL A 58 -4.310 -7.734 -20.906 1.00 0.17 N ATOM 890 CA VAL A 58 -5.478 -7.963 -20.061 1.00 0.17 C ATOM 891 C VAL A 58 -5.768 -6.782 -19.124 1.00 0.20 C ATOM 892 O VAL A 58 -4.865 -6.035 -18.731 1.00 0.27 O ATOM 893 CB VAL A 58 -5.318 -9.289 -19.272 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.598 -9.127 -17.786 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.226 -10.349 -19.870 1.00 0.22 C ATOM 0 H VAL A 58 -3.490 -8.276 -20.636 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.345 -8.050 -20.716 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.277 -9.599 -19.360 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.471 -10.087 -17.285 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -4.904 -8.401 -17.362 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.620 -8.777 -17.644 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -6.113 -11.280 -19.315 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.262 -10.015 -19.812 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.956 -10.513 -20.913 1.00 0.22 H new ATOM 905 N GLN A 59 -7.049 -6.633 -18.789 1.00 0.20 N ATOM 906 CA GLN A 59 -7.552 -5.514 -18.004 1.00 0.25 C ATOM 907 C GLN A 59 -7.057 -5.544 -16.560 1.00 0.34 C ATOM 908 O GLN A 59 -7.595 -6.268 -15.722 1.00 0.57 O ATOM 909 CB GLN A 59 -9.086 -5.540 -18.043 1.00 0.31 C ATOM 910 CG GLN A 59 -9.757 -4.329 -17.417 1.00 0.41 C ATOM 911 CD GLN A 59 -10.262 -4.595 -16.013 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.626 -5.717 -15.676 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.285 -3.564 -15.185 1.00 1.25 N ATOM 0 H GLN A 59 -7.774 -7.297 -19.061 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.173 -4.590 -18.442 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.408 -5.621 -19.081 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.434 -6.437 -17.530 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.050 -3.500 -17.392 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.592 -4.017 -18.045 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -9.974 -2.647 -15.504 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.614 -3.686 -14.227 1.00 1.25 H new ATOM 922 N GLY A 60 -6.021 -4.761 -16.288 1.00 0.40 N ATOM 923 CA GLY A 60 -5.555 -4.572 -14.925 1.00 0.49 C ATOM 924 C GLY A 60 -4.885 -5.803 -14.342 1.00 0.44 C ATOM 925 O GLY A 60 -3.656 -5.910 -14.337 1.00 0.58 O ATOM 0 H GLY A 60 -5.490 -4.249 -16.993 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.852 -3.739 -14.901 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.400 -4.294 -14.295 1.00 0.49 H new ATOM 929 N ASN A 61 -5.696 -6.732 -13.854 1.00 0.47 N ATOM 930 CA ASN A 61 -5.187 -7.933 -13.214 1.00 0.52 C ATOM 931 C ASN A 61 -5.546 -9.153 -14.034 1.00 0.52 C ATOM 932 O ASN A 61 -6.577 -9.184 -14.702 1.00 0.49 O ATOM 933 CB ASN A 61 -5.747 -8.105 -11.799 1.00 0.63 C ATOM 934 CG ASN A 61 -5.400 -6.959 -10.871 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.322 -6.929 -10.279 1.00 2.20 O ATOM 936 ND2 ASN A 61 -6.324 -6.021 -10.713 1.00 1.71 N ATOM 0 H ASN A 61 -6.714 -6.674 -13.891 1.00 0.47 H new ATOM 0 HA ASN A 61 -4.104 -7.829 -13.148 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.831 -8.202 -11.855 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -5.365 -9.034 -11.376 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -6.153 -5.238 -10.082 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -7.205 -6.082 -11.223 1.00 1.71 H new ATOM 943 N THR A 62 -4.703 -10.163 -13.959 1.00 0.62 N ATOM 944 CA THR A 62 -4.922 -11.400 -14.686 1.00 0.71 C ATOM 945 C THR A 62 -6.079 -12.182 -14.078 1.00 0.70 C ATOM 946 O THR A 62 -6.639 -13.080 -14.699 1.00 0.82 O ATOM 947 CB THR A 62 -3.641 -12.251 -14.676 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.229 -12.499 -13.323 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.528 -11.523 -15.412 1.00 0.95 C ATOM 0 H THR A 62 -3.852 -10.152 -13.397 1.00 0.62 H new ATOM 0 HA THR A 62 -5.177 -11.156 -15.717 1.00 0.71 H new ATOM 0 HB THR A 62 -3.846 -13.199 -15.174 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.414 -13.043 -13.324 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.625 -12.133 -15.400 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.831 -11.343 -16.444 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.329 -10.570 -14.921 1.00 0.95 H new ATOM 957 N VAL A 63 -6.439 -11.810 -12.856 1.00 0.63 N ATOM 958 CA VAL A 63 -7.530 -12.451 -12.141 1.00 0.71 C ATOM 959 C VAL A 63 -8.813 -11.625 -12.299 1.00 0.64 C ATOM 