USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 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 29 TYR OH : rot 153:sc= 0.556 USER MOD Set 1.2: A 97 THR OG1 : rot 141:sc= 0.672 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.71) USER MOD Set 3.1: A 57 CYS SG : rot 80:sc= -0.267 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -3.07! C(o=-3.3!,f=-6!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00564 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.16! C(o=-3.2!,f=-3.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.493 K(o=0.49,f=-4.7!) USER MOD Single : A 38 SER OG : rot 96:sc= 0.15 USER MOD Single : A 47 ASN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 53 THR OG1 : rot -5:sc= -1.01! USER MOD Single : A 54 SER OG : rot 180:sc= -0.16 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0393 K(o=-0.039,f=-1.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 72 SER OG : rot 180:sc= 0.235 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.2!) USER MOD Single : A 81 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 87 CYS SG : rot 140:sc= -0.818 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -2.52 K(o=-2.5,f=-3.4) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -161:sc=-0.00999 (180deg=-0.176) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 117 GLN : amide:sc= -0.0705 X(o=-0.071,f=-0.53) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.3) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.63) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0087 K(o=-0.0087,f=-1.1) USER MOD Single : A 131 ASN : amide:sc= -0.0564 K(o=-0.056,f=-0.87) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 0.346 8.868 -7.434 1.00 20.34 N ATOM 2 CA GLY A 2 0.271 9.031 -8.874 1.00 5.14 C ATOM 3 C GLY A 2 0.870 10.344 -9.340 1.00 63.41 C ATOM 4 O GLY A 2 0.791 10.685 -10.519 1.00 75.14 O ATOM 0 HA2 GLY A 2 0.792 8.205 -9.358 1.00 5.14 H new ATOM 0 HA3 GLY A 2 -0.771 8.978 -9.189 1.00 5.14 H new ATOM 8 N ALA A 3 1.471 11.082 -8.412 1.00 74.23 N ATOM 9 CA ALA A 3 2.084 12.363 -8.735 1.00 42.20 C ATOM 10 C ALA A 3 3.598 12.230 -8.862 1.00 4.12 C ATOM 11 O ALA A 3 4.140 11.126 -8.805 1.00 3.01 O ATOM 12 CB ALA A 3 1.730 13.400 -7.678 1.00 63.53 C ATOM 0 H ALA A 3 1.546 10.814 -7.431 1.00 74.23 H new ATOM 0 HA ALA A 3 1.692 12.693 -9.697 1.00 42.20 H new ATOM 0 HB1 ALA A 3 2.195 14.352 -7.933 1.00 63.53 H new ATOM 0 HB2 ALA A 3 0.648 13.524 -7.638 1.00 63.53 H new ATOM 0 HB3 ALA A 3 2.093 13.067 -6.706 1.00 63.53 H new ATOM 18 N ARG A 4 4.275 13.361 -9.034 1.00 31.21 N ATOM 19 CA ARG A 4 5.727 13.370 -9.171 1.00 34.15 C ATOM 20 C ARG A 4 6.390 12.700 -7.970 1.00 73.33 C ATOM 21 O ARG A 4 7.507 12.194 -8.069 1.00 71.34 O ATOM 22 CB ARG A 4 6.238 14.804 -9.314 1.00 51.41 C ATOM 23 CG ARG A 4 7.753 14.910 -9.348 1.00 63.14 C ATOM 24 CD ARG A 4 8.209 16.359 -9.427 1.00 62.31 C ATOM 25 NE ARG A 4 9.585 16.473 -9.904 1.00 1.45 N ATOM 26 CZ ARG A 4 10.649 16.275 -9.133 1.00 73.11 C ATOM 27 NH1 ARG A 4 10.495 15.952 -7.857 1.00 34.54 N ATOM 28 NH2 ARG A 4 11.869 16.398 -9.638 1.00 52.25 N ATOM 0 H ARG A 4 3.841 14.283 -9.082 1.00 31.21 H new ATOM 0 HA ARG A 4 5.986 12.808 -10.068 1.00 34.15 H new ATOM 0 HB2 ARG A 4 5.831 15.236 -10.228 1.00 51.41 H new ATOM 0 HB3 ARG A 4 5.859 15.400 -8.484 1.00 51.41 H new ATOM 0 HG2 ARG A 4 8.171 14.444 -8.456 1.00 63.14 H new ATOM 0 HG3 ARG A 4 8.138 14.359 -10.206 1.00 63.14 H new ATOM 0 HD2 ARG A 4 7.547 16.912 -10.094 1.00 62.31 H new ATOM 0 HD3 ARG A 4 8.127 16.819 -8.442 1.00 62.31 H new ATOM 0 HE ARG A 4 9.737 16.718 -10.882 1.00 1.45 H new ATOM 0 HH11 ARG A 4 9.558 15.855 -7.465 1.00 34.54 H new ATOM 0 HH12 ARG A 4 11.313 15.800 -7.267 1.00 34.54 H new ATOM 0 HH21 ARG A 4 11.992 16.645 -10.620 1.00 52.25 H new ATOM 0 HH22 ARG A 4 12.684 16.246 -9.044 1.00 52.25 H new ATOM 42 N ALA A 5 5.693 12.701 -6.839 1.00 1.40 N ATOM 43 CA ALA A 5 6.213 12.093 -5.620 1.00 72.33 C ATOM 44 C ALA A 5 5.947 10.591 -5.600 1.00 23.22 C ATOM 45 O ALA A 5 4.973 10.116 -6.185 1.00 12.01 O ATOM 46 CB ALA A 5 5.601 12.755 -4.396 1.00 11.24 C ATOM 0 H ALA A 5 4.766 13.116 -6.741 1.00 1.40 H new ATOM 0 HA ALA A 5 7.292 12.246 -5.599 1.00 72.33 H new ATOM 0 HB1 ALA A 5 5.999 12.290 -3.494 1.00 11.24 H new ATOM 0 HB2 ALA A 5 5.847 13.817 -4.396 1.00 11.24 H new ATOM 0 HB3 ALA A 5 4.518 12.633 -4.420 1.00 11.24 H new ATOM 52 N SER A 6 6.819 9.849 -4.925 1.00 14.41 N ATOM 53 CA SER A 6 6.680 8.400 -4.832 1.00 14.51 C ATOM 54 C SER A 6 7.718 7.814 -3.881 1.00 42.52 C ATOM 55 O SER A 6 8.799 8.377 -3.701 1.00 51.31 O ATOM 56 CB SER A 6 6.823 7.764 -6.216 1.00 12.02 C ATOM 57 OG SER A 6 8.135 7.933 -6.722 1.00 43.45 O ATOM 0 H SER A 6 7.629 10.227 -4.434 1.00 14.41 H new ATOM 0 HA SER A 6 5.688 8.179 -4.439 1.00 14.51 H new ATOM 0 HB2 SER A 6 6.587 6.702 -6.158 1.00 12.02 H new ATOM 0 HB3 SER A 6 6.105 8.213 -6.902 1.00 12.02 H new ATOM 0 HG SER A 6 8.201 7.516 -7.607 1.00 43.45 H new ATOM 63 N ARG A 7 7.383 6.681 -3.274 1.00 1.11 N ATOM 64 CA ARG A 7 8.284 6.018 -2.339 1.00 65.01 C ATOM 65 C ARG A 7 8.679 4.637 -2.852 1.00 61.51 C ATOM 66 O ARG A 7 9.838 4.398 -3.196 1.00 74.03 O ATOM 67 CB ARG A 7 7.628 5.895 -0.964 1.00 12.35 C ATOM 68 CG ARG A 7 8.115 6.929 0.039 1.00 21.22 C ATOM 69 CD ARG A 7 7.600 8.319 -0.299 1.00 74.43 C ATOM 70 NE ARG A 7 8.595 9.114 -1.012 1.00 24.30 N ATOM 71 CZ ARG A 7 9.554 9.806 -0.407 1.00 44.42 C ATOM 72 NH1 ARG A 7 9.646 9.801 0.916 1.00 11.14 N ATOM 73 NH2 ARG A 7 10.424 10.505 -1.125 1.00 21.25 N ATOM 0 H ARG A 7 6.493 6.202 -3.413 1.00 1.11 H new ATOM 0 HA ARG A 7 9.185 6.625 -2.250 1.00 65.01 H new ATOM 0 HB2 ARG A 7 6.548 5.991 -1.076 1.00 12.35 H new ATOM 0 HB3 ARG A 7 7.820 4.898 -0.567 1.00 12.35 H new ATOM 0 HG2 ARG A 7 7.784 6.651 1.040 1.00 21.22 H new ATOM 0 HG3 ARG A 7 9.205 6.937 0.054 1.00 21.22 H new ATOM 0 HD2 ARG A 7 6.700 8.234 -0.908 1.00 74.43 H new ATOM 0 HD3 ARG A 7 7.316 8.833 0.619 1.00 74.43 H new ATOM 0 HE ARG A 7 8.552 9.140 -2.031 1.00 24.30 H new ATOM 0 HH11 ARG A 7 8.979 9.265 1.472 1.00 11.14 H new ATOM 0 HH12 ARG A 7 10.383 10.333 1.378 1.00 11.14 H new ATOM 0 HH21 ARG A 7 10.357 10.511 -2.143 1.00 21.25 H new ATOM 0 HH22 ARG A 7 11.160 11.036 -0.659 1.00 21.25 H new ATOM 87 N LEU A 8 7.710 3.730 -2.899 1.00 54.12 N ATOM 88 CA LEU A 8 7.956 2.371 -3.369 1.00 75.33 C ATOM 89 C LEU A 8 8.442 2.374 -4.815 1.00 61.04 C ATOM 90 O LEU A 8 8.333 3.381 -5.514 1.00 60.44 O ATOM 91 CB LEU A 8 6.682 1.531 -3.249 1.00 23.21 C ATOM 92 CG LEU A 8 6.108 1.380 -1.840 1.00 1.31 C ATOM 93 CD1 LEU A 8 4.961 0.382 -1.835 1.00 42.13 C ATOM 94 CD2 LEU A 8 7.194 0.953 -0.864 1.00 60.54 C ATOM 0 H LEU A 8 6.746 3.911 -2.617 1.00 54.12 H new ATOM 0 HA LEU A 8 8.734 1.932 -2.745 1.00 75.33 H new ATOM 0 HB2 LEU A 8 5.917 1.975 -3.886 1.00 23.21 H new ATOM 0 HB3 LEU A 8 6.888 0.536 -3.644 1.00 23.21 H new ATOM 0 HG LEU A 8 5.721 2.348 -1.521 1.00 1.31 H new ATOM 0 HD11 LEU A 8 4.565 0.288 -0.824 1.00 42.13 H new ATOM 0 HD12 LEU A 8 4.173 0.730 -2.502 1.00 42.13 H new ATOM 0 HD13 LEU A 8 5.322 -0.589 -2.175 1.00 42.13 H new ATOM 0 HD21 LEU A 8 6.767 0.851 0.134 1.00 60.54 H new ATOM 0 HD22 LEU A 8 7.612 -0.003 -1.180 1.00 60.54 H new ATOM 0 HD23 LEU A 8 7.983 1.705 -0.846 1.00 60.54 H new ATOM 106 N SER A 9 8.976 1.240 -5.257 1.00 0.30 N ATOM 107 CA SER A 9 9.481 1.113 -6.619 1.00 54.12 C ATOM 108 C SER A 9 9.243 -0.295 -7.157 1.00 4.00 C ATOM 109 O SER A 9 8.675 -1.145 -6.473 1.00 54.51 O ATOM 110 CB SER A 9 10.974 1.443 -6.666 1.00 2.31 C ATOM 111 OG SER A 9 11.237 2.700 -6.067 1.00 52.32 O ATOM 0 H SER A 9 9.070 0.396 -4.692 1.00 0.30 H new ATOM 0 HA SER A 9 8.940 1.821 -7.248 1.00 54.12 H new ATOM 0 HB2 SER A 9 11.538 0.666 -6.150 1.00 2.31 H new ATOM 0 HB3 SER A 9 11.316 1.451 -7.701 1.00 2.31 H new ATOM 0 HG SER A 9 12.198 2.887 -6.108 1.00 52.32 H new ATOM 117 N GLY A 10 9.683 -0.534 -8.389 1.00 4.14 N ATOM 118 CA GLY A 10 9.509 -1.839 -8.999 1.00 4.22 C ATOM 119 C GLY A 10 9.861 -2.971 -8.056 1.00 20.45 C ATOM 120 O GLY A 10 9.211 -4.016 -8.058 1.00 14.45 O ATOM 0 H GLY A 10 10.157 0.153 -8.975 1.00 4.14 H new ATOM 0 HA2 GLY A 10 8.475 -1.950 -9.324 1.00 4.22 H new ATOM 0 HA3 GLY A 10 10.132 -1.906 -9.891 1.00 4.22 H new ATOM 124 N GLY A 11 10.896 -2.765 -7.246 1.00 74.30 N ATOM 125 CA GLY A 11 11.316 -3.788 -6.305 1.00 3.21 C ATOM 126 C GLY A 11 10.255 -4.092 -5.267 1.00 10.41 C ATOM 127 O GLY A 11 9.850 -5.242 -5.103 1.00 0.33 O ATOM 0 H GLY A 11 11.450 -1.909 -7.225 1.00 74.30 H new ATOM 0 HA2 GLY A 11 11.559 -4.700 -6.850 1.00 3.21 H new ATOM 0 HA3 GLY A 11 12.228 -3.464 -5.804 1.00 3.21 H new ATOM 131 N GLU A 12 9.805 -3.058 -4.563 1.00 13.01 N ATOM 132 CA GLU A 12 8.786 -3.223 -3.532 1.00 53.52 C ATOM 133 C GLU A 12 7.447 -3.617 -4.150 1.00 54.33 C ATOM 134 O GLU A 12 6.668 -4.359 -3.550 1.00 13.10 O ATOM 135 CB GLU A 12 8.628 -1.930 -2.728 1.00 53.25 C ATOM 136 CG GLU A 12 9.266 -1.989 -1.350 1.00 50.23 C ATOM 137 CD GLU A 12 8.419 -2.750 -0.348 1.00 64.02 C ATOM 138 OE1 GLU A 12 7.943 -3.852 -0.692 1.00 25.54 O ATOM 139 OE2 GLU A 12 8.233 -2.243 0.778 1.00 61.13 O ATOM 0 H GLU A 12 10.129 -2.099 -4.687 1.00 13.01 H new ATOM 0 HA GLU A 12 9.108 -4.021 -2.863 1.00 53.52 H new ATOM 0 HB2 GLU A 12 9.070 -1.107 -3.289 1.00 53.25 H new ATOM 0 HB3 GLU A 12 7.567 -1.707 -2.619 1.00 53.25 H new ATOM 0 HG2 GLU A 12 10.245 -2.462 -1.427 1.00 50.23 H new ATOM 0 HG3 GLU A 12 9.430 -0.975 -0.986 1.00 50.23 H new ATOM 146 N LEU A 13 7.186 -3.114 -5.352 1.00 10.23 N ATOM 147 CA LEU A 13 5.941 -3.412 -6.052 1.00 71.10 C ATOM 148 C LEU A 13 5.746 -4.918 -6.198 1.00 51.45 C ATOM 149 O LEU A 13 4.654 -5.437 -5.967 1.00 63.22 O ATOM 150 CB LEU A 13 5.937 -2.750 -7.431 1.00 0.14 C ATOM 151 CG LEU A 13 4.812 -1.746 -7.690 1.00 31.35 C ATOM 152 CD1 LEU A 13 4.808 -0.662 -6.625 1.00 0.45 C ATOM 153 CD2 LEU A 13 4.952 -1.135 -9.076 1.00 71.21 C ATOM 0 H LEU A 13 7.820 -2.498 -5.862 1.00 10.23 H new ATOM 0 HA LEU A 13 5.116 -3.013 -5.462 1.00 71.10 H new ATOM 0 HB2 LEU A 13 6.891 -2.241 -7.570 1.00 0.14 H new ATOM 0 HB3 LEU A 13 5.880 -3.533 -8.188 1.00 0.14 H new ATOM 0 HG LEU A 13 3.860 -2.275 -7.643 1.00 31.35 H new ATOM 0 HD11 LEU A 13 4.001 0.043 -6.826 1.00 0.45 H new ATOM 0 HD12 LEU A 13 4.658 -1.115 -5.645 1.00 0.45 H new ATOM 0 HD13 LEU A 13 5.762 -0.135 -6.639 1.00 0.45 H new ATOM 0 HD21 LEU A 13 4.144 -0.423 -9.243 1.00 71.21 H new ATOM 0 HD22 LEU A 13 5.910 -0.620 -9.152 1.00 71.21 H new ATOM 0 HD23 LEU A 13 4.903 -1.923 -9.828 1.00 71.21 H new ATOM 165 N ASP A 14 6.811 -5.612 -6.581 1.00 63.42 N ATOM 166 CA ASP A 14 6.758 -7.060 -6.755 1.00 51.30 C ATOM 167 C ASP A 14 6.048 -7.723 -5.580 1.00 4.25 C ATOM 168 O ASP A 14 5.286 -8.673 -5.756 1.00 22.01 O ATOM 169 CB ASP A 14 8.170 -7.629 -6.902 1.00 31.11 C ATOM 170 CG ASP A 14 8.351 -8.402 -8.193 1.00 24.01 C ATOM 171 OD1 ASP A 14 7.728 -8.020 -9.205 1.00 41.23 O ATOM 172 OD2 ASP A 14 9.116 -9.391 -8.191 1.00 51.51 O ATOM 0 H ASP A 14 7.722 -5.197 -6.777 1.00 63.42 H new ATOM 0 HA ASP A 14 6.193 -7.272 -7.663 1.00 51.30 H new ATOM 0 HB2 ASP A 14 8.893 -6.814 -6.866 1.00 31.11 H new ATOM 0 HB3 ASP A 14 8.385 -8.283 -6.057 1.00 31.11 H new ATOM 177 N LYS A 15 6.304 -7.216 -4.378 1.00 23.11 N ATOM 178 CA LYS A 15 5.690 -7.757 -3.171 1.00 65.20 C ATOM 179 C LYS A 15 4.286 -7.196 -2.976 1.00 54.33 C ATOM 180 O LYS A 15 3.368 -7.919 -2.589 1.00 15.34 O ATOM 181 CB LYS A 15 6.554 -7.438 -1.948 1.00 54.33 C ATOM 182 CG LYS A 15 7.236 -8.657 -1.350 1.00 55.43 C ATOM 183 CD LYS A 15 8.405 -8.261 -0.464 1.00 64.02 C ATOM 184 CE LYS A 15 7.952 -7.963 0.957 1.00 42.12 C ATOM 185 NZ LYS A 15 9.101 -7.895 1.902 1.00 53.12 N ATOM 0 H LYS A 15 6.933 -6.430 -4.214 1.00 23.11 H new ATOM 0 HA LYS A 15 5.616 -8.839 -3.284 1.00 65.20 H new ATOM 0 HB2 LYS A 15 7.314 -6.709 -2.230 1.00 54.33 H new ATOM 0 HB3 LYS A 15 5.931 -6.970 -1.186 1.00 54.33 H new ATOM 0 HG2 LYS A 15 6.514 -9.230 -0.768 1.00 55.43 H new ATOM 0 HG3 LYS A 15 7.588 -9.308 -2.150 1.00 55.43 H new ATOM 0 HD2 LYS A 15 9.142 -9.064 -0.451 1.00 64.02 H new ATOM 0 HD3 LYS A 15 8.898 -7.383 -0.881 1.00 64.02 H new ATOM 0 HE2 LYS A 15 7.410 -7.017 0.975 1.00 42.12 H new ATOM 0 HE3 LYS A 15 7.256 -8.735 1.286 1.00 42.12 H new ATOM 0 HZ1 LYS A 15 8.751 -7.690 2.860 1.00 53.12 H new ATOM 0 HZ2 LYS A 15 9.603 -8.806 1.904 1.00 53.12 H new ATOM 0 HZ3 LYS A 15 9.752 -7.141 1.603 1.00 53.12 H new ATOM 199 N TRP A 16 4.126 -5.906 -3.249 1.00 25.10 N ATOM 200 CA TRP A 16 2.832 -5.249 -3.105 1.00 34.44 C ATOM 201 C TRP A 16 1.782 -5.915 -3.987 1.00 72.12 C ATOM 202 O TRP A 16 0.623 -6.048 -3.596 1.00 31.24 O ATOM 203 CB TRP A 16 2.948 -3.766 -3.459 1.00 33.34 C ATOM 204 CG TRP A 16 1.623 -3.069 -3.537 1.00 44.11 C ATOM 205 CD1 TRP A 16 1.005 -2.608 -4.664 1.00 33.02 C ATOM 206 CD2 TRP A 16 0.756 -2.751 -2.443 1.00 3.03 C ATOM 207 NE1 TRP A 16 -0.195 -2.024 -4.336 1.00 13.14 N ATOM 208 CE2 TRP A 16 -0.371 -2.099 -2.980 1.00 32.54 C ATOM 209 CE3 TRP A 16 0.821 -2.956 -1.062 1.00 22.41 C ATOM 210 CZ2 TRP A 16 -1.421 -1.651 -2.183 1.00 75.00 C ATOM 211 CZ3 TRP A 16 -0.222 -2.510 -0.272 1.00 63.12 C ATOM 212 CH2 TRP A 16 -1.331 -1.865 -0.834 1.00 43.20 C ATOM 0 H TRP A 16 4.876 -5.294 -3.571 1.00 25.10 H new ATOM 0 HA TRP A 16 2.518 -5.343 -2.065 1.00 34.44 H new ATOM 0 HB2 TRP A 16 3.569 -3.269 -2.713 1.00 33.34 H new ATOM 0 HB3 TRP A 16 3.460 -3.667 -4.416 1.00 33.34 H new ATOM 0 HD1 TRP A 16 1.401 -2.690 -5.665 1.00 33.02 H new ATOM 0 HE1 TRP A 16 -0.849 -1.603 -4.996 1.00 13.14 H new ATOM 0 HE3 TRP A 16 1.671 -3.454 -0.620 1.00 22.41 H new ATOM 0 HZ2 TRP A 16 -2.276 -1.152 -2.614 1.00 75.00 H new ATOM 0 HZ3 TRP A 16 -0.181 -2.661 0.797 1.00 63.12 H new ATOM 0 HH2 TRP A 16 -2.131 -1.530 -0.190 1.00 43.20 H new ATOM 223 N GLU A 17 2.196 -6.332 -5.181 1.00 15.21 N ATOM 224 CA GLU A 17 1.289 -6.983 -6.118 1.00 73.24 C ATOM 225 C GLU A 17 1.190 -8.478 -5.830 1.00 73.50 C ATOM 226 O GLU A 17 0.390 -9.188 -6.438 1.00 73.13 O ATOM 227 CB GLU A 17 1.760 -6.760 -7.557 1.00 2.22 C ATOM 228 CG GLU A 17 1.559 -5.337 -8.049 1.00 4.44 C ATOM 229 CD GLU A 17 1.346 -5.262 -9.548 1.00 74.25 C ATOM 230 OE1 GLU A 17 0.714 -6.186 -10.104 1.00 12.32 O ATOM 231 OE2 GLU A 17 1.810 -4.282 -10.166 1.00 14.43 O ATOM 0 H GLU A 17 3.152 -6.230 -5.521 1.00 15.21 H new ATOM 0 HA GLU A 17 0.301 -6.540 -5.994 1.00 73.24 H new ATOM 0 HB2 GLU A 17 2.818 -7.014 -7.628 1.00 2.22 H new ATOM 0 HB3 GLU A 17 1.223 -7.443 -8.216 1.00 2.22 H new ATOM 0 HG2 GLU A 17 0.699 -4.899 -7.541 1.00 4.44 H new ATOM 0 HG3 GLU A 17 2.428 -4.737 -7.779 1.00 4.44 H new ATOM 238 N LYS A 18 2.010 -8.951 -4.897 1.00 42.53 N ATOM 239 CA LYS A 18 2.017 -10.360 -4.525 1.00 33.51 C ATOM 240 C LYS A 18 0.946 -10.652 -3.478 1.00 40.12 C ATOM 241 O LYS A 18 0.603 -11.809 -3.234 1.00 24.21 O ATOM 242 CB LYS A 18 3.392 -10.761 -3.988 1.00 42.23 C ATOM 243 CG LYS A 18 3.619 -12.263 -3.958 1.00 3.42 C ATOM 244 CD LYS A 18 4.916 -12.645 -4.651 1.00 4.03 C ATOM 245 CE LYS A 18 5.335 -14.066 -4.304 1.00 42.51 C ATOM 246 NZ LYS A 18 5.054 -15.014 -5.417 1.00 42.25 N ATOM 0 H LYS A 18 2.679 -8.377 -4.384 1.00 42.53 H new ATOM 0 HA LYS A 18 1.798 -10.946 -5.418 1.00 33.51 H new ATOM 0 HB2 LYS A 18 4.163 -10.298 -4.604 1.00 42.23 H new ATOM 0 HB3 LYS A 18 3.509 -10.364 -2.980 1.00 42.23 H new ATOM 0 HG2 LYS A 18 3.643 -12.608 -2.924 1.00 3.42 H new ATOM 0 HG3 LYS A 18 2.784 -12.768 -4.443 1.00 3.42 H new ATOM 0 HD2 LYS A 18 4.794 -12.554 -5.730 1.00 4.03 H new ATOM 0 HD3 LYS A 18 5.704 -11.951 -4.359 1.00 4.03 H new ATOM 0 HE2 LYS A 18 6.400 -14.084 -4.071 1.00 42.51 H new ATOM 0 HE3 LYS A 18 4.807 -14.392 -3.408 1.00 42.51 H new ATOM 0 HZ1 LYS A 18 5.354 -15.971 -5.142 1.00 42.25 H new ATOM 0 HZ2 LYS A 18 4.034 -15.016 -5.622 1.00 42.25 H new ATOM 0 HZ3 LYS A 18 5.577 -14.718 -6.266 1.00 42.25 H new ATOM 260 N ILE A 19 0.421 -9.596 -2.865 1.00 72.31 N ATOM 261 CA ILE A 19 -0.612 -9.741 -1.847 1.00 40.32 C ATOM 262 C ILE A 19 -1.988 -9.915 -2.482 1.00 32.35 C ATOM 263 O ILE A 19 -2.376 -9.154 -3.367 1.00 70.35 O ATOM 264 CB ILE A 19 -0.645 -8.524 -0.903 1.00 73.04 C ATOM 265 CG1 ILE A 19 0.725 -8.315 -0.257 1.00 30.52 C ATOM 266 CG2 ILE A 19 -1.717 -8.709 0.161 1.00 5.43 C ATOM 267 CD1 ILE A 19 1.236 -6.897 -0.368 1.00 42.44 C ATOM 0 H ILE A 19 0.694 -8.632 -3.056 1.00 72.31 H new ATOM 0 HA ILE A 19 -0.365 -10.632 -1.270 1.00 40.32 H new ATOM 0 HB ILE A 19 -0.889 -7.636 -1.486 1.00 73.04 H new ATOM 0 HG12 ILE A 19 0.667 -8.590 0.796 1.00 30.52 H new ATOM 0 HG13 ILE A 19 1.444 -8.989 -0.723 1.00 30.52 H new ATOM 0 HG21 ILE A 19 -1.729 -7.841 0.821 1.00 5.43 H new ATOM 0 HG22 ILE A 19 -2.691 -8.814 -0.318 1.00 5.43 H new ATOM 0 HG23 ILE A 19 -1.501 -9.605 0.743 1.00 5.43 H new ATOM 0 HD11 ILE A 19 2.212 -6.823 0.112 1.00 42.44 H new ATOM 0 HD12 ILE A 19 1.327 -6.624 -1.419 1.00 42.44 H new ATOM 0 HD13 ILE A 19 0.538 -6.219 0.123 1.00 42.44 H new ATOM 279 N ARG A 20 -2.723 -10.922 -2.020 1.00 25.34 N ATOM 280 CA ARG A 20 -4.056 -11.198 -2.541 1.00 43.22 C ATOM 281 C ARG A 20 -5.105 -10.356 -1.821 1.00 72.33 C ATOM 282 O ARG A 20 -5.056 -10.193 -0.602 1.00 25.14 O ATOM 283 CB ARG A 20 -4.388 -12.683 -2.393 1.00 30.01 C ATOM 284 CG ARG A 20 -4.152 -13.490 -3.659 1.00 24.33 C ATOM 285 CD ARG A 20 -3.469 -14.815 -3.356 1.00 60.41 C ATOM 286 NE ARG A 20 -2.750 -15.338 -4.515 1.00 43.44 N ATOM 287 CZ ARG A 20 -1.810 -16.273 -4.437 1.00 1.24 C ATOM 288 NH1 ARG A 20 -1.478 -16.785 -3.260 1.00 32.43 N ATOM 289 NH2 ARG A 20 -1.200 -16.697 -5.536 1.00 11.35 N ATOM 0 H ARG A 20 -2.417 -11.560 -1.285 1.00 25.34 H new ATOM 0 HA ARG A 20 -4.067 -10.935 -3.599 1.00 43.22 H new ATOM 0 HB2 ARG A 20 -3.785 -13.103 -1.587 1.00 30.01 H new ATOM 0 HB3 ARG A 20 -5.432 -12.785 -2.097 1.00 30.01 H new ATOM 0 HG2 ARG A 20 -5.104 -13.676 -4.156 1.00 24.33 H new ATOM 0 HG3 ARG A 20 -3.538 -12.913 -4.351 1.00 24.33 H new ATOM 0 HD2 ARG A 20 -2.773 -14.683 -2.527 1.00 60.41 H new ATOM 0 HD3 ARG A 20 -4.215 -15.542 -3.034 1.00 60.41 H new ATOM 0 HE ARG A 20 -2.983 -14.964 -5.435 1.00 43.44 H new ATOM 0 HH11 ARG A 20 -1.945 -16.461 -2.413 1.00 32.43 H new ATOM 0 HH12 ARG A 20 -0.756 -17.503 -3.202 1.00 32.43 H new ATOM 0 HH21 ARG A 20 -1.453 -16.305 -6.443 1.00 11.35 H new ATOM 0 HH22 ARG A 20 -0.478 -17.415 -5.474 1.00 11.35 H new ATOM 303 N LEU A 21 -6.054 -9.823 -2.584 1.00 72.41 N ATOM 304 CA LEU A 21 -7.116 -8.998 -2.020 1.00 2.52 C ATOM 305 C LEU A 21 -8.065 -9.838 -1.171 1.00 51.42 C ATOM 306 O LEU A 21 -8.458 -9.433 -0.076 1.00 61.24 O ATOM 307 CB LEU A 21 -7.894 -8.299 -3.136 1.00 1.31 C ATOM 308 CG LEU A 21 -7.052 -7.582 -4.192 1.00 