960 O VAL A 63 -9.813 -11.868 -11.626 1.00 0.74 O ATOM 961 CB VAL A 63 -7.189 -12.614 -10.637 1.00 0.84 C ATOM 962 CG1 VAL A 63 -8.146 -13.590 -9.959 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.741 -13.055 -10.455 1.00 1.31 C ATOM 0 H VAL A 63 -5.984 -11.059 -12.337 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.682 -13.443 -12.566 1.00 0.71 H new ATOM 0 HB VAL A 63 -7.310 -11.642 -10.158 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.883 -13.685 -8.905 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -9.167 -13.218 -10.046 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.073 -14.565 -10.440 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.524 -13.163 -9.392 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.586 -14.011 -10.956 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -5.076 -12.307 -10.887 1.00 1.31 H new ATOM 973 N ALA A 64 -8.777 -10.643 -13.193 1.00 0.55 N ATOM 974 CA ALA A 64 -9.943 -9.809 -13.444 1.00 0.53 C ATOM 975 C ALA A 64 -10.627 -10.208 -14.745 1.00 0.44 C ATOM 976 O ALA A 64 -11.831 -10.004 -14.921 1.00 0.56 O ATOM 977 CB ALA A 64 -9.553 -8.342 -13.489 1.00 0.57 C ATOM 0 H ALA A 64 -7.957 -10.407 -13.752 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.645 -9.960 -12.624 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.439 -7.736 -13.678 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.112 -8.053 -12.535 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.828 -8.183 -14.287 1.00 0.57 H new ATOM 983 N LEU A 65 -9.848 -10.762 -15.663 1.00 0.35 N ATOM 984 CA LEU A 65 -10.374 -11.212 -16.935 1.00 0.25 C ATOM 985 C LEU A 65 -10.526 -12.735 -16.902 1.00 0.22 C ATOM 986 O LEU A 65 -9.563 -13.453 -16.637 1.00 0.26 O ATOM 987 CB LEU A 65 -9.425 -10.770 -18.061 1.00 0.23 C ATOM 988 CG LEU A 65 -10.060 -10.569 -19.442 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.342 -11.907 -20.103 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.326 -9.755 -19.316 1.00 1.21 C ATOM 0 H LEU A 65 -8.846 -10.909 -15.546 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.353 -10.771 -17.121 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.951 -9.835 -17.762 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.633 -11.513 -18.153 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.358 -10.024 -20.074 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.792 -11.742 -21.082 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.409 -12.458 -20.221 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -11.027 -12.483 -19.481 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.770 -9.617 -20.302 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -12.032 -10.277 -18.670 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.091 -8.782 -18.885 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.731 -13.223 -17.172 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.031 -14.643 -17.016 1.00 0.21 C ATOM 1004 C HIS A 66 -12.577 -15.240 -18.309 1.00 0.15 C ATOM 1005 O HIS A 66 -13.156 -14.531 -19.131 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.063 -14.849 -15.905 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.645 -14.342 -14.556 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.864 -15.050 -13.670 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.925 -13.162 -13.946 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.705 -14.300 -12.572 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.331 -13.145 -12.689 1.00 0.91 N ATOM 0 H HIS A 66 -12.515 -12.659 -17.499 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.099 -15.146 -16.758 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.990 -14.353 -16.193 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.283 -15.914 -15.825 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.515 -12.363 -14.370 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.138 -14.602 -11.704 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.371 -12.394 -12.000 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.401 -16.558 -18.502 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.997 -17.269 -19.633 1.00 0.14 C ATOM 1021 C PRO A 67 -14.517 -17.324 -19.518 1.00 0.15 C ATOM 1022 O PRO A 67 -15.056 -17.843 -18.539 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.400 -18.676 -19.536 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.014 -18.827 -18.105 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.601 -17.456 -17.646 1.00 0.19 C ATOM 0 HA PRO A 67 -12.789 -16.780 -20.585 