74.14 C ATOM 309 CD1 LEU A 21 -7.863 -7.362 -5.461 1.00 1.10 C ATOM 310 CD2 LEU A 21 -6.533 -6.258 -3.652 1.00 52.24 C ATOM 0 H LEU A 21 -6.109 -9.948 -3.595 1.00 72.41 H new ATOM 0 HA LEU A 21 -6.656 -8.245 -1.380 1.00 2.52 H new ATOM 0 HB2 LEU A 21 -8.516 -9.040 -3.638 1.00 1.31 H new ATOM 0 HB3 LEU A 21 -8.568 -7.572 -2.682 1.00 1.31 H new ATOM 0 HG LEU A 21 -6.196 -8.211 -4.436 1.00 74.14 H new ATOM 0 HD11 LEU A 21 -7.248 -6.851 -6.202 1.00 1.10 H new ATOM 0 HD12 LEU A 21 -8.185 -8.325 -5.859 1.00 1.10 H new ATOM 0 HD13 LEU A 21 -8.738 -6.753 -5.233 1.00 1.10 H new ATOM 0 HD21 LEU A 21 -5.936 -5.762 -4.417 1.00 52.24 H new ATOM 0 HD22 LEU A 21 -7.375 -5.621 -3.379 1.00 52.24 H new ATOM 0 HD23 LEU A 21 -5.916 -6.441 -2.772 1.00 52.24 H new ATOM 322 N ARG A 22 -8.429 -11.009 -1.683 1.00 4.10 N ATOM 323 CA ARG A 22 -9.332 -11.906 -0.971 1.00 60.34 C ATOM 324 C ARG A 22 -8.564 -13.068 -0.348 1.00 20.00 C ATOM 325 O ARG A 22 -7.412 -13.335 -0.688 1.00 23.44 O ATOM 326 CB ARG A 22 -10.405 -12.441 -1.920 1.00 72.51 C ATOM 327 CG ARG A 22 -11.752 -11.754 -1.766 1.00 54.04 C ATOM 328 CD ARG A 22 -12.466 -11.621 -3.104 1.00 23.24 C ATOM 329 NE ARG A 22 -13.917 -11.608 -2.949 1.00 73.23 N ATOM 330 CZ ARG A 22 -14.640 -12.695 -2.698 1.00 44.42 C ATOM 331 NH1 ARG A 22 -14.048 -13.874 -2.573 1.00 51.11 N ATOM 332 NH2 ARG A 22 -15.958 -12.602 -2.571 1.00 63.23 N ATOM 0 H ARG A 22 -8.113 -11.359 -2.587 1.00 4.10 H new ATOM 0 HA ARG A 22 -9.812 -11.340 -0.172 1.00 60.34 H new ATOM 0 HB2 ARG A 22 -10.061 -12.322 -2.948 1.00 72.51 H new ATOM 0 HB3 ARG A 22 -10.530 -13.510 -1.748 1.00 72.51 H new ATOM 0 HG2 ARG A 22 -12.375 -12.322 -1.075 1.00 54.04 H new ATOM 0 HG3 ARG A 22 -11.610 -10.766 -1.328 1.00 54.04 H new ATOM 0 HD2 ARG A 22 -12.146 -10.703 -3.597 1.00 23.24 H new ATOM 0 HD3 ARG A 22 -12.178 -12.448 -3.753 1.00 23.24 H new ATOM 0 HE ARG A 22 -14.403 -10.716 -3.038 1.00 73.23 H new ATOM 0 HH11 ARG A 22 -13.035 -13.949 -2.669 1.00 51.11 H new ATOM 0 HH12 ARG A 22 -14.605 -14.706 -2.380 1.00 51.11 H new ATOM 0 HH21 ARG A 22 -16.417 -11.696 -2.666 1.00 63.23 H new ATOM 0 HH22 ARG A 22 -16.512 -13.437 -2.378 1.00 63.23 H new ATOM 346 N PRO A 23 -9.216 -13.774 0.588 1.00 2.23 N ATOM 347 CA PRO A 23 -8.614 -14.918 1.278 1.00 23.14 C ATOM 348 C PRO A 23 -8.430 -16.120 0.359 1.00 55.32 C ATOM 349 O PRO A 23 -7.346 -16.696 0.282 1.00 75.33 O ATOM 350 CB PRO A 23 -9.625 -15.239 2.382 1.00 14.31 C ATOM 351 CG PRO A 23 -10.924 -14.723 1.867 1.00 62.33 C ATOM 352 CD PRO A 23 -10.591 -13.511 1.043 1.00 60.12 C ATOM 0 HA PRO A 23 -7.615 -14.689 1.649 1.00 23.14 H new ATOM 0 HB2 PRO A 23 -9.673 -16.311 2.575 1.00 14.31 H new ATOM 0 HB3 PRO A 23 -9.352 -14.758 3.321 1.00 14.31 H new ATOM 0 HG2 PRO A 23 -11.432 -15.476 1.265 1.00 62.33 H new ATOM 0 HG3 PRO A 23 -11.594 -14.465 2.687 1.00 62.33 H new ATOM 0 HD2 PRO A 23 -11.277 -13.395 0.204 1.00 60.12 H new ATOM 0 HD3 PRO A 23 -10.651 -12.596 1.632 1.00 60.12 H new ATOM 360 N GLY A 24 -9.499 -16.494 -0.340 1.00 0.14 N ATOM 361 CA GLY A 24 -9.434 -17.626 -1.245 1.00 50.00 C ATOM 362 C GLY A 24 -9.654 -17.224 -2.690 1.00 73.12 C ATOM 363 O GLY A 24 -10.200 -17.994 -3.479 1.00 71.53 O ATOM 0 H GLY A 24 -10.408 -16.033 -0.295 1.00 0.14 H new ATOM 0 HA2 GLY A 24 -8.462 -18.109 -1.149 1.00 50.00 H new ATOM 0 HA3 GLY A 24 -10.185 -18.362 -0.957 1.00 50.00 H new ATOM 367 N GLY A 25 -9.228 -16.013 -3.038 1.00 60.53 N ATOM 368 CA GLY A 25 -9.392 -15.532 -4.398 1.00 24.12 C ATOM 369 C GLY A 25 -8.110 -15.617 -5.201 1.00 64.45 C ATOM 370 O GLY A 25 -7.150 -16.270 -4.788 1.00 11.24 O ATOM 0 H GLY A 25 -8.773 -15.357 -2.403 1.00 60.53 H new ATOM 0 HA2 GLY A 25 -10.168 -16.114 -4.895 1.00 24.12 H new ATOM 0 HA3 GLY A 25 -9.735 -14.498 -4.375 1.00 24.12 H new ATOM 374 N LYS A 26 -8.091 -14.957 -6.355 1.00 2.15 N ATOM 375 CA LYS A 26 -6.917 -14.960 -7.219 1.00 22.30 C ATOM 376 C LYS A 26 -6.481 -13.536 -7.551 1.00 1.24 C ATOM 377 O LYS A 26 -5.512 -13.326 -8.280 1.00 10.23 O ATOM 378 CB LYS A 26 -7.212 -15.728 -8.510 1.00 4.54 C ATOM 379 CG LYS A 26 -7.583 -17.183 -8.281 1.00 10.45 C ATOM 380 CD LYS A 26 -8.101 -17.833 -9.553 1.00 11.33 C ATOM 381 CE LYS A 26 -7.104 -18.835 -10.113 1.00 2.22 C ATOM 382 NZ LYS A 26 -7.393 -19.169 -11.535 1.00 53.01 N ATOM 0 H LYS A 26 -8.876 -14.413 -6.713 1.00 2.15 H new ATOM 0 HA LYS A 26 -6.105 -15.454 -6.685 1.00 22.30 H new ATOM 0 HB2 LYS A 26 -8.026 -15.233 -9.039 1.00 4.54 H new ATOM 0 HB3 LYS A 26 -6.337 -15.683 -9.158 1.00 4.54 H new ATOM 0 HG2 LYS A 26 -6.711 -17.729 -7.921 1.00 10.45 H new ATOM 0 HG3 LYS A 26 -8.343 -17.247 -7.503 1.00 10.45 H new ATOM 0 HD2 LYS A 26 -9.046 -18.335 -9.347 1.00 11.33 H new ATOM 0 HD3 LYS A 26 -8.304 -17.065 -10.299 1.00 11.33 H new ATOM 0 HE2 LYS A 26 -6.096 -18.428 -10.033 1.00 2.22 H new ATOM 0 HE3 LYS A 26 -7.128 -19.745 -9.514 1.00 2.22 H new ATOM 0 HZ1 LYS A 26 -6.691 -19.855 -11.880 1.00 53.01 H new ATOM 0 HZ2 LYS A 26 -8.345 -19.581 -11.608 1.00 53.01 H new ATOM 0 HZ3 LYS A 26 -7.345 -18.305 -12.111 1.00 53.01 H new ATOM 396 N LYS A 27 -7.203 -12.561 -7.009 1.00 50.10 N ATOM 397 CA LYS A 27 -6.890 -11.156 -7.244 1.00 54.55 C ATOM 398 C LYS A 27 -5.805 -10.673 -6.288 1.00 33.13 C ATOM 399 O LYS A 27 -5.591 -11.264 -5.230 1.00 25.04 O ATOM 400 CB LYS A 27 -8.147 -10.298 -7.082 1.00 75.32 C ATOM 401 CG LYS A 27 -9.298 -10.732 -7.973 1.00 73.50 C ATOM 402 CD LYS A 27 -10.641 -10.494 -7.303 1.00 33.22 C ATOM 403 CE LYS A 27 -11.494 -9.513 -8.095 1.00 23.44 C ATOM 404 NZ LYS A 27 -12.536 -10.208 -8.898 1.00 73.45 N ATOM 0 H LYS A 27 -8.009 -12.718 -6.404 1.00 50.10 H new ATOM 0 HA LYS A 27 -6.520 -11.058 -8.265 1.00 54.55 H new ATOM 0 HB2 LYS A 27 -8.470 -10.334 -6.042 1.00 75.32 H new ATOM 0 HB3 LYS A 27 -7.899 -9.260 -7.303 1.00 75.32 H new ATOM 0 HG2 LYS A 27 -9.258 -10.184 -8.914 1.00 73.50 H new ATOM 0 HG3 LYS A 27 -9.193 -11.790 -8.215 1.00 73.50 H new ATOM 0 HD2 LYS A 27 -11.172 -11.441 -7.203 1.00 33.22 H new ATOM 0 HD3 LYS A 27 -10.483 -10.109 -6.295 1.00 33.22 H new ATOM 0 HE2 LYS A 27 -11.971 -8.811 -7.411 1.00 23.44 H new ATOM 0 HE3 LYS A 27 -10.855 -8.928 -8.757 1.00 23.44 H new ATOM 0 HZ1 LYS A 27 -13.096 -9.506 -9.423 1.00 73.45 H new ATOM 0 HZ2 LYS A 27 -12.080 -10.859 -9.569 1.00 73.45 H new ATOM 0 HZ3 LYS A 27 -13.161 -10.746 -8.264 1.00 73.45 H new ATOM 418 N GLN A 28 -5.127 -9.594 -6.666 1.00 20.23 N ATOM 419 CA GLN A 28 -4.065 -9.032 -5.839 1.00 4.42 C ATOM 420 C GLN A 28 -4.154 -7.510 -5.800 1.00 54.22 C ATOM 421 O GLN A 28 -5.122 -6.922 -6.283 1.00 25.41 O ATOM 422 CB GLN A 28 -2.696 -9.461 -6.370 1.00 40.01 C ATOM 423 CG GLN A 28 -2.201 -8.614 -7.531 1.00 20.13 C ATOM 424 CD GLN A 28 -3.310 -8.239 -8.495 1.00 33.32 C ATOM 425 OE1 GLN A 28 -3.705 -7.076 -8.581 1.00 72.20 O ATOM 426 NE2 GLN A 28 -3.818 -9.225 -9.224 1.00 40.15 N ATOM 0 H GLN A 28 -5.294 -9.092 -7.538 1.00 20.23 H new ATOM 0 HA GLN A 28 -4.189 -9.411 -4.825 1.00 4.42 H new ATOM 0 HB2 GLN A 28 -1.969 -9.411 -5.559 1.00 40.01 H new ATOM 0 HB3 GLN A 28 -2.749 -10.502 -6.687 1.00 40.01 H new ATOM 0 HG2 GLN A 28 -1.740 -7.706 -7.143 1.00 20.13 H new ATOM 0 HG3 GLN A 28 -1.426 -9.160 -8.069 1.00 20.13 H new ATOM 0 HE21 GLN A 28 -3.459 -10.174 -9.119 1.00 40.15 H new ATOM 0 HE22 GLN A 28 -4.567 -9.034 -9.889 1.00 40.15 H new ATOM 435 N TYR A 29 -3.140 -6.878 -5.220 1.00 44.14 N ATOM 436 CA TYR A 29 -3.104 -5.424 -5.115 1.00 73.52 C ATOM 437 C TYR A 29 -2.329 -4.812 -6.278 1.00 70.22 C ATOM 438 O TYR A 29 -1.419 -5.433 -6.828 1.00 45.54 O ATOM 439 CB TYR A 29 -2.471 -5.003 -3.788 1.00 32.21 C ATOM 440 CG TYR A 29 -3.419 -5.088 -2.612 1.00 2.22 C ATOM 441 CD1 TYR A 29 -4.257 -4.027 -2.293 1.00 15.35 C ATOM 442 CD2 TYR A 29 -3.474 -6.228 -1.820 1.00 2.02 C ATOM 443 CE1 TYR A 29 -5.123 -4.100 -1.220 1.00 10.14 C ATOM 444 CE2 TYR A 29 -4.337 -6.310 -0.746 1.00 0.33 C ATOM 445 CZ TYR A 29 -5.160 -5.243 -0.448 1.00 60.44 C ATOM 446 OH TYR A 29 -6.022 -5.321 0.622 1.00 43.34 O ATOM 0 H TYR A 29 -2.331 -7.350 -4.815 1.00 44.14 H new ATOM 0 HA TYR A 29 -4.130 -5.057 -5.153 1.00 73.52 H new ATOM 0 HB2 TYR A 29 -1.604 -5.634 -3.592 1.00 32.21 H new ATOM 0 HB3 TYR A 29 -2.106 -3.980 -3.877 1.00 32.21 H new ATOM 0 HD1 TYR A 29 -4.231 -3.130 -2.894 1.00 15.35 H new ATOM 0 HD2 TYR A 29 -2.830 -7.065 -2.049 1.00 2.02 H new ATOM 0 HE1 TYR A 29 -5.768 -3.266 -0.986 1.00 10.14 H new ATOM 0 HE2 TYR A 29 -4.368 -7.205 -0.142 1.00 0.33 H new ATOM 0 HH TYR A 29 -6.252 -6.259 0.789 1.00 43.34 H new ATOM 456 N LYS A 30 -2.696 -3.589 -6.647 1.00 60.21 N ATOM 457 CA LYS A 30 -2.035 -2.889 -7.743 1.00 23.42 C ATOM 458 C LYS A 30 -1.872 -1.408 -7.421 1.00 43.02 C ATOM 459 O LYS A 30 -2.431 -0.908 -6.444 1.00 53.03 O ATOM 460 CB LYS A 30 -2.834 -3.057 -9.037 1.00 32.43 C ATOM 461 CG LYS A 30 -2.158 -3.958 -10.056 1.00 51.34 C ATOM 462 CD LYS A 30 -2.612 -3.637 -11.471 1.00 71.32 C ATOM 463 CE LYS A 30 -3.704 -4.589 -11.934 1.00 73.11 C ATOM 464 NZ LYS A 30 -3.612 -4.873 -13.393 1.00 43.31 N ATOM 0 H LYS A 30 -3.448 -3.062 -6.203 1.00 60.21 H new ATOM 0 HA LYS A 30 -1.045 -3.325 -7.876 1.00 23.42 H new ATOM 0 HB2 LYS A 30 -3.816 -3.466 -8.798 1.00 32.43 H new ATOM 0 HB3 LYS A 30 -2.997 -2.076 -9.483 1.00 32.43 H new ATOM 0 HG2 LYS A 30 -1.076 -3.842 -9.985 1.00 51.34 H new ATOM 0 HG3 LYS A 30 -2.383 -5.000 -9.828 1.00 