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.124 -19.435 -19.833 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.537 -18.786 -20.192 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.848 -19.203 -17.512 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.197 -19.540 -17.993 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.818 -17.303 -16.589 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.532 -17.292 -17.779 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.203 -16.791 -20.517 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.650 -16.717 -20.468 1.00 0.18 C ATOM 1035 C GLY A 68 -17.130 -15.321 -20.136 1.00 0.18 C ATOM 1036 O GLY A 68 -18.329 -15.047 -20.147 1.00 0.22 O ATOM 0 H GLY A 68 -14.783 -16.407 -21.364 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.062 -17.024 -21.429 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.025 -17.417 -19.722 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.186 -14.444 -19.829 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.490 -13.046 -19.561 1.00 0.20 C ATOM 1042 C ASP A 69 -16.467 -12.265 -20.867 1.00 0.13 C ATOM 1043 O ASP A 69 -15.770 -12.651 -21.811 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.460 -12.452 -18.601 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.084 -11.801 -17.382 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.122 -11.129 -17.522 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -15.517 -11.932 -16.272 1.00 1.09 O ATOM 0 H ASP A 69 -15.196 -14.678 -19.759 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.478 -12.982 -19.105 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.780 -13.239 -18.276 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -14.861 -11.713 -19.133 1.00 0.27 H new ATOM 1052 N THR A 70 -17.229 -11.186 -20.935 1.00 0.13 N ATOM 1053 CA THR A 70 -17.217 -10.335 -22.113 1.00 0.11 C ATOM 1054 C THR A 70 -16.018 -9.404 -22.041 1.00 0.10 C ATOM 1055 O THR A 70 -15.647 -8.946 -20.964 1.00 0.14 O ATOM 1056 CB THR A 70 -18.508 -9.505 -22.232 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.639 -10.346 -21.977 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.636 -8.887 -23.624 1.00 0.15 C ATOM 0 H THR A 70 -17.860 -10.880 -20.194 1.00 0.13 H new ATOM 0 HA THR A 70 -17.152 -10.974 -22.994 1.00 0.11 H new ATOM 0 HB THR A 70 -18.469 -8.698 -21.500 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.462 -9.819 -22.051 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.557 -8.306 -23.681 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.783 -8.235 -23.812 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.660 -9.679 -24.373 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.385 -9.157 -23.170 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.214 -8.306 -23.197 1.00 0.12 C ATOM 1068 C VAL A 71 -14.261 -7.364 -24.379 1.00 0.12 C ATOM 1069 O VAL A 71 -15.011 -7.572 -25.339 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.908 -9.126 -23.271 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.916 -10.236 -22.248 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.690 -9.683 -24.664 1.00 0.24 C ATOM 0 H VAL A 71 -15.661 -9.532 -24.078 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.221 -7.737 -22.267 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.079 -8.456 -23.044 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.987 -10.801 -22.317 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.008 -9.810 -21.249 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.759 -10.900 -22.438 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.763 -10.256 -24.686 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.524 -10.332 -24.931 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.626 -8.862 -25.378 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.469 -6.326 -24.289 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.235 -5.451 -25.403 1.00 0.14 C ATOM 1084 C GLU A 72 -11.773 -5.585 -25.787 1.00 0.14 C ATOM 1085 O GLU A 72 -10.917 -5.749 -24.920 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.601 -4.003 -25.052 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.477 -3.015 -25.289 1.00 0.33 C ATOM 1088 CD GLU A 72 -12.965 -1.596 -25.481 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.497 -0.703 -24.741 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -13.845 -1.367 -26.334 1.00 0.78 O ATOM 0 H GLU A 72 -12.969 -6.066 -23.439 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.866 -5.727 -26.247 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.467 -3.703 -25.643 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.898 -3.957 -24.004 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.790 -3.045 -24.443 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -11.912 -3.321 -26.170 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.498 -5.569 -27.071 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.149 -5.765 -27.555 1.00 0.08 C ATOM 1099 C PHE A 73 -9.961 -5.050 -28.872 1.00 0.07 C ATOM 1100 O PHE A 73 -10.882 -4.433 -29.391 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.837 -7.257 -27.710 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.802 -8.006 -28.585 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.500 -8.273 -29.907 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.005 -8.457 -28.074 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.381 -8.975 -30.701 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.887 -9.160 -28.863 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.577 -9.420 -30.178 1.00 0.10 C ATOM 0 H PHE A 73 -12.193 -5.422 -27.803 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.457 -5.347 -26.824 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.833 -7.365 -28.122 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.828 -7.718 -26.722 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.564 -7.928 -30.322 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.256 -8.255 -27.043 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.135 -9.177 -31.733 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.822 -9.507 -28.450 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.268 -9.971 -30.799 1.00 0.10 H new ATOM 1117 N SER A 74 -8.768 -5.133 -29.409 1.00 0.09 N ATOM 1118 CA SER A 74 -8.465 -4.491 -30.666 1.00 0.10 C ATOM 1119 C SER A 74 -7.865 -5.514 -31.606 1.00 0.12 C ATOM 1120 O SER A 74 -6.948 -6.245 -31.232 1.00 0.19 O ATOM 1121 CB SER A 74 -7.498 -3.322 -30.449 1.00 0.15 C ATOM 1122 OG SER A 74 -7.941 -2.482 -29.396 1.00 0.86 O ATOM 0 H SER A 74 -7.987 -5.641 -28.993 1.00 0.09 H new ATOM 0 HA SER A 74 -9.380 -4.091 -31.104 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.504 -3.706 -30.219 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.411 -2.743 -31.368 1.00 0.15 H new ATOM 0 HG SER A 74 -7.882 -2.965 -28.545 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.399 -5.579 -32.807 1.00 0.17 N ATOM 1129 CA VAL A 75 -7.971 -6.572 -33.770 1.00 0.19 C ATOM 1130 C VAL A 75 -6.806 -6.052 -34.611 1.00 0.20 C ATOM 1131 O VAL A 75 -6.981 -5.262 -35.543 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.162 -7.016 -34.657 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -9.853 -5.825 -35.307 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.727 -8.024 -35.711 1.00 0.36 C ATOM 0 H VAL A 75 -9.133 -4.954 -33.141 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.614 -7.448 -33.228 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.883 -7.504 -34.000 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.682 -6.176 -35.921 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.232 -5.157 -34.533 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.140 -5.288 -35.933 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.587 -8.313 -36.315 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -7.968 -7.575 -36.352 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.314 -8.906 -35.222 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.604 -6.466 -34.243 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.419 -6.109 -34.997 1.00 0.26 C ATOM 1146 C VAL A 76 -3.904 -7.323 -35.761 1.00 0.25 C ATOM 1147 O VAL A 76 -3.312 -8.242 -35.194 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.315 -5.503 -34.091 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -2.973 -6.423 -32.928 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.070 -5.170 -34.904 1.00 0.42 C ATOM 0 H VAL A 76 -5.426 -7.050 -33.426 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.694 -5.335 -35.713 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.708 -4.578 -33.670 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.196 -5.964 -32.317 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.863 -6.588 -32.320 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.615 -7.378 -33.313 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.310 -4.746 -34.248 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.684 -6.078 -35.367 