51.34 H new ATOM 0 HD2 LYS A 30 -2.980 -2.612 -11.513 1.00 71.32 H new ATOM 0 HD3 LYS A 30 -1.762 -3.699 -12.150 1.00 71.32 H new ATOM 0 HE2 LYS A 30 -3.631 -5.523 -11.377 1.00 73.11 H new ATOM 0 HE3 LYS A 30 -4.680 -4.159 -11.709 1.00 73.11 H new ATOM 0 HZ1 LYS A 30 -4.374 -5.525 -13.668 1.00 43.31 H new ATOM 0 HZ2 LYS A 30 -3.707 -3.985 -13.926 1.00 43.31 H new ATOM 0 HZ3 LYS A 30 -2.691 -5.307 -13.605 1.00 43.31 H new ATOM 478 N LEU A 31 -1.104 -0.709 -8.250 1.00 22.02 N ATOM 479 CA LEU A 31 -0.868 0.718 -8.055 1.00 12.21 C ATOM 480 C LEU A 31 -2.180 1.459 -7.821 1.00 43.12 C ATOM 481 O LEU A 31 -2.233 2.426 -7.059 1.00 71.53 O ATOM 482 CB LEU A 31 -0.145 1.306 -9.269 1.00 13.01 C ATOM 483 CG LEU A 31 1.221 0.701 -9.595 1.00 10.12 C ATOM 484 CD1 LEU A 31 1.701 1.171 -10.959 1.00 14.40 C ATOM 485 CD2 LEU A 31 2.233 1.061 -8.517 1.00 62.03 C ATOM 0 H LEU A 31 -0.634 -1.107 -9.063 1.00 22.02 H new ATOM 0 HA LEU A 31 -0.241 0.841 -7.172 1.00 12.21 H new ATOM 0 HB2 LEU A 31 -0.789 1.190 -10.141 1.00 13.01 H new ATOM 0 HB3 LEU A 31 -0.017 2.376 -9.107 1.00 13.01 H new ATOM 0 HG LEU A 31 1.120 -0.384 -9.623 1.00 10.12 H new ATOM 0 HD11 LEU A 31 2.675 0.730 -11.174 1.00 14.40 H new ATOM 0 HD12 LEU A 31 0.987 0.863 -11.722 1.00 14.40 H new ATOM 0 HD13 LEU A 31 1.786 2.258 -10.960 1.00 14.40 H new ATOM 0 HD21 LEU A 31 3.200 0.623 -8.764 1.00 62.03 H new ATOM 0 HD22 LEU A 31 2.331 2.145 -8.457 1.00 62.03 H new ATOM 0 HD23 LEU A 31 1.894 0.674 -7.556 1.00 62.03 H new ATOM 497 N LYS A 32 -3.239 1.001 -8.480 1.00 61.41 N ATOM 498 CA LYS A 32 -4.552 1.616 -8.343 1.00 14.32 C ATOM 499 C LYS A 32 -4.858 1.928 -6.881 1.00 24.03 C ATOM 500 O LYS A 32 -5.425 2.973 -6.563 1.00 11.21 O ATOM 501 CB LYS A 32 -5.633 0.696 -8.915 1.00 12.23 C ATOM 502 CG LYS A 32 -6.065 1.067 -10.323 1.00 13.43 C ATOM 503 CD LYS A 32 -7.571 1.245 -10.415 1.00 73.13 C ATOM 504 CE LYS A 32 -7.982 1.827 -11.759 1.00 13.24 C ATOM 505 NZ LYS A 32 -8.529 0.785 -12.672 1.00 13.23 N ATOM 0 H LYS A 32 -3.212 0.204 -9.116 1.00 61.41 H new ATOM 0 HA LYS A 32 -4.546 2.551 -8.903 1.00 14.32 H new ATOM 0 HB2 LYS A 32 -5.263 -0.329 -8.916 1.00 12.23 H new ATOM 0 HB3 LYS A 32 -6.503 0.720 -8.259 1.00 12.23 H new ATOM 0 HG2 LYS A 32 -5.569 1.990 -10.625 1.00 13.43 H new ATOM 0 HG3 LYS A 32 -5.746 0.291 -11.019 1.00 13.43 H new ATOM 0 HD2 LYS A 32 -8.062 0.283 -10.268 1.00 73.13 H new ATOM 0 HD3 LYS A 32 -7.911 1.901 -9.614 1.00 73.13 H new ATOM 0 HE2 LYS A 32 -8.731 2.604 -11.604 1.00 13.24 H new ATOM 0 HE3 LYS A 32 -7.121 2.304 -12.227 1.00 13.24 H new ATOM 0 HZ1 LYS A 32 -8.797 1.222 -13.577 1.00 13.23 H new ATOM 0 HZ2 LYS A 32 -7.806 0.057 -12.840 1.00 13.23 H new ATOM 0 HZ3 LYS A 32 -9.366 0.347 -12.237 1.00 13.23 H new ATOM 519 N HIS A 33 -4.475 1.015 -5.994 1.00 33.54 N ATOM 520 CA HIS A 33 -4.705 1.192 -4.564 1.00 54.13 C ATOM 521 C HIS A 33 -3.695 2.170 -3.970 1.00 33.24 C ATOM 522 O HIS A 33 -4.131 3.048 -3.224 1.00 1.33 O ATOM 523 CB HIS A 33 -4.618 -0.152 -3.840 1.00 10.40 C ATOM 524 CG HIS A 33 -5.459 -1.224 -4.465 1.00 11.33 C ATOM 525 ND1 HIS A 33 -4.925 -2.314 -5.118 1.00 64.01 N ATOM 526 CD2 HIS A 33 -6.803 -1.368 -4.531 1.00 23.44 C ATOM 527 CE1 HIS A 33 -5.904 -3.082 -5.561 1.00 33.23 C ATOM 528 NE2 HIS A 33 -7.054 -2.531 -5.216 1.00 14.02 N ATOM 0 H HIS A 33 -4.004 0.145 -6.240 1.00 33.54 H new ATOM 0 HA HIS A 33 -5.706 1.603 -4.430 1.00 54.13 H new ATOM 0 HB2 HIS A 33 -3.579 -0.480 -3.824 1.00 10.40 H new ATOM 0 HB3 HIS A 33 -4.926 -0.018 -2.803 1.00 10.40 H new ATOM 0 HD2 HIS A 33 -7.541 -0.694 -4.121 1.00 23.44 H new ATOM 0 HE1 HIS A 33 -5.785 -4.003 -6.112 1.00 33.23 H new ATOM 0 HE2 HIS A 33 -7.978 -2.908 -5.425 1.00 14.02 H new ATOM 536 N ILE A 34 -2.407 2.045 -4.267 1.00 51.24 N ATOM 537 CA ILE A 34 -1.406 2.956 -3.725 1.00 14.05 C ATOM 538 C ILE A 34 -1.805 4.409 -3.953 1.00 5.51 C ATOM 539 O ILE A 34 -1.475 5.288 -3.156 1.00 31.32 O ATOM 540 CB ILE A 34 -0.021 2.709 -4.351 1.00 53.31 C ATOM 541 CG1 ILE A 34 0.538 1.363 -3.891 1.00 64.41 C ATOM 542 CG2 ILE A 34 0.933 3.838 -3.988 1.00 74.21 C ATOM 543 CD1 ILE A 34 1.214 0.579 -4.996 1.00 53.54 C ATOM 0 H ILE A 34 -2.031 1.322 -4.880 1.00 51.24 H new ATOM 0 HA ILE A 34 -1.349 2.762 -2.654 1.00 14.05 H new ATOM 0 HB ILE A 34 -0.128 2.684 -5.435 1.00 53.31 H new ATOM 0 HG12 ILE A 34 1.254 1.532 -3.086 1.00 64.41 H new ATOM 0 HG13 ILE A 34 -0.273 0.765 -3.476 1.00 64.41 H new ATOM 0 HG21 ILE A 34 1.908 3.649 -4.438 1.00 74.21 H new ATOM 0 HG22 ILE A 34 0.538 4.783 -4.362 1.00 74.21 H new ATOM 0 HG23 ILE A 34 1.038 3.892 -2.904 1.00 74.21 H new ATOM 0 HD11 ILE A 34 1.586 -0.365 -4.597 1.00 53.54 H new ATOM 0 HD12 ILE A 34 0.496 0.379 -5.792 1.00 53.54 H new ATOM 0 HD13 ILE A 34 2.047 1.158 -5.396 1.00 53.54 H new ATOM 555 N VAL A 35 -2.518 4.657 -5.047 1.00 34.14 N ATOM 556 CA VAL A 35 -2.965 6.005 -5.379 1.00 60.11 C ATOM 557 C VAL A 35 -4.248 6.357 -4.636 1.00 12.41 C ATOM 558 O VAL A 35 -4.360 7.432 -4.046 1.00 43.22 O ATOM 559 CB VAL A 35 -3.202 6.159 -6.894 1.00 14.23 C ATOM 560 CG1 VAL A 35 -3.845 7.504 -7.199 1.00 73.12 C ATOM 561 CG2 VAL A 35 -1.897 5.997 -7.657 1.00 1.01 C ATOM 0 H VAL A 35 -2.799 3.942 -5.718 1.00 34.14 H new ATOM 0 HA VAL A 35 -2.173 6.687 -5.071 1.00 60.11 H new ATOM 0 HB VAL A 35 -3.885 5.374 -7.219 1.00 14.23 H new ATOM 0 HG11 VAL A 35 -4.005 7.596 -8.273 1.00 73.12 H new ATOM 0 HG12 VAL A 35 -4.802 7.575 -6.682 1.00 73.12 H new ATOM 0 HG13 VAL A 35 -3.189 8.306 -6.860 1.00 73.12 H new ATOM 0 HG21 VAL A 35 -2.084 6.109 -8.725 1.00 1.01 H new ATOM 0 HG22 VAL A 35 -1.188 6.758 -7.331 1.00 1.01 H new ATOM 0 HG23 VAL A 35 -1.482 5.008 -7.463 1.00 1.01 H new ATOM 571 N TRP A 36 -5.213 5.446 -4.668 1.00 54.14 N ATOM 572 CA TRP A 36 -6.490 5.660 -3.996 1.00 12.44 C ATOM 573 C TRP A 36 -6.288 5.879 -2.501 1.00 42.10 C ATOM 574 O TRP A 36 -6.925 6.743 -1.899 1.00 52.11 O ATOM 575 CB TRP A 36 -7.419 4.468 -4.229 1.00 1.33 C ATOM 576 CG TRP A 36 -8.737 4.597 -3.527 1.00 31.33 C ATOM 577 CD1 TRP A 36 -9.839 5.271 -3.969 1.00 74.13 C ATOM 578 CD2 TRP A 36 -9.090 4.037 -2.257 1.00 40.24 C ATOM 579 NE1 TRP A 36 -10.856 5.164 -3.051 1.00 63.14 N ATOM 580 CE2 TRP A 36 -10.421 4.412 -1.992 1.00 10.13 C ATOM 581 CE3 TRP A 36 -8.410 3.255 -1.319 1.00 73.13 C ATOM 582 CZ2 TRP A 36 -11.084 4.032 -0.828 1.00 21.51 C ATOM 583 CZ3 TRP A 36 -9.070 2.879 -0.164 1.00 63.24 C ATOM 584 CH2 TRP A 36 -10.395 3.265 0.073 1.00 52.44 C ATOM 0 H TRP A 36 -5.136 4.552 -5.152 1.00 54.14 H new ATOM 0 HA TRP A 36 -6.948 6.555 -4.417 1.00 12.44 H new ATOM 0 HB2 TRP A 36 -7.595 4.357 -5.299 1.00 1.33 H new ATOM 0 HB3 TRP A 36 -6.923 3.558 -3.891 1.00 1.33 H new ATOM 0 HD1 TRP A 36 -9.902 5.809 -4.903 1.00 74.13 H new ATOM 0 HE1 TRP A 36 -11.784 5.577 -3.143 1.00 63.14 H new ATOM 0 HE3 TRP A 36 -7.389 2.950 -1.493 1.00 73.13 H new ATOM 0 HZ2 TRP A 36 -12.105 4.331 -0.643 1.00 21.51 H new ATOM 0 HZ3 TRP A 36 -8.554 2.276 0.569 1.00 63.24 H new ATOM 0 HH2 TRP A 36 -10.883 2.952 0.984 1.00 52.44 H new ATOM 595 N ALA A 37 -5.398 5.091 -1.907 1.00 43.03 N ATOM 596 CA ALA A 37 -5.111 5.201 -0.482 1.00 22.35 C ATOM 597 C ALA A 37 -4.353 6.487 -0.172 1.00 62.21 C ATOM 598 O ALA A 37 -4.793 7.297 0.643 1.00 42.12 O ATOM 599 CB ALA A 37 -4.319 3.991 -0.009 1.00 21.14 C ATOM 0 H ALA A 37 -4.863 4.369 -2.391 1.00 43.03 H new ATOM 0 HA ALA A 37 -6.060 5.232 0.054 1.00 22.35 H new ATOM 0 HB1 ALA A 37 -4.111 4.086 1.057 1.00 21.14 H new ATOM 0 HB2 ALA A 37 -4.898 3.085 -0.187 1.00 21.14 H new ATOM 0 HB3 ALA A 37 -3.379 3.934 -0.558 1.00 21.14 H new ATOM 605 N SER A 38 -3.209 6.667 -0.826 1.00 75.11 N ATOM 606 CA SER A 38 -2.388 7.853 -0.617 1.00 20.43 C ATOM 607 C SER A 38 -3.218 9.124 -0.771 1.00 21.51 C ATOM 608 O SER A 38 -2.951 10.135 -0.122 1.00 52.12 O ATOM 609 CB SER A 38 -1.219 7.870 -1.604 1.00 3.02 C ATOM 610 OG SER A 38 -0.309 6.817 -1.336 1.00 4.53 O ATOM 0 H SER A 38 -2.831 6.006 -1.505 1.00 75.11 H new ATOM 0 HA SER A 38 -1.996 7.818 0.399 1.00 20.43 H new ATOM 0 HB2 SER A 38 -1.597 7.777 -2.622 1.00 3.02 H new ATOM 0 HB3 SER A 38 -0.701 8.827 -1.542 1.00 3.02 H new ATOM 0 HG SER A 38 -0.517 6.051 -1.911 1.00 4.53 H new ATOM 616 N ARG A 39 -4.225 9.063 -1.636 1.00 54.30 N ATOM 617 CA ARG A 39 -5.095 10.209 -1.878 1.00 24.24 C ATOM 618 C ARG A 39 -6.222 10.261 -0.852 1.00 31.33 C ATOM 619 O ARG A 39 -6.536 11.323 -0.315 1.00 12.15 O ATOM 620 CB ARG A 39 -5.678 10.144 -3.290 1.00 74.41 C ATOM 621 CG ARG A 39 -4.707 10.590 -4.371 1.00 73.31 C ATOM 622 CD ARG A 39 -5.331 10.492 -5.755 1.00 10.10 C ATOM 623 NE ARG A 39 -4.449 11.023 -6.791 1.00 33.22 N ATOM 624 CZ ARG A 39 -4.849 11.292 -8.029 1.00 14.11 C ATOM 625 NH1 ARG A 39 -6.110 11.084 -8.382 1.00 32.33 N ATOM 626 NH2 ARG A 39 -3.987 11.773 -8.916 1.00 15.43 N ATOM 0 H ARG A 39 -4.459 8.233 -2.181 1.00 54.30 H new ATOM 0 HA ARG A 39 -4.497 11.115 -1.781 1.00 24.24 H new ATOM 0 HB2 ARG A 39 -5.994 9.122 -3.497 1.00 74.41 H new ATOM 0 HB3 ARG A 39 -6.570 10.769 -3.335 1.00 74.41 H new ATOM 0 HG2 ARG A 39 -4.398 11.618 -4.182 1.00 73.31 H new ATOM 0 HG3 ARG A 39 -3.809 9.974 -4.331 1.00 73.31 H new ATOM 0 HD2 ARG A 39 -5.563 9.450 -5.975 1.00 10.10 H new ATOM 0 HD3 ARG A 39 -6.274 11.038 -5.767 1.00 10.10 H new ATOM 0 HE ARG A 39 -3.473 11.197 -6.551 1.00 33.22 H new ATOM 0 HH11 ARG A 39 -6.776 10.717 -7.702 1.00 32.33 H new ATOM 0 HH12 ARG A 39 -6.414 11.291 -9.333 1.00 32.33 H new ATOM 0 HH21 ARG A 39 -3.017 11.936 -8.647 1.00 15.43 H new ATOM 0 HH22 ARG A 39 -4.295 11.979 -9.866 1.00 15.43 H new ATOM 640 N GLU A 40 -6.828 9.108 -0.585 1.00 22.33 N ATOM 641 CA GLU A 40 -7.922 9.024 0.375 1.00 24.22 C ATOM 642 C GLU A 40 -7.516 9.628 1.717 1.00 44.02 C ATOM 643 O GLU A 40 -8.254 10.420 2.303 1.00 34.23 O ATOM 644 CB GLU A 40 -8.350 7.567 0.568 1.00 10.14 C ATOM 645 CG GLU A 40 -9.613 7.409 1.397 1.00 14.01 C ATOM 646 CD GLU A 40 -10.682 8.420 1.031 1.00 44.35 C ATOM 647 OE1 GLU A 40 -10.861 8.683 -0.177 1.00 51.35 O ATOM 648 OE2 GLU A 40 -11.339 8.949 1.952 1.00 73.42 O ATOM 0 H GLU A 40 -6.580 8.220 -1.020 1.00 22.33 H new ATOM 0 HA GLU A 40 -8.763 9.593 -0.021 1.00 24.22 H new ATOM 0 HB2 GLU A 40 -8.507 7.111 -0.409 1.00 10.14 H new ATOM 0 HB3 GLU A 40 -7.539 7.019 1.048 1.00 10.14 H new ATOM 0 HG2 GLU A 40 -10.009 6.402 1.261 1.00 14.01 H new ATOM 0 HG3 GLU A 40 -9.365 7.514 2.453 1.00 14.01 H new ATOM 655 N LEU A 41 -6.336 9.248 2.197 1.00 42.21 N ATOM 656 CA LEU A 41 -5.830 9.751 3.469 1.00 30.01 C ATOM 657 C LEU A 41 -5.902 11.274 3.520 1.00 54.40 C ATOM 658 O LEU A 41 -6.239 11.855 4.551 1.00 24.24 O ATOM 659 CB LEU A 41 -4.388 9.290 3.686 1.00 43.24 C ATOM 660 CG LEU A 41 -4.207 7.838 4.130 1.00 50.15 C ATOM 661 CD1 LEU A 41 -2.730 7.484 4.208 1.00 14.42 C ATOM 662 CD2 LEU A 41 -4.886 7.602 5.471 1.00 60.14 C ATOM 0 H LEU A 41 -5.713 8.594 1.724 1.00 42.21 H new ATOM 0 HA LEU A 41 -6.457 9.349 4.265 1.00 30.01 H new ATOM 0 HB2 LEU A 41 -3.837 9.436 2.757 1.00 43.24 H new ATOM 0 HB3 LEU A 41 -3.929 9.937 4.433 1.00 43.24 H new ATOM 0 HG LEU A 41 -4.676 7.190 3.389 1.00 50.15 H new ATOM 0 HD11 LEU A 41 -2.621 6.447 4.526 1.00 14.42 H new ATOM 0 HD12 LEU A 41 -2.273 7.613 3.227 1.00 14.42 H new ATOM 0 HD13 LEU A 41 -2.237 8.138 4.927 1.00 14.42 H new ATOM 0 HD21 LEU A 41 -4.747 6.563 5.771 1.00 60.14 H new ATOM 0 HD22 LEU A 41 -4.447 8.259 6.222 1.00 60.14 H new ATOM 0 HD23 LEU A 41 -5.951 7.814 5.382 1.00 60.14 H new ATOM 674 N GLU A 42 -5.586 11.914 2.398 1.00 35.13 N ATOM 675 CA GLU A 42 -5.617 13.370 2.316 1.00 74.12 C ATOM 676 C GLU A 42 -7.002 13.905 2.669 1.00 42.12 C ATOM 677 O GLU A 42 -7.142 15.039 3.130 1.00 64.12 O ATOM 678 CB GLU A 42 -5.221 13.832 0.912 1.00 32.21 C ATOM 679 CG GLU A 42 -4.981 15.329 0.809 1.00 63.31 C ATOM 680 CD GLU A 42 -4.137 15.702 -0.395 1.00 33.35 C ATOM 681 OE1 GLU A 42 -4.365 15.128 -1.479 1.00 74.32 O ATOM 682 OE2 GLU A 42 -3.249 16.568 -0.251 1.00 43.32 O ATOM 0 H GLU A 42 -5.306 11.448 1.535 1.00 35.13 H new ATOM 0 HA GLU A 42 -4.900 13.765 3.036 1.00 74.12 H new ATOM 0 HB2 GLU A 42 -4.316 13.306 0.607 1.00 32.21 H new ATOM 0 HB3 GLU A 42 -6.006 13.549 0.211 1.00 32.21 H new ATOM 0 HG2 GLU A 42 -5.940 15.844 0.750 1.00 63.31 H new ATOM 0 HG3 GLU A 42 -4.488 15.678 1.716 1.00 63.31 H new ATOM 689 N ARG A 43 -8.022 13.083 2.447 1.00 23.33 N ATOM 690 CA ARG A 43 -9.396 13.474 2.738 1.00 24.43 C ATOM 691 C ARG A 43 -9.755 13.159 4.188 1.00 3.12 C ATOM 692 O ARG A 43 -10.656 13.771 4.762 1.00 22.42 O ATOM 693 CB ARG A 43 -10.364 12.757 1.795 1.00 42.12 C ATOM 694 CG ARG A 43 -10.418 13.364 0.403 1.00 51.14 C ATOM 695 CD ARG A 43 -11.322 12.562 -0.520 1.00 14.12 C ATOM 696 NE ARG A 43 -12.720 12.969 -0.406 1.00 24.23 N ATOM 697 CZ ARG A 43 -13.682 12.527 -1.209 1.00 41.22 C ATOM 698 NH1 ARG A 43 -13.397 11.669 -2.179 1.00 74.11 N ATOM 699 NH2 ARG A 43 -14.930 12.944 -1.042 1.00 72.01 N ATOM 0 H ARG A 43 -7.923 12.142 2.066 1.00 23.33 H new ATOM 0 HA ARG A 43 -9.481 14.550 2.585 1.00 24.43 H new ATOM 0 HB2 ARG A 43 -10.072 11.710 1.715 1.00 42.12 H new ATOM 0 HB3 ARG A 43 -11.363 12.776 2.230 1.00 42.12 H new ATOM 0 HG2 ARG A 43 -10.779 14.390 0.466 1.00 51.14 H new ATOM 0 HG3 ARG A 43 -9.413 13.405 -0.016 1.00 51.14 H new ATOM 0 HD2 ARG A 43 -10.991 12.688 -1.551 1.00 14.12 H new ATOM 0 HD3 ARG A 43 -11.233 11.502 -0.283 1.00 14.12 H new ATOM 0 HE ARG A 43 -12.972 13.629 0.330 1.00 24.23 H new ATOM 0 HH11 ARG A 43 -12.438 11.347 -2.310 1.00 74.11 H new ATOM 0 HH12 ARG A 43 -14.137 11.331 -2.794 1.00 74.11 H new ATOM 0 HH21 ARG A 43 -15.152 13.604 -0.297 1.00 72.01 H new ATOM 0 HH22 ARG A 43 -15.668 12.604 -1.659 1.00 72.01 H new ATOM 713 N PHE A 44 -9.045 12.200 4.774 1.00 45.55 N ATOM 714 CA PHE A 44 -9.289 11.803 6.154 1.00 23.44 C ATOM 715 C PHE A 44 -8.384 12.574 7.111 1.00 43.42 C ATOM 716 O PHE A 44 -7.946 12.044 8.131 1.00 15.44 O ATOM 717 CB PHE A 44 -9.063 10.299 6.322 1.00 23.23 C ATOM 718 CG PHE A 44 -10.190 9.460 5.793 1.00 52.35 C ATOM 719 CD1 PHE A 44 -11.504 9.757 6.116 1.00 31.11 C ATOM 720 CD2 PHE A 44 -9.936 8.373 4.970 1.00 11.40 C ATOM 721 CE1 PHE A 44 -12.544 8.987 5.630 1.00 12.43 C ATOM 722 CE2 PHE A 44 -10.972 7.601 4.481 1.00 11.32 C ATOM 723 CZ PHE A 44 -12.277 7.908 4.812 1.00 32.52 C ATOM 0 H PHE A 44 -8.296 11.684 4.313 1.00 45.55 H new ATOM 0 HA PHE A 44 -10.326 12.037 6.394 1.00 23.44 H new ATOM 0 HB2 PHE A 44 -8.142 10.019 5.811 1.00 23.23 H new ATOM 0 HB3 PHE A 44 -8.921 10.077 7.380 1.00 23.23 H new ATOM 0 HD1 PHE A 44 -11.718 10.601 6.755 1.00 31.11 H new ATOM 0 HD2 PHE A 44 -8.917 8.127 4.709 1.00 11.40 H new ATOM 0 HE1 PHE A 44 -13.564 9.229 5.890 1.00 12.43 H new ATOM 0 HE2 PHE A 44 -10.761 6.758 3.840 1.00 11.32 H new ATOM 0 HZ PHE A 44 -13.088 7.304 4.431 1.00 32.52 H new ATOM 733 N ALA A 45 -8.109 13.830 6.771 1.00 24.35 N ATOM 734 CA ALA A 45 -7.257 14.675 7.599 1.00 14.32 C ATOM 735 C ALA A 45 -5.964 13.958 7.970 1.00 64.44 C ATOM 736 O ALA A 45 -5.321 14.290 8.966 1.00 73.05 O ATOM 737 CB ALA A 45 -8.002 15.105 8.854 1.00 0.45 C ATOM 0 H ALA A 45 -8.464 14.284 5.929 1.00 24.35 H new ATOM 0 HA ALA A 45 -6.996 15.562 7.021 1.00 14.32 H new ATOM 0 HB1 ALA A 45 -7.355 15.735 9.463 1.00 0.45 H new ATOM 0 HB2 ALA A 45 -8.894 15.665 8.574 1.00 0.45 H new ATOM 0 HB3 ALA A 45 -8.292 14.223 9.425 1.00 0.45 H new ATOM 743 N VAL A 46 -5.588 12.971 7.162 1.00 22.11 N ATOM 744 CA VAL A 46 -4.370 12.206 7.405 1.00 14.11 C ATOM 745 C VAL A 46 -3.389 12.353 6.247 1.00 34.03 C ATOM 746 O VAL A 46 -3.732 12.097 5.094 1.00 70.22 O ATOM 747 CB VAL A 46 -4.679 10.712 7.616 1.00 74.44 C ATOM 748 CG1 VAL A 46 -3.392 9.921 7.790 1.00 34.52 C ATOM 749 CG2 VAL A 46 -5.598 10.521 8.813 1.00 42.45 C ATOM 0 H VAL A 46 -6.109 12.683 6.334 1.00 22.11 H new ATOM 0 HA VAL A 46 -3.919 12.608 8.312 1.00 14.11 H new ATOM 0 HB VAL A 46 -5.192 10.336 6.731 1.00 74.44 H new ATOM 0 HG11 VAL A 46 -3.630 8.868 7.938 1.00 34.52 H new ATOM 0 HG12 VAL A 46 -2.774 10.032 6.899 1.00 34.52 H new ATOM 0 HG13 VAL A 46 -2.849 10.296 8.658 1.00 34.52 H new ATOM 0 HG21 VAL A 46 -5.805 9.459 8.947 1.00 42.45 H new ATOM 0 HG22 VAL A 46 -5.115 10.912 9.709 1.00 42.45 H new ATOM 0 HG23 VAL A 46 -6.533 11.055 8.643 1.00 42.45 H new ATOM 759 N ASN A 47 -2.167 12.767 6.564 1.00 0.03 N ATOM 760 CA ASN A 47 -1.134 12.948 5.551 1.00 74.43 C ATOM 761 C ASN A 47 -0.673 11.602 4.997 1.00 41.30 C ATOM 762 O ASN A 47 -0.525 10.622 5.726 1.00 71.24 O ATOM 763 CB ASN A 47 0.058 13.706 6.137 1.00 53.43 C ATOM 764 CG ASN A 47 0.216 15.089 5.534 1.00 61.41 C ATOM 765 OD1 ASN A 47 -0.591 15.984 5.784 1.00 31.51 O ATOM 766 ND2 ASN A 47 1.261 15.269 4.734 1.00 13.42 N ATOM 0 H ASN A 47 -1.868 12.984 7.515 1.00 0.03 H new ATOM 0 HA ASN A 47 -1.560 13.531 4.734 1.00 74.43 H new ATOM 0 HB2 ASN A 47 -0.066 13.795 7.216 1.00 53.43 H new ATOM 0 HB3 ASN A 47 0.969 13.132 5.967 1.00 53.43 H new ATOM 0 HD21 ASN A 47 1.420 16.178 4.299 1.00 13.42 H new ATOM 0 HD22 ASN A 47 1.905 14.498 4.555 1.00 13.42 H new ATOM 773 N PRO A 48 -0.440 11.554 3.677 1.00 53.43 N ATOM 774 CA PRO A 48 0.009 10.336 2.997 1.00 51.24 C ATOM 775 C PRO A 48 1.441 9.962 3.363 1.00 53.20 C ATOM 776 O PRO A 48 1.949 8.923 2.941 1.00 42.43 O ATOM 777 CB PRO A 48 -0.086 10.703 1.513 1.00 21.41 C ATOM 778 CG PRO A 48 0.043 12.186 1.481 1.00 3.33 C ATOM 779 CD PRO A 48 -0.595 12.686 2.747 1.00 35.21 C ATOM 0 HA PRO A 48 -0.590 9.469 3.275 1.00 51.24 H new ATOM 0 HB2 PRO A 48 0.705 10.224 0.935 1.00 21.41 H new ATOM 0 HB3 PRO A 48 -1.035 10.379 1.085 1.00 21.41 H new ATOM 0 HG2 PRO A 48 1.090 12.485 1.427 1.00 3.33 H new ATOM 0 HG3 PRO A 48 -0.453 12.602 0.604 1.00 3.33 H new ATOM 0 HD2 PRO A 48 -0.100 13.583 3.119 1.00 35.21 H new ATOM 0 HD3 PRO A 48 -1.644 12.941 2.595 1.00 35.21 H new ATOM 787 N GLY A 49 2.088 10.815 4.151 1.00 2.04 N ATOM 788 CA GLY A 49 3.456 10.555 4.561 1.00 53.12 C ATOM 789 C GLY A 49 3.554 9.431 5.574 1.00 44.35 C ATOM 790 O GLY A 49 4.652 9.004 5.932 1.00 25.34 O ATOM 0 H GLY A 49 1.690 11.681 4.513 1.00 2.04 H new ATOM 0 HA2 GLY A 49 4.053 10.303 3.685 1.00 53.12 H new ATOM 0 HA3 GLY A 49 3.883 11.463 4.988 1.00 53.12 H new ATOM 794 N LEU A 50 2.405 8.953 6.037 1.00 31.24 N ATOM 795 CA LEU A 50 2.366 7.873 7.017 1.00 45.12 C ATOM 796 C LEU A 50 2.555 6.518 6.342 1.00 74.01 C ATOM 797 O LEU A 50 2.535 5.477 6.999 1.00 41.02 O ATOM 798 CB LEU A 50 1.040 7.895 7.778 1.00 53.43 C ATOM 799 CG LEU A 50 0.756 9.157 8.596 1.00 23.30 C ATOM 800 CD1 LEU A 50 -0.640 9.102 9.196 1.00 71.31 C ATOM 801 CD2 LEU A 50 1.802 9.331 9.688 1.00 73.54 C ATOM 0 H LEU A 50 1.488 9.296 5.750 1.00 31.24 H new ATOM 0 HA LEU A 50 3.184 8.025 7.721 1.00 45.12 H new ATOM 0 HB2 LEU A 