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.324 -4.447 -35.679 1.00 0.42 H new ATOM 1160 N THR A 77 -4.196 -7.348 -37.049 1.00 0.34 N ATOM 1161 CA THR A 77 -3.820 -8.460 -37.897 1.00 0.38 C ATOM 1162 C THR A 77 -2.315 -8.489 -38.117 1.00 0.44 C ATOM 1163 O THR A 77 -1.710 -7.462 -38.439 1.00 0.56 O ATOM 1164 CB THR A 77 -4.526 -8.364 -39.262 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.901 -8.000 -39.071 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.446 -9.689 -40.010 1.00 0.62 C ATOM 0 H THR A 77 -4.697 -6.602 -37.532 1.00 0.34 H new ATOM 0 HA THR A 77 -4.126 -9.377 -37.393 1.00 0.38 H new ATOM 0 HB THR A 77 -4.023 -7.601 -39.857 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.347 -7.938 -39.941 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.952 -9.595 -40.971 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.401 -9.952 -40.174 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.928 -10.469 -39.421 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.706 -9.651 -37.922 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.306 -9.827 -38.254 1.00 0.57 C ATOM 1176 C ASN A 78 -0.163 -9.845 -39.762 1.00 0.66 C ATOM 1177 O ASN A 78 -0.507 -10.830 -40.403 1.00 0.70 O ATOM 1178 CB ASN A 78 0.250 -11.127 -37.662 1.00 0.64 C ATOM 1179 CG ASN A 78 0.602 -11.005 -36.191 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.044 -10.280 -35.437 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.645 -11.707 -35.772 1.00 1.54 N ATOM 0 H ASN A 78 -2.160 -10.480 -37.537 1.00 0.44 H new ATOM 0 HA ASN A 78 0.263 -9.001 -37.829 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.485 -11.922 -37.789 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.139 -11.423 -38.219 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.935 -11.656 -34.795 1.00 1.54 H new ATOM 0 HD22 ASN A 78 2.158 -12.298 -36.426 1.00 1.54 H new ATOM 1188 N GLN A 79 0.333 -8.757 -40.322 1.00 0.79 N ATOM 1189 CA GLN A 79 0.449 -8.626 -41.770 1.00 0.91 C ATOM 1190 C GLN A 79 1.395 -9.676 -42.351 1.00 0.94 C ATOM 1191 O GLN A 79 1.379 -9.944 -43.551 1.00 1.06 O ATOM 1192 CB GLN A 79 0.910 -7.212 -42.139 1.00 1.09 C ATOM 1193 CG GLN A 79 2.238 -6.803 -41.523 1.00 1.18 C ATOM 1194 CD GLN A 79 2.526 -5.326 -41.701 1.00 1.43 C ATOM 1195 OE1 GLN A 79 3.092 -4.906 -42.711 1.00 1.95 O ATOM 1196 NE2 GLN A 79 2.151 -4.523 -40.716 1.00 1.90 N ATOM 0 H GLN A 79 0.664 -7.947 -39.798 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.536 -8.797 -42.205 1.00 0.91 H new ATOM 0 HB2 GLN A 79 0.989 -7.141 -43.224 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.145 -6.501 -41.828 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.232 -7.044 -40.460 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.041 -7.384 -41.977 1.00 1.18 H new ATOM 0 HE21 GLN A 79 1.684 -4.907 -39.894 1.00 1.90 H new ATOM 0 HE22 GLN A 79 2.329 -3.521 -40.779 1.00 1.90 H new ATOM 1205 N ARG A 80 2.201 -10.279 -41.486 1.00 0.93 N ATOM 1206 CA ARG A 80 3.120 -11.326 -41.896 1.00 1.03 C ATOM 1207 C ARG A 80 2.469 -12.703 -41.781 1.00 1.02 C ATOM 1208 O ARG A 80 2.644 -13.550 -42.654 1.00 1.21 O ATOM 1209 CB ARG A 80 4.381 -11.267 -41.032 1.00 1.18 C ATOM 1210 CG ARG A 80 5.409 -12.362 -41.314 1.00 1.35 C ATOM 1211 CD ARG A 80 5.968 -12.291 -42.732 1.00 1.67 C ATOM 1212 NE ARG A 80 5.040 -12.823 -43.734 1.00 2.41 N ATOM 1213 CZ ARG A 80 5.358 -13.023 -45.010 1.00 3.02 C ATOM 1214 NH1 ARG A 80 6.584 -12.759 -45.445 1.00 3.01 N ATOM 1215 NH2 ARG A 80 4.443 -13.493 -45.852 1.00 3.99 N ATOM 0 H ARG A 80 2.234 -10.057 -40.491 1.00 0.93 H new ATOM 0 HA ARG A 80 3.386 -11.165 -42.941 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.857 -10.297 -41.176 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.088 -11.326 -39.984 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.228 -12.279 -40.600 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.948 -13.337 -41.158 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.202 -11.254 -42.974 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.904 -12.848 -42.777 1.00 1.67 H new ATOM 0 HE ARG A 80 4.093 -13.054 -43.435 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.288 -12.401 -44.800 1.00 3.01 H new ATOM 0 HH12 ARG A 80 6.822 -12.914 -46.425 1.00 3.01 H new ATOM 0 HH21 ARG A 80 3.501 -13.699 -45.519 1.00 3.99 H new ATOM 0 HH22 ARG A 80 4.683 -13.648 -46.831 1.00 3.99 H new ATOM 1229 N ASN A 81 1.716 -12.920 -40.712 1.00 0.91 N ATOM 1230 CA ASN A 81 1.168 -14.246 -40.425 1.00 1.01 C ATOM 1231 C ASN A 81 -0.243 -14.403 -40.974 1.00 0.87 C ATOM 1232 O ASN A 81 -0.653 -15.495 -41.352 1.00 1.04 O ATOM 1233 CB ASN A 81 1.139 -14.499 -38.918 1.00 1.16 C ATOM 1234 CG ASN A 81 2.501 -14.390 -38.264 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.911 -13.309 -37.839 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.206 -15.505 -38.172 1.00 2.21 N ATOM 0 H ASN A 81 1.469 -12.202 -40.030 1.00 0.91 H new ATOM 0 HA ASN A 81 1.818 -14.972 -40.913 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.461 -13.785 -38.450 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.733 -15.493 -38.732 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.128 -15.491 -37.736 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.828 -16.379 -38.537 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.981 -13.306 -41.009 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.364 -13.347 -41.443 1.00 0.69 C ATOM 1245 C GLY A 82 -3.330 -13.443 -40.277 1.00 0.52 C ATOM 1246 O GLY A 82 -4.487 -13.047 -40.382 1.00 0.58 O ATOM 0 H GLY A 82 -0.646 -12.380 -40.743 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.587 -12.452 -42.024 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.510 -14.201 -42.104 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.845 -13.952 -39.157 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.666 -14.105 -37.969 1.00 0.39 C ATOM 1252 C LYS A 83 -3.554 -12.868 -37.096 1.00 0.35 C ATOM 1253 O LYS A 83 -2.557 -12.158 -37.144 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.278 -15.369 -37.195 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.781 -15.617 -37.117 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.479 -17.018 -36.611 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.038 -17.414 -36.890 1.00 1.61 C ATOM 1258 NZ LYS A 83 0.201 -18.860 -36.643 1.00 2.42 N ATOM 0 H LYS A 83 -1.881 -14.268 -39.046 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.706 -14.216 -38.275 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -3.676 -15.298 -36.183 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.753 -16.230 -37.665 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.336 -15.480 -38.102 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.322 -14.882 -36.455 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -1.670 -17.067 -35.539 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.152 -17.731 -37.088 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.209 -17.178 -37.925 1.00 1.61 H new ATOM 0 HE3 LYS A 83 0.628 -16.824 -36.261 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 1.196 -19.087 -36.845 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.009 -19.082 -35.649 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.416 -19.424 -37.262 1.00 2.42 H new ATOM 1272 N SER A 84 -4.577 -12.613 -36.306 1.00 0.31 N ATOM 1273 CA SER A 84 -4.646 -11.388 -35.533 1.00 0.25 C ATOM 1274 C SER A 84 -4.425 -11.670 -34.049 1.00 0.24 C ATOM 1275 O SER A 84 -4.169 -12.810 -33.656 1.00 0.30 O ATOM 1276 CB SER A 84 -6.000 -10.719 -35.768 1.00 0.27 C ATOM 1277 OG SER A 84 -6.036 -9.413 -35.226 1.00 1.08 O ATOM 0 H SER A 84 -5.373 -13.238 -36.182 1.00 0.31 H new ATOM 0 HA SER A 84 -3.855 -10.713 -35.859 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.204 -10.675 -36.838 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.788 -11.323 -35.317 1.00 0.27 H new ATOM 0 HG SER A 84 -6.164 -8.763 -35.948 1.00 1.08 H new ATOM 1283 N SER A 85 -4.540 -10.627 -33.241 1.00 0.20 N ATOM 1284 CA SER A 85 -4.346 -10.728 -31.810 1.00 0.20 C ATOM 1285 C SER A 85 -5.109 -9.606 -31.117 1.00 0.18 C ATOM 1286 O SER A 85 -5.269 -8.521 -31.681 1.00 0.26 O ATOM 1287 CB SER A 85 -2.856 -10.670 -31.471 1.00 0.25 C ATOM 1288 OG SER A 85 -2.209 -9.638 -32.195 1.00 0.87 O ATOM 0 H SER A 85 -4.771 -9.687 -33.563 1.00 0.20 H new ATOM 0 HA SER A 85 -4.731 -11.685 -31.456 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.729 -10.503 -30.401 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.390 -11.628 -31.701 1.00 0.25 H new ATOM 0 HG SER A 85 -1.258 -9.620 -31.960 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.604 -9.883 -29.924 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.383 -8.924 -29.179 1.00 0.12 C ATOM 1296 C ALA A 86 -5.488 -8.024 -28.343 1.00 0.13 C ATOM 1297 O ALA A 86 -4.698 -8.498 -27.527 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.380 -9.644 -28.292 1.00 0.13 C ATOM 0 H ALA A 86 -5.475 -10.777 -29.450 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.923 -8.297 -29.888 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.964 -8.913 -27.733 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.047 -10.246 -28.909 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.847 -10.291 -27.596 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.606 -6.730 -28.564 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.863 -5.748 -27.793 1.00 0.17 C ATOM 1306 C CYS A 87 -5.832 -4.866 -27.030 1.00 0.17 C ATOM 1307 O CYS A 87 -6.955 -4.659 -27.481 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.006 -4.896 -28.723 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.610 -5.781 -29.453 1.00 0.68 S ATOM 0 H CYS A 87 -6.215 -6.329 -29.278 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.211 -6.263 -27.087 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.634 -4.506 -29.524 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.628 -4.038 -28.167 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.726 -6.032 -28.533 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.398 -4.353 -25.885 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.254 -3.539 -25.024 1.00 0.20 C ATOM 1317 C ASN A 88 -7.488 -4.338 -24.618 1.00 0.18 C ATOM 1318 O ASN A 88 -8.611 -3.991 -24.973 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.678 -2.228 -25.714 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.515 -1.306 -26.039 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.401 -1.748 -26.341 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.769 -0.011 -25.970 1.00 1.60 N ATOM 0 H ASN A 88 -4.452 -4.486 -25.528 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.680 -3.274 -24.136 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.209 -2.468 -26.635 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.381 -1.699 -25.070 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -5.032 0.665 -26.170 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.703 0.313 -25.717 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.261 -5.425 -23.896 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.337 -6.299 -23.469 1.00 0.15 C ATOM 1331 C VAL A 89 -8.971 -5.771 -22.189 1.00 0.19 C ATOM 1332 O VAL A 89 -8.402 -5.885 -21.109 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.832 -7.751 -23.257 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.910 -8.626 -22.637 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.366 -8.350 -24.575 1.00 0.14 C ATOM 0 H VAL A 89 -6.333 -5.722 -23.593 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.089 -6.315 -24.258 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.989 -7.712 -22.567 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.525 -9.637 -22.501 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.200 -8.215 -21.670 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.779 -8.654 -23.295 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.015 -9.368 -24.408 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.195 -8.363 -25.282 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.553 -7.748 -24.981 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.139 -5.174 -22.333 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.879 -4.635 -21.204 1.00 0.16 C ATOM 1347 C LEU A 90 -11.991 -5.587 -20.815 1.00 0.11 C ATOM 1348 O LEU A 90 -12.548 -6.277 -21.669 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.475 -3.266 -21.545 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.548 -2.046 -21.388 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.109 -1.880 -19.938 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.332 -2.151 -22.295 1.00 1.12 C ATOM 0 H LEU A 90 -10.602 -5.048 -23.233 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.188 -4.516 -20.369 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.826 -3.296 -22.577 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.351 -3.110 -20.915 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.117 -1.165 -21.684 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.455 -1.012 -19.853 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.986 -1.737 -19.306 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.571 -2.772 -19.616 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.700 -1.274 -22.159 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.767 -3.048 -22.043 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.657 -2.206 -23.334 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.312 -5.639 -19.534 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.374 -6.501 -19.077 1.00 0.18 C ATOM 1366 C LYS A 91 -14.716 -5.810 -19.289 1.00 0.18 C ATOM 1367 O LYS A 91 -14.921 -4.675 -18.859 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.169 -6.875 -17.605 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.543 -8.316 -17.290 1.00 0.45 C ATOM 1370 CD LYS A 91 -15.030 -8.558 -17.427 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.728 -8.356 -16.105 1.00 0.71 C ATOM 1372 NZ LYS A 91 -15.393 -9.449 -15.150 1.00 1.33 N ATOM 0 H LYS A 91 -11.854 -5.097 -18.801 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.362 -7.425 -19.655 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.125 -6.712 -17.338 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.765 -6.208 -16.982 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -13.003 -8.985 -17.960 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.228 -8.559 -16.275 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.447 -7.879 -18.171 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -15.207 -9.572 -17.786 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.437 -7.395 -15.680 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.806 -8.323 -16.261 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -16.205 -9.624 -14.524 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.170 -10.316 -15.679 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -14.570 -9.171 -14.579 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.617 -6.497 -19.958 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.912 -5.945 -20.301 1.00 0.18 C ATOM 1388 C ILE A 92 -18.020 -6.742 -19.617 1.00 0.27 C ATOM 1389 O ILE A 92 -18.010 -7.970 -19.637 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.126 -5.978 -21.830 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.053 -5.142 -22.550 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.524 -5.497 -22.194 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.121 -3.660 -22.257 1.00 0.16 C ATOM 0 H ILE A 92 -15.473 -7.454 -20.280 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.945 -4.910 -19.959 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.029 -7.012 -22.162 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.068 -5.512 -22.265 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.152 -5.293 -23.625 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.650 -5.530 -23.276 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.265 -6.143 -21.723 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.659 -4.474 -21.844 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.331 -3.145 -22.803 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.091 -3.272 -22.569 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.990 -3.494 -21.188 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.954 -6.053 -18.988 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.064 -6.725 -18.338 1.00 0.65 C ATOM 1407 C ASN A 93 -21.396 -6.292 -18.929 1.00 0.72 C ATOM 1408 O ASN A 93 -21.627 -5.112 -19.194 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.055 -6.465 -16.833 1.00 0.84 C ATOM 1410 CG ASN A 93 -21.188 -7.170 -16.105 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -22.272 -6.616 -15.932 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -20.950 -8.400 -15.669 1.00 2.57 N ATOM 0 H ASN A 93 -18.967 -5.036 -18.913 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.941 -7.794 -18.511 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -19.102 -6.794 -16.418 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -20.127 -5.392 -16.654 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -21.678 -8.915 -15.174 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -20.039 -8.831 -15.829 1.00 2.57 H new ATOM 1419 N ASP A 94 -22.259 -7.266 -19.133 1.00 0.91 N ATOM 1420 CA ASP A 94 -23.613 -7.018 -19.608 1.00 1.18 C ATOM 1421 C ASP A 94 -24.630 -7.704 -18.704 1.00 1.71 C ATOM 1422 O ASP A 94 -24.338 -8.739 -18.098 1.00 2.21 O ATOM 1423 CB ASP A 94 -23.778 -7.503 -21.056 1.00 1.74 C ATOM 1424 CG ASP A 94 -25.233 -7.570 -21.493 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -25.958 -6.567 -21.334 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -25.655 -8.630 -22.005 1.00 2.81 O ATOM 0 H ASP A 94 -22.046 -8.251 -18.976 1.00 0.91 H new ATOM 0 HA ASP A 94 -23.791 -5.943 -19.581 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -23.234 -6.834 -21.723 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -23.327 -8.490 -21.157 1.00 1.74 H new TER 1431 ASP A 94