50 0.230 7.761 7.061 1.00 53.43 H new ATOM 0 HB3 LEU A 50 1.016 7.037 8.450 1.00 53.43 H new ATOM 0 HG LEU A 50 0.808 10.018 7.930 1.00 23.30 H new ATOM 0 HD11 LEU A 50 -0.824 10.008 9.774 1.00 71.31 H new ATOM 0 HD12 LEU A 50 -1.377 9.026 8.396 1.00 71.31 H new ATOM 0 HD13 LEU A 50 -0.722 8.233 9.848 1.00 71.31 H new ATOM 0 HD21 LEU A 50 1.585 10.233 10.260 1.00 73.54 H new ATOM 0 HD22 LEU A 50 1.782 8.467 10.352 1.00 73.54 H new ATOM 0 HD23 LEU A 50 2.790 9.418 9.235 1.00 73.54 H new ATOM 813 N LEU A 51 2.739 6.539 5.026 1.00 12.20 N ATOM 814 CA LEU A 51 2.933 5.313 4.261 1.00 24.31 C ATOM 815 C LEU A 51 4.412 4.943 4.192 1.00 63.14 C ATOM 816 O LEU A 51 4.764 3.819 3.836 1.00 12.34 O ATOM 817 CB LEU A 51 2.370 5.474 2.849 1.00 74.34 C ATOM 818 CG LEU A 51 0.862 5.715 2.751 1.00 24.04 C ATOM 819 CD1 LEU A 51 0.501 6.286 1.389 1.00 71.23 C ATOM 820 CD2 LEU A 51 0.099 4.425 3.012 1.00 51.20 C ATOM 0 H LEU A 51 2.758 7.392 4.467 1.00 12.20 H new ATOM 0 HA LEU A 51 2.399 4.510 4.768 1.00 24.31 H new ATOM 0 HB2 LEU A 51 2.883 6.307 2.368 1.00 74.34 H new ATOM 0 HB3 LEU A 51 2.612 4.578 2.278 1.00 74.34 H new ATOM 0 HG LEU A 51 0.578 6.441 3.512 1.00 24.04 H new ATOM 0 HD11 LEU A 51 -0.575 6.451 1.337 1.00 71.23 H new ATOM 0 HD12 LEU A 51 1.021 7.233 1.242 1.00 71.23 H new ATOM 0 HD13 LEU A 51 0.798 5.584 0.610 1.00 71.23 H new ATOM 0 HD21 LEU A 51 -0.972 4.614 2.938 1.00 51.20 H new ATOM 0 HD22 LEU A 51 0.387 3.676 2.274 1.00 51.20 H new ATOM 0 HD23 LEU A 51 0.335 4.059 4.011 1.00 51.20 H new ATOM 832 N GLU A 52 5.272 5.897 4.536 1.00 61.53 N ATOM 833 CA GLU A 52 6.712 5.671 4.512 1.00 31.35 C ATOM 834 C GLU A 52 7.239 5.376 5.914 1.00 45.11 C ATOM 835 O GLU A 52 8.334 5.803 6.282 1.00 4.40 O ATOM 836 CB GLU A 52 7.433 6.887 3.930 1.00 2.45 C ATOM 837 CG GLU A 52 7.100 8.189 4.639 1.00 4.41 C ATOM 838 CD GLU A 52 8.154 9.258 4.423 1.00 3.02 C ATOM 839 OE1 GLU A 52 8.241 9.787 3.296 1.00 45.44 O ATOM 840 OE2 GLU A 52 8.893 9.564 5.383 1.00 43.12 O ATOM 0 H GLU A 52 4.996 6.833 4.834 1.00 61.53 H new ATOM 0 HA GLU A 52 6.907 4.806 3.879 1.00 31.35 H new ATOM 0 HB2 GLU A 52 8.509 6.720 3.981 1.00 2.45 H new ATOM 0 HB3 GLU A 52 7.175 6.981 2.875 1.00 2.45 H new ATOM 0 HG2 GLU A 52 6.137 8.556 4.283 1.00 4.41 H new ATOM 0 HG3 GLU A 52 6.994 8.000 5.707 1.00 4.41 H new ATOM 847 N THR A 53 6.450 4.643 6.695 1.00 64.51 N ATOM 848 CA THR A 53 6.835 4.292 8.056 1.00 50.12 C ATOM 849 C THR A 53 6.078 3.061 8.541 1.00 4.33 C ATOM 850 O THR A 53 4.855 3.087 8.677 1.00 31.11 O ATOM 851 CB THR A 53 6.578 5.457 9.030 1.00 14.32 C ATOM 852 OG1 THR A 53 5.196 5.484 9.406 1.00 1.23 O ATOM 853 CG2 THR A 53 6.962 6.787 8.398 1.00 74.51 C ATOM 0 H THR A 53 5.541 4.281 6.407 1.00 64.51 H new ATOM 0 HA THR A 53 7.903 4.074 8.037 1.00 50.12 H new ATOM 0 HB THR A 53 7.194 5.303 9.916 1.00 14.32 H new ATOM 0 HG1 THR A 53 4.704 4.808 8.894 1.00 1.23 H new ATOM 0 HG21 THR A 53 6.771 7.594 9.105 1.00 74.51 H new ATOM 0 HG22 THR A 53 8.021 6.774 8.138 1.00 74.51 H new ATOM 0 HG23 THR A 53 6.369 6.946 7.497 1.00 74.51 H new ATOM 861 N SER A 54 6.812 1.985 8.802 1.00 23.12 N ATOM 862 CA SER A 54 6.209 0.742 9.270 1.00 51.42 C ATOM 863 C SER A 54 5.338 0.991 10.497 1.00 33.41 C ATOM 864 O SER A 54 4.341 0.302 10.713 1.00 4.31 O ATOM 865 CB SER A 54 7.295 -0.284 9.599 1.00 12.45 C ATOM 866 OG SER A 54 6.924 -1.578 9.158 1.00 44.24 O ATOM 0 H SER A 54 7.826 1.948 8.697 1.00 23.12 H new ATOM 0 HA SER A 54 5.579 0.349 8.472 1.00 51.42 H new ATOM 0 HB2 SER A 54 8.232 0.010 9.127 1.00 12.45 H new ATOM 0 HB3 SER A 54 7.471 -0.300 10.675 1.00 12.45 H new ATOM 0 HG SER A 54 7.635 -2.215 9.378 1.00 44.24 H new ATOM 872 N GLU A 55 5.723 1.979 11.299 1.00 62.25 N ATOM 873 CA GLU A 55 4.977 2.317 12.505 1.00 44.31 C ATOM 874 C GLU A 55 3.765 3.182 12.171 1.00 22.10 C ATOM 875 O GLU A 55 2.805 3.246 12.937 1.00 32.30 O ATOM 876 CB GLU A 55 5.881 3.048 13.501 1.00 14.13 C ATOM 877 CG GLU A 55 6.291 2.196 14.690 1.00 73.40 C ATOM 878 CD GLU A 55 5.483 2.506 15.935 1.00 30.14 C ATOM 879 OE1 GLU A 55 4.237 2.519 15.847 1.00 73.20 O ATOM 880 OE2 GLU A 55 6.095 2.735 16.999 1.00 3.35 O ATOM 0 H GLU A 55 6.546 2.559 11.135 1.00 62.25 H new ATOM 0 HA GLU A 55 4.625 1.389 12.957 1.00 44.31 H new ATOM 0 HB2 GLU A 55 6.777 3.389 12.983 1.00 14.13 H new ATOM 0 HB3 GLU A 55 5.364 3.937 13.863 1.00 14.13 H new ATOM 0 HG2 GLU A 55 6.171 1.143 14.436 1.00 73.40 H new ATOM 0 HG3 GLU A 55 7.349 2.355 14.899 1.00 73.40 H new ATOM 887 N GLY A 56 3.819 3.848 11.022 1.00 40.14 N ATOM 888 CA GLY A 56 2.720 4.701 10.606 1.00 62.40 C ATOM 889 C GLY A 56 1.495 3.908 10.194 1.00 4.50 C ATOM 890 O GLY A 56 0.381 4.208 10.624 1.00 42.43 O ATOM 0 H GLY A 56 4.604 3.812 10.371 1.00 40.14 H new ATOM 0 HA2 GLY A 56 2.456 5.373 11.423 1.00 62.40 H new ATOM 0 HA3 GLY A 56 3.043 5.324 9.772 1.00 62.40 H new ATOM 894 N CYS A 57 1.700 2.897 9.359 1.00 62.21 N ATOM 895 CA CYS A 57 0.603 2.061 8.887 1.00 34.43 C ATOM 896 C CYS A 57 -0.233 1.550 10.056 1.00 31.54 C ATOM 897 O CYS A 57 -1.409 1.890 10.188 1.00 44.20 O ATOM 898 CB CYS A 57 1.144 0.881 8.077 1.00 11.21 C ATOM 899 SG CYS A 57 2.061 1.362 6.595 1.00 4.24 S ATOM 0 H CYS A 57 2.616 2.636 8.994 1.00 62.21 H new ATOM 0 HA CYS A 57 -0.035 2.670 8.246 1.00 34.43 H new ATOM 0 HB2 CYS A 57 1.794 0.283 8.716 1.00 11.21 H new ATOM 0 HB3 CYS A 57 0.311 0.242 7.784 1.00 11.21 H new ATOM 0 HG CYS A 57 3.268 1.713 6.926 1.00 4.24 H new ATOM 905 N ARG A 58 0.381 0.728 10.901 1.00 34.23 N ATOM 906 CA ARG A 58 -0.307 0.168 12.058 1.00 75.32 C ATOM 907 C ARG A 58 -1.003 1.262 12.860 1.00 2.53 C ATOM 908 O ARG A 58 -2.104 1.065 13.372 1.00 14.34 O ATOM 909 CB ARG A 58 0.681 -0.585 12.951 1.00 51.01 C ATOM 910 CG ARG A 58 0.107 -0.971 14.304 1.00 61.41 C ATOM 911 CD ARG A 58 1.143 -1.672 15.170 1.00 70.13 C ATOM 912 NE ARG A 58 1.957 -0.724 15.925 1.00 41.41 N ATOM 913 CZ ARG A 58 2.964 -1.084 16.713 1.00 41.12 C ATOM 914 NH1 ARG A 58 3.278 -2.365 16.847 1.00 4.32 N ATOM 915 NH2 ARG A 58 3.658 -0.162 17.368 1.00 34.30 N ATOM 0 H ARG A 58 1.353 0.435 10.806 1.00 34.23 H new ATOM 0 HA ARG A 58 -1.063 -0.529 11.696 1.00 75.32 H new ATOM 0 HB2 ARG A 58 1.010 -1.487 12.435 1.00 51.01 H new ATOM 0 HB3 ARG A 58 1.565 0.035 13.104 1.00 51.01 H new ATOM 0 HG2 ARG A 58 -0.253 -0.078 14.816 1.00 61.41 H new ATOM 0 HG3 ARG A 58 -0.753 -1.625 14.162 1.00 61.41 H new ATOM 0 HD2 ARG A 58 0.640 -2.349 15.861 1.00 70.13 H new ATOM 0 HD3 ARG A 58 1.789 -2.283 14.539 1.00 70.13 H new ATOM 0 HE ARG A 58 1.741 0.269 15.843 1.00 41.41 H new ATOM 0 HH11 ARG A 58 2.746 -3.076 16.345 1.00 4.32 H new ATOM 0 HH12 ARG A 58 4.052 -2.640 17.452 1.00 4.32 H new ATOM 0 HH21 ARG A 58 3.418 0.824 17.267 1.00 34.30 H new ATOM 0 HH22 ARG A 58 4.431 -0.440 17.973 1.00 34.30 H new ATOM 929 N GLN A 59 -0.352 2.417 12.965 1.00 21.50 N ATOM 930 CA GLN A 59 -0.908 3.543 13.707 1.00 61.23 C ATOM 931 C GLN A 59 -2.130 4.112 12.995 1.00 74.20 C ATOM 932 O GLN A 59 -3.075 4.574 13.637 1.00 61.34 O ATOM 933 CB GLN A 59 0.149 4.635 13.884 1.00 31.51 C ATOM 934 CG GLN A 59 0.847 4.592 15.234 1.00 14.32 C ATOM 935 CD GLN A 59 0.347 5.665 16.183 1.00 5.41 C ATOM 936 OE1 GLN A 59 -0.855 5.796 16.413 1.00 20.04 O ATOM 937 NE2 GLN A 59 1.271 6.440 16.739 1.00 13.04 N ATOM 0 H GLN A 59 0.560 2.597 12.546 1.00 21.50 H new ATOM 0 HA GLN A 59 -1.217 3.183 14.689 1.00 61.23 H new ATOM 0 HB2 GLN A 59 0.895 4.538 13.095 1.00 31.51 H new ATOM 0 HB3 GLN A 59 -0.323 5.610 13.759 1.00 31.51 H new ATOM 0 HG2 GLN A 59 0.695 3.612 15.687 1.00 14.32 H new ATOM 0 HG3 GLN A 59 1.920 4.713 15.088 1.00 14.32 H new ATOM 0 HE21 GLN A 59 2.257 6.296 16.520 1.00 13.04 H new ATOM 0 HE22 GLN A 59 0.995 7.179 17.385 1.00 13.04 H new ATOM 946 N ILE A 60 -2.106 4.077 11.667 1.00 31.03 N ATOM 947 CA ILE A 60 -3.213 4.589 10.869 1.00 43.43 C ATOM 948 C ILE A 60 -4.483 3.780 11.108 1.00 64.32 C ATOM 949 O ILE A 60 -5.585 4.329 11.140 1.00 34.15 O ATOM 950 CB ILE A 60 -2.879 4.569 9.366 1.00 54.43 C ATOM 951 CG1 ILE A 60 -1.749 5.554 9.059 1.00 63.11 C ATOM 952 CG2 ILE A 60 -4.116 4.902 8.545 1.00 50.32 C ATOM 953 CD1 ILE A 60 -0.833 5.094 7.947 1.00 62.04 C ATOM 0 H ILE A 60 -1.332 3.699 11.121 1.00 31.03 H new ATOM 0 HA ILE A 60 -3.378 5.620 11.182 1.00 43.43 H new ATOM 0 HB ILE A 60 -2.546 3.567 9.096 1.00 54.43 H new ATOM 0 HG12 ILE A 60 -2.181 6.517 8.788 1.00 63.11 H new ATOM 0 HG13 ILE A 60 -1.160 5.712 9.962 1.00 63.11 H new ATOM 0 HG21 ILE A 60 -3.865 4.884 7.485 1.00 50.32 H new ATOM 0 HG22 ILE A 60 -4.895 4.166 8.746 1.00 50.32 H new ATOM 0 HG23 ILE A 60 -4.476 5.895 8.816 1.00 50.32 H new ATOM 0 HD11 ILE A 60 -0.056 5.841 7.783 1.00 62.04 H new ATOM 0 HD12 ILE A 60 -0.372 4.146 8.224 1.00 62.04 H new ATOM 0 HD13 ILE A 60 -1.410 4.964 7.031 1.00 62.04 H new ATOM 965 N LEU A 61 -4.321 2.472 11.275 1.00 11.31 N ATOM 966 CA LEU A 61 -5.455 1.585 11.513 1.00 12.34 C ATOM 967 C LEU A 61 -5.989 1.753 12.932 1.00 30.11 C ATOM 968 O LEU A 61 -7.196 1.858 13.144 1.00 53.53 O ATOM 969 CB LEU A 61 -5.048 0.130 11.278 1.00 2.12 C ATOM 970 CG LEU A 61 -4.206 -0.138 10.030 1.00 31.50 C ATOM 971 CD1 LEU A 61 -3.191 -1.239 10.296 1.00 33.22 C ATOM 972 CD2 LEU A 61 -5.100 -0.507 8.854 1.00 63.21 C ATOM 0 H LEU A 61 -3.416 2.002 11.250 1.00 11.31 H new ATOM 0 HA LEU A 61 -6.246 1.852 10.813 1.00 12.34 H new ATOM 0 HB2 LEU A 61 -4.491 -0.216 12.149 1.00 2.12 H new ATOM 0 HB3 LEU A 61 -5.953 -0.474 11.218 1.00 2.12 H new ATOM 0 HG LEU A 61 -3.664 0.773 9.778 1.00 31.50 H new ATOM 0 HD11 LEU A 61 -2.601 -1.415 9.396 1.00 33.22 H new ATOM 0 HD12 LEU A 61 -2.531 -0.937 11.109 1.00 33.22 H new ATOM 0 HD13 LEU A 61 -3.712 -2.155 10.574 1.00 33.22 H new ATOM 0 HD21 LEU A 61 -4.485 -0.694 7.974 1.00 63.21 H new ATOM 0 HD22 LEU A 61 -5.669 -1.405 9.097 1.00 63.21 H new ATOM 0 HD23 LEU A 61 -5.787 0.313 8.648 1.00 63.21 H new ATOM 984 N GLY A 62 -5.080 1.779 13.902 1.00 32.52 N ATOM 985 CA GLY A 62 -5.480 1.936 15.288 1.00 24.13 C ATOM 986 C GLY A 62 -6.388 3.130 15.498 1.00 55.11 C ATOM 987 O GLY A 62 -7.318 3.077 16.303 1.00 43.12 O ATOM 0 H GLY A 62 -4.075 1.694 13.753 1.00 32.52 H new ATOM 0 HA2 GLY A 62 -5.991 1.032 15.620 1.00 24.13 H new ATOM 0 HA3 GLY A 62 -4.591 2.046 15.909 1.00 24.13 H new ATOM 991 N GLN A 63 -6.119 4.211 14.774 1.00 44.32 N ATOM 992 CA GLN A 63 -6.919 5.426 14.887 1.00 22.40 C ATOM 993 C GLN A 63 -8.237 5.280 14.134 1.00 15.42 C ATOM 994 O GLN A 63 -9.216 5.964 14.439 1.00 63.01 O ATOM 995 CB GLN A 63 -6.140 6.627 14.347 1.00 22.44 C ATOM 996 CG GLN A 63 -5.457 7.445 15.432 1.00 65.53 C ATOM 997 CD GLN A 63 -5.828 8.913 15.376 1.00 10.32 C ATOM 998 OE1 GLN A 63 -6.274 9.491 16.368 1.00 65.43 O ATOM 999 NE2 GLN A 63 -5.646 9.526 14.212 1.00 5.41 N ATOM 0 H GLN A 63 -5.353 4.271 14.103 1.00 44.32 H new ATOM 0 HA GLN A 63 -7.139 5.590 15.942 1.00 22.40 H new ATOM 0 HB2 GLN A 63 -5.388 6.275 13.641 1.00 22.44 H new ATOM 0 HB3 GLN A 63 -6.821 7.272 13.792 1.00 22.44 H new ATOM 0 HG2 GLN A 63 -5.726 7.043 16.409 1.00 65.53 H new ATOM 0 HG3 GLN A 63 -4.376 7.343 15.333 1.00 65.53 H new ATOM 0 HE21 GLN A 63 -5.274 9.008 13.416 1.00 5.41 H new ATOM 0 HE22 GLN A 63 -5.878 10.514 14.114 1.00 5.41 H new ATOM 1008 N LEU A 64 -8.257 4.387 13.152 1.00 30.23 N ATOM 1009 CA LEU A 64 -9.456 4.151 12.355 1.00 54.10 C ATOM 1010 C LEU A 64 -10.354 3.110 13.017 1.00 4.40 C ATOM 1011 O LEU A 64 -11.554 3.050 12.748 1.00 44.43 O ATOM 1012 CB LEU A 64 -9.075 3.691 10.947 1.00 1.12 C ATOM 1013 CG LEU A 64 -8.477 4.760 10.031 1.00 40.12 C ATOM 1014 CD1 LEU A 64 -8.012 4.141 8.722 1.00 75.00 C ATOM 1015 CD2 LEU A 64 -9.489 5.866 9.771 1.00 4.30 C ATOM 0 H LEU A 64 -7.456 3.813 12.888 1.00 30.23 H new ATOM 0 HA LEU A 64 -10.007 5.089 12.287 1.00 54.10 H new ATOM 0 HB2 LEU A 64 -8.359 2.874 11.035 1.00 1.12 H new ATOM 0 HB3 LEU A 64 -9.965 3.285 10.466 1.00 1.12 H new ATOM 0 HG LEU A 64 -7.612 5.197 10.530 1.00 40.12 H new ATOM 0 HD11 LEU A 64 -7.589 4.916 8.083 1.00 75.00 H new ATOM 0 HD12 LEU A 64 -7.253 3.385 8.926 1.00 75.00 H new ATOM 0 HD13 LEU A 64 -8.860 3.677 8.218 1.00 75.00 H new ATOM 0 HD21 LEU A 64 -9.046 6.618 9.118 1.00 4.30 H new ATOM 0 HD22 LEU A 64 -10.373 5.445 9.293 1.00 4.30 H new ATOM 0 HD23 LEU A 64 -9.773 6.329 10.716 1.00 4.30 H new ATOM 1027 N GLN A 65 -9.765 2.294 13.885 1.00 2.14 N ATOM 1028 CA GLN A 65 -10.512 1.257 14.586 1.00 11.02 C ATOM 1029 C GLN A 65 -11.813 1.815 15.157 1.00 70.33 C ATOM 1030 O GLN A 65 -12.909 1.366 14.821 1.00 74.34 O ATOM 1031 CB GLN A 65 -9.664 0.659 15.709 1.00 35.15 C ATOM 1032 CG GLN A 65 -10.483 0.153 16.886 1.00 11.13 C ATOM 1033 CD GLN A 65 -9.680 -0.733 17.818 1.00 4.32 C ATOM 1034 OE1 GLN A 65 -8.590 -1.189 17.473 1.00 61.55 O ATOM 1035 NE2 GLN A 65 -10.215 -0.981 19.008 1.00 31.32 N ATOM 0 H GLN A 65 -8.773 2.331 14.119 1.00 2.14 H new ATOM 0 HA GLN A 65 -10.757 0.474 13.869 1.00 11.02 H new ATOM 0 HB2 GLN A 65 -9.073 -0.164 15.308 1.00 35.15 H new ATOM 0 HB3 GLN A 65 -8.961 1.413 16.063 1.00 35.15 H new ATOM 0 HG2 GLN A 65 -10.872 1.004 17.445 1.00 11.13 H new ATOM 0 HG3 GLN A 65 -11.343 -0.403 16.513 1.00 11.13 H new ATOM 0 HE21 GLN A 65 -11.121 -0.582 19.253 1.00 31.32 H new ATOM 0 HE22 GLN A 65 -9.719 -1.570 19.677 1.00 31.32 H new ATOM 1044 N PRO A 66 -11.691 2.817 16.040 1.00 32.43 N ATOM 1045 CA PRO A 66 -12.846 3.457 16.675 1.00 2.10 C ATOM 1046 C PRO A 66 -13.660 4.292 15.692 1.00 63.02 C ATOM 1047 O PRO A 66 -14.724 4.807 16.033 1.00 34.05 O ATOM 1048 CB PRO A 66 -12.213 4.353 17.742 1.00 23.54 C ATOM 1049 CG PRO A 66 -10.840 4.634 17.235 1.00 12.44 C ATOM 1050 CD PRO A 66 -10.415 3.402 16.486 1.00 31.50 C ATOM 0 HA PRO A 66 -13.548 2.725 17.075 1.00 2.10 H new ATOM 0 HB2 PRO A 66 -12.782 5.273 17.875 1.00 23.54 H new ATOM 0 HB3 PRO A 66 -12.183 3.854 18.711 1.00 23.54 H new ATOM 0 HG2 PRO A 66 -10.836 5.508 16.583 1.00 12.44 H new ATOM 0 HG3 PRO A 66 -10.156 4.846 18.057 1.00 12.44 H new ATOM 0 HD2 PRO A 66 -9.769 3.647 15.643 1.00 31.50 H new ATOM 0 HD3 PRO A 66 -9.859 2.715 17.124 1.00 31.50 H new ATOM 1058 N SER A 67 -13.151 4.422 14.471 1.00 20.03 N ATOM 1059 CA SER A 67 -13.829 5.197 13.439 1.00 43.53 C ATOM 1060 C SER A 67 -14.595 4.284 12.488 1.00 70.54 C ATOM 1061 O SER A 67 -15.559 4.704 11.846 1.00 23.31 O ATOM 1062 CB SER A 67 -12.817 6.036 12.655 1.00 13.14 C ATOM 1063 OG SER A 67 -13.439 7.168 12.070 1.00 2.34 O ATOM 0 H SER A 67 -12.271 4.001 14.172 1.00 20.03 H new ATOM 0 HA SER A 67 -14.541 5.862 13.928 1.00 43.53 H new ATOM 0 HB2 SER A 67 -12.016 6.360 13.319 1.00 13.14 H new ATOM 0 HB3 SER A 67 -12.359 5.426 11.877 1.00 13.14 H new ATOM 0 HG SER A 67 -12.772 7.689 11.576 1.00 2.34 H new ATOM 1069 N LEU A 68 -14.159 3.031 12.402 1.00 55.41 N ATOM 1070 CA LEU A 68 -14.804 2.056 11.529 1.00 25.11 C ATOM 1071 C LEU A 68 -16.297 1.961 11.826 1.00 21.44 C ATOM 1072 O LEU A 68 -17.082 1.537 10.979 1.00 50.21 O ATOM 1073 CB LEU A 68 -14.150 0.683 11.696 1.00 72.24 C ATOM 1074 CG LEU A 68 -12.764 0.519 11.071 1.00 34.45 C ATOM 1075 CD1 LEU A 68 -12.105 -0.760 11.564 1.00 5.33 C ATOM 1076 CD2 LEU A 68 -12.859 0.521 9.553 1.00 72.00 C ATOM 0 H LEU A 68 -13.363 2.667 12.925 1.00 55.41 H new ATOM 0 HA LEU A 68 -14.679 2.389 10.499 1.00 25.11 H new ATOM 0 HB2 LEU A 68 -14.074 0.466 12.762 1.00 72.24 H new ATOM 0 HB3 LEU A 68 -14.812 -0.068 11.264 1.00 72.24 H new ATOM 0 HG LEU A 68 -12.146 1.364 11.377 1.00 34.45 H new ATOM 0 HD11 LEU A 68 -11.120 -0.860 11.109 1.00 5.33 H new ATOM 0 HD12 LEU A 68 -12.002 -0.721 12.648 1.00 5.33 H new ATOM 0 HD13 LEU A 68 -12.721 -1.616 11.288 1.00 5.33 H new ATOM 0 HD21 LEU A 68 -11.863 0.403 9.126 1.00 72.00 H new ATOM 0 HD22 LEU A 68 -13.493 -0.303 9.227 1.00 72.00 H new ATOM 0 HD23 LEU A 68 -13.289 1.464 9.217 1.00 72.00 H new ATOM 1088 N GLN A 69 -16.681 2.360 13.034 1.00 12.11 N ATOM 1089 CA GLN A 69 -18.080 2.321 13.443 1.00 52.24 C ATOM 1090 C GLN A 69 -18.824 3.561 12.955 1.00 63.52 C ATOM 1091 O GLN A 69 -19.960 3.472 12.487 1.00 15.45 O ATOM 1092 CB GLN A 69 -18.186 2.213 14.965 1.00 54.11 C ATOM 1093 CG GLN A 69 -19.492 1.596 15.441 1.00 64.13 C ATOM 1094 CD GLN A 69 -19.334 0.146 15.855 1.00 14.22 C ATOM 1095 OE1 GLN A 69 -19.163 -0.159 17.035 1.00 34.24 O ATOM 1096 NE2 GLN A 69 -19.393 -0.757 14.883 1.00 0.52 N ATOM 0 H GLN A 69 -16.043 2.714 13.747 1.00 12.11 H new ATOM 0 HA GLN A 69 -18.540 1.442 12.992 1.00 52.24 H new ATOM 0 HB2 GLN A 69 -17.354 1.615 15.337 1.00 54.11 H new ATOM 0 HB3 GLN A 69 -18.084 3.207 15.400 1.00 54.11 H new ATOM 0 HG2 GLN A 69 -19.875 2.171 16.284 1.00 64.13 H new ATOM 0 HG3 GLN A 69 -20.233 1.664 14.645 1.00 64.13 H new ATOM 0 HE21 GLN A 69 -19.536 -0.459 13.918 1.00 0.52 H new ATOM 0 HE22 GLN A 69 -19.295 -1.749 15.101 1.00 0.52 H new ATOM 1105 N THR A 70 -18.177 4.716 13.068 1.00 23.32 N ATOM 1106 CA THR A 70 -18.777 5.973 12.641 1.00 43.30 C ATOM 1107 C THR A 70 -18.726 6.120 11.124 1.00 11.11 C ATOM 1108 O THR A 70 -19.745 6.362 10.479 1.00 22.12 O ATOM 1109 CB THR A 70 -18.071 7.180 13.285 1.00 3.52 C ATOM 1110 OG1 THR A 70 -16.957 6.736 14.069 1.00 34.22 O ATOM 1111 CG2 THR A 70 -19.033 7.966 14.163 1.00 32.31 C ATOM 0 H THR A 70 -17.236 4.807 13.452 1.00 23.32 H new ATOM 0 HA THR A 70 -19.817 5.953 12.967 1.00 43.30 H new ATOM 0 HB THR A 70 -17.717 7.832 12.487 1.00 3.52 H new ATOM 0 HG1 THR A 70 -16.513 7.510 14.474 1.00 34.22 H new ATOM 0 HG21 THR A 70 -18.511 8.814 14.607 1.00 32.31 H new ATOM 0 HG22 THR A 70 -19.864 8.328 13.558 1.00 32.31 H new ATOM 0 HG23 THR A 70 -19.414 7.320 14.954 1.00 32.31 H new ATOM 1119 N GLY A 71 -17.531 5.970 10.559 1.00 11.45 N ATOM 1120 CA GLY A 71 -17.370 6.088 9.122 1.00 2.53 C ATOM 1121 C GLY A 71 -18.138 5.025 8.363 1.00 5.32 C ATOM 1122 O GLY A 71 -18.732 4.131 8.964 1.00 21.34 O ATOM 0 H GLY A 71 -16.672 5.769 11.071 1.00 11.45 H new ATOM 0 HA2 GLY A 71 -17.707 7.074 8.802 1.00 2.53 H new ATOM 0 HA3 GLY A 71 -16.312 6.016 8.871 1.00 2.53 H new ATOM 1126 N SER A 72 -18.128 5.123 7.038 1.00 43.05 N ATOM 1127 CA SER A 72 -18.833 4.165 6.195 1.00 73.41 C ATOM 1128 C SER A 72 -17.864 3.152 5.593 1.00 5.54 C ATOM 1129 O SER A 72 -16.716 3.045 6.024 1.00 5.22 O ATOM 1130 CB SER A 72 -19.587 4.892 5.080 1.00 62.24 C ATOM 1131 OG SER A 72 -18.727 5.188 3.993 1.00 54.21 O ATOM 0 H SER A 72 -17.639 5.857 6.525 1.00 43.05 H new ATOM 0 HA SER A 72 -19.549 3.629 6.819 1.00 73.41 H new ATOM 0 HB2 SER A 72 -20.416 4.274 4.734 1.00 62.24 H new ATOM 0 HB3 SER A 72 -20.017 5.815 5.469 1.00 62.24 H new ATOM 0 HG SER A 72 -19.232 5.651 3.293 1.00 54.21 H new ATOM 1137 N GLU A 73 -18.334 2.412 4.594 1.00 21.14 N ATOM 1138 CA GLU A 73 -17.509 1.408 3.934 1.00 61.32 C ATOM 1139 C GLU A 73 -16.281 2.049 3.294 1.00 65.33 C ATOM 1140 O GLU A 73 -15.317 1.363 2.954 1.00 63.20 O ATOM 1141 CB GLU A 73 -18.321 0.665 2.872 1.00 54.35 C ATOM 1142 CG GLU A 73 -19.248 -0.395 3.444 1.00 41.12 C ATOM 1143 CD GLU A 73 -19.662 -1.427 2.413 1.00 2.10 C ATOM 1144 OE1 GLU A 73 -19.596 -1.117 1.205 1.00 44.23 O ATOM 1145 OE2 GLU A 73 -20.051 -2.544 2.814 1.00 14.53 O ATOM 0 H GLU A 73 -19.282 2.489 4.224 1.00 21.14 H new ATOM 0 HA GLU A 73 -17.175 0.696 4.689 1.00 61.32 H new ATOM 0 HB2 GLU A 73 -18.912 1.387 2.308 1.00 54.35 H new ATOM 0 HB3 GLU A 73 -17.636 0.194 2.167 1.00 54.35 H new ATOM 0 HG2 GLU A 73 -18.752 -0.896 4.275 1.00 41.12 H new ATOM 0 HG3 GLU A 73 -20.138 0.086 3.848 1.00 41.12 H new ATOM 1152 N GLU A 74 -16.324 3.367 3.133 1.00 13.33 N ATOM 1153 CA GLU A 74 -15.216 4.100 2.533 1.00 61.02 C ATOM 1154 C GLU A 74 -13.979 4.043 3.425 1.00 25.12 C ATOM 1155 O GLU A 74 -12.853 4.225 2.959 1.00 54.01 O ATOM 1156 CB GLU A 74 -15.613 5.558 2.286 1.00 62.33 C ATOM 1157 CG GLU A 74 -15.475 5.987 0.835 1.00 11.42 C ATOM 1158 CD GLU A 74 -16.767 6.542 0.267 1.00 73.45 C ATOM 1159 OE1 GLU A 74 -17.813 5.876 0.409 1.00 65.34 O ATOM 1160 OE2 GLU A 74 -16.731 7.643 -0.322 1.00 71.23 O ATOM 0 H GLU A 74 -17.114 3.949 3.410 1.00 13.33 H new ATOM 0 HA GLU A 74 -14.977 3.629 1.579 1.00 61.02 H new ATOM 0 HB2 GLU A 74 -16.646 5.704 2.603 1.00 62.33 H new ATOM 0 HB3 GLU A 74 -14.995 6.205 2.908 1.00 62.33 H new ATOM 0 HG2 GLU A 74 -14.693 6.742 0.756 1.00 11.42 H new ATOM 0 HG3 GLU A 74 -15.156 5.134 0.236 1.00 11.42 H new ATOM 1167 N LEU A 75 -14.196 3.791 4.711 1.00 23.31 N ATOM 1168 CA LEU A 75 -13.100 3.710 5.671 1.00 74.11 C ATOM 1169 C LEU A 75 -12.592 2.277 5.799 1.00 72.34 C ATOM 1170 O LEU A 75 -11.398 2.045 5.987 1.00 3.44 O ATOM 1171 CB LEU A 75 -13.553 4.226 7.037 1.00 33.11 C ATOM 1172 CG LEU A 75 -12.451 4.761 7.952 1.00 61.31 C ATOM 1173 CD1 LEU A 75 -12.533 6.276 8.057 1.00 31.04 C ATOM 1174 CD2 LEU A 75 -12.545 4.123 9.331 1.00 74.20 C ATOM 0 H LEU A 75 -15.121 3.639 5.113 1.00 23.31 H new ATOM 0 HA LEU A 75 -12.284 4.334 5.306 1.00 74.11 H new ATOM 0 HB2 LEU A 75 -14.284 5.019 6.879 1.00 33.11 H new ATOM 0 HB3 LEU A 75 -14.068 3.417 7.556 1.00 33.11 H new ATOM 0 HG LEU A 75 -11.486 4.499 7.518 1.00 61.31 H new ATOM 0 HD11 LEU A 75 -11.741 6.639 8.712 1.00 31.04 H new ATOM 0 HD12 LEU A 75 -12.415 6.716 7.067 1.00 31.04 H new ATOM 0 HD13 LEU A 75 -13.502 6.560 8.467 1.00 31.04 H new ATOM 0 HD21 LEU A 75 -11.753 4.516 9.968 1.00 74.20 H new ATOM 0 HD22 LEU A 75 -13.514 4.353 9.773 1.00 74.20 H new ATOM 0 HD23 LEU A 75 -12.435 3.042 9.240 1.00 74.20 H new ATOM 1186 N ARG A 76 -13.507 1.319 5.692 1.00 15.10 N ATOM 1187 CA ARG A 76 -13.153 -0.091 5.795 1.00 71.42 C ATOM 1188 C ARG A 76 -12.059 -0.451 4.793 1.00 60.33 C ATOM 1189 O ARG A 76 -11.092 -1.133 5.133 1.00 54.01 O ATOM 1190 CB ARG A 76 -14.384 -0.967 5.558 1.00 21.43 C ATOM 1191 CG ARG A 76 -14.528 -2.100 6.562 1.00 1.42 C ATOM 1192 CD ARG A 76 -15.870 -2.045 7.276 1.00 43.52 C ATOM 1193 NE ARG A 76 -16.957 -2.536 6.435 1.00 32.31 N ATOM 1194 CZ ARG A 76 -18.240 -2.470 6.778 1.00 3.41 C ATOM 1195 NH1 ARG A 76 -18.591 -1.933 7.938 1.00 32.41 N ATOM 1196 NH2 ARG A 76 -19.172 -2.938 5.958 1.00 24.35 N ATOM 0 H ARG A 76 -14.499 1.494 5.534 1.00 15.10 H new ATOM 0 HA ARG A 76 -12.775 -0.272 6.801 1.00 71.42 H new ATOM 0 HB2 ARG A 76 -15.277 -0.343 5.597 1.00 21.43 H new ATOM 0 HB3 ARG A 76 -14.333 -1.387 4.554 1.00 21.43 H new ATOM 0 HG2 ARG A 76 -14.426 -3.057 6.050 1.00 1.42 H new ATOM 0 HG3 ARG A 76 -13.723 -2.043 7.294 1.00 1.42 H new ATOM 0 HD2 ARG A 76 -15.820 -2.640 8.188 1.00 43.52 H new ATOM 0 HD3 ARG A 76 -16.079 -1.018 7.576 1.00 43.52 H new ATOM 0 HE ARG A 76 -16.720 -2.953 5.535 1.00 32.31 H new ATOM 0 HH11 ARG A 76 -17.877 -1.570 8.569 1.00 32.41 H new ATOM 0 HH12 ARG A 76 -19.576 -1.883 8.200 1.00 32.41 H new ATOM 0 HH21 ARG A 76 -18.905 -3.349 5.064 1.00 24.35 H new ATOM 0 HH22 ARG A 76 -20.156 -2.887 6.222 1.00 24.35 H new ATOM 1210 N SER A 77 -12.220 0.012 3.558 1.00 1.51 N ATOM 1211 CA SER A 77 -11.249 -0.264 2.505 1.00 0.23 C ATOM 1212 C SER A 77 -9.842 0.130 2.947 1.00 31.02 C ATOM 1213 O SER A 77 -8.879 -0.605 2.721 1.00 53.41 O ATOM 1214 CB SER A 77 -11.623 0.488 1.226 1.00 14.12 C ATOM 1215 OG SER A 77 -12.462 -0.300 0.399 1.00 73.10 O ATOM 0 H SER A 77 -13.014 0.580 3.261 1.00 1.51 H new ATOM 0 HA SER A 77 -11.262 -1.335 2.305 1.00 0.23 H new ATOM 0 HB2 SER A 77 -12.130 1.419 1.482 1.00 14.12 H new ATOM 0 HB3 SER A 77 -10.718 0.757 0.681 1.00 14.12 H new ATOM 0 HG SER A 77 -12.689 0.203 -0.411 1.00 73.10 H new ATOM 1221 N LEU A 78 -9.732 1.293 3.578 1.00 62.00 N ATOM 1222 CA LEU A 78 -8.443 1.787 4.053 1.00 73.24 C ATOM 1223 C LEU A 78 -7.814 0.807 5.038 1.00 13.35 C ATOM 1224 O LEU A 78 -6.665 0.395 4.873 1.00 54.20 O ATOM 1225 CB LEU A 78 -8.611 3.156 4.714 1.00 33.41 C ATOM 1226 CG LEU A 78 -8.104 4.355 3.912 1.00 73.03 C ATOM 1227 CD1 LEU A 78 -6.638 4.175 3.552 1.00 64.22 C ATOM 1228 CD2 LEU A 78 -8.944 4.551 2.658 1.00 42.15 C ATOM 0 H LEU A 78 -10.519 1.912 3.773 1.00 62.00 H new ATOM 0 HA LEU A 78 -7.780 1.885 3.193 1.00 73.24 H new ATOM 0 HB2 LEU A 78 -9.669 3.307 4.926 1.00 33.41 H new ATOM 0 HB3 LEU A 78 -8.093 3.140 5.673 1.00 33.41 H new ATOM 0 HG LEU A 78 -8.197 5.248 4.531 1.00 73.03 H new ATOM 0 HD11 LEU A 78 -6.295 5.038 2.981 1.00 64.22 H new ATOM 0 HD12 LEU A 78 -6.048 4.085 4.464 1.00 64.22 H new ATOM 0 HD13 LEU A 78 -6.519 3.273 2.952 1.00 64.22 H new ATOM 0 HD21 LEU A 78 -8.569 5.409 2.099 1.00 42.15 H new ATOM 0 HD22 LEU A 78 -8.883 3.658 2.036 1.00 42.15 H new ATOM 0 HD23 LEU A 78 -9.982 4.727 2.939 1.00 42.15 H new ATOM 1240 N TYR A 79 -8.576 0.436 6.062 1.00 24.24 N ATOM 1241 CA TYR A 79 -8.093 -0.495 7.075 1.00 23.04 C ATOM 1242 C TYR A 79 -7.482 -1.736 6.428 1.00 13.43 C ATOM 1243 O TYR A 79 -6.375 -2.146 6.770 1.00 2.04 O ATOM 1244 CB TYR A 79 -9.234 -0.903 8.008 1.00 54.00 C ATOM 1245 CG TYR A 79 -8.779 -1.234 9.412 1.00 35.01 C ATOM 1246 CD1 TYR A 79 -8.247 -2.481 9.715 1.00 45.25 C ATOM 1247 CD2 TYR A 79 -8.882 -0.300 10.435 1.00 15.41 C ATOM 1248 CE1 TYR A 79 -7.830 -2.788 10.995 1.00 15.32 C ATOM 1249 CE2 TYR A 79 -8.468 -0.597 11.719 1.00 20.23 C ATOM 1250 CZ TYR A 79 -7.943 -1.843 11.994 1.00 51.42 C ATOM 1251 OH TYR A 79 -7.529 -2.145 13.271 1.00 2.14 O ATOM 0 H TYR A 79 -9.530 0.766 6.212 1.00 24.24 H new ATOM 0 HA TYR A 79 -7.320 0.008 7.655 1.00 23.04 H new ATOM 0 HB2 TYR A 79 -9.963 -0.094 8.053 1.00 54.00 H new ATOM 0 HB3 TYR A 79 -9.745 -1.769 7.587 1.00 54.00 H new ATOM 0 HD1 TYR A 79 -8.158 -3.223 8.936 1.00 45.25 H new ATOM 0 HD2 TYR A 79 -9.293 0.676 10.223 1.00 15.41 H new ATOM 0 HE1 TYR A 79 -7.418 -3.762 11.213 1.00 15.32 H new ATOM 0 HE2 TYR A 79 -8.555 0.141 12.502 1.00 20.23 H new ATOM 0 HH TYR A 79 -7.676 -1.371 13.854 1.00 2.14 H new ATOM 1261 N ASN A 80 -8.216 -2.327 5.491 1.00 51.35 N ATOM 1262 CA ASN A 80 -7.747 -3.521 4.795 1.00 55.33 C ATOM 1263 C ASN A 80 -6.570 -3.192 3.883 1.00 41.42 C ATOM 1264 O ASN A 80 -5.792 -4.072 3.513 1.00 4.34 O ATOM 1265 CB ASN A 80 -8.884 -4.137 3.976 1.00 14.43 C ATOM 1266 CG ASN A 80 -9.877 -4.889 4.841 1.00 54.24 C ATOM 1267 OD1 ASN A 80 -9.836 -4.808 6.069 1.00 42.43 O ATOM 1268 ND2 ASN A 80 -10.778 -5.627 4.202 1.00 43.33 N ATOM 0 H ASN A 80 -9.136 -2.000 5.196 1.00 51.35 H new ATOM 0 HA ASN A 80 -7.414 -4.241 5.543 1.00 55.33 H new ATOM 0 HB2 ASN A 80 -9.404 -3.349 3.431 1.00 14.43 H new ATOM 0 HB3 ASN A 80 -8.466 -4.816 3.233 1.00 14.43 H new ATOM 0 HD21 ASN A 80 -11.472 -6.155 4.731 1.00 43.33 H new ATOM 0 HD22 ASN A 80 -10.776 -5.665 3.183 1.00 43.33 H new ATOM 1275 N THR A 81 -6.443 -1.918 3.525 1.00 60.25 N ATOM 1276 CA THR A 81 -5.360 -1.472 2.657 1.00 70.43 C ATOM 1277 C THR A 81 -4.074 -1.262 3.446 1.00 61.14 C ATOM 1278 O THR A 81 -3.101 -1.997 3.274 1.00 55.05 O ATOM 1279 CB THR A 81 -5.725 -0.163 1.931 1.00 24.11 C ATOM 1280 OG1 THR A 81 -6.885 -0.361 1.115 1.00 14.14 O ATOM 1281 CG2 THR A 81 -4.568 0.318 1.068 1.00 31.34 C ATOM 0 H THR A 81 -7.077 -1.177 3.823 1.00 60.25 H new ATOM 0 HA THR A 81 -5.204 -2.257 1.917 1.00 70.43 H new ATOM 0 HB THR A 81 -5.937 0.596 2.684 1.00 24.11 H new ATOM 0 HG1 THR A 81 -7.666 -0.509 1.688 1.00 14.14 H new ATOM 0 HG21 THR A 81 -4.849 1.243 0.565 1.00 31.34 H new ATOM 0 HG22 THR A 81 -3.695 0.497 1.696 1.00 31.34 H new ATOM 0 HG23 THR A 81 -4.329 -0.441 0.323 1.00 31.34 H new ATOM 1289 N ILE A 82 -4.074 -0.254 4.312 1.00 74.24 N ATOM 1290 CA ILE A 82 -2.907 0.051 5.129 1.00 10.11 C ATOM 1291 C ILE A 82 -2.357 -1.206 5.793 1.00 65.04 C ATOM 1292 O ILE A 82 -1.145 -1.359 5.949 1.00 3.43 O ATOM 1293 CB ILE A 82 -3.238 1.089 6.218 1.00 41.41 C ATOM 1294 CG1 ILE A 82 -3.722 2.393 5.580 1.00 22.43 C ATOM 1295 CG2 ILE A 82 -2.020 1.343 7.095 1.00 15.14 C ATOM 1296 CD1 ILE A 82 -5.022 2.903 6.159 1.00 15.12 C ATOM 0 H ILE A 82 -4.870 0.365 4.466 1.00 74.24 H new ATOM 0 HA ILE A 82 -2.153 0.465 4.460 1.00 10.11 H new ATOM 0 HB ILE A 82 -4.038 0.694 6.845 1.00 41.41 H new ATOM 0 HG12 ILE A 82 -2.954 3.156 5.705 1.00 22.43 H new ATOM 0 HG13 ILE A 82 -3.847 2.239 4.508 1.00 22.43 H new ATOM 0 HG21 ILE A 82 -2.269 2.079 7.860 1.00 15.14 H new ATOM 0 HG22 ILE A 82 -1.715 0.412 7.573 1.00 15.14 H new ATOM 0 HG23 ILE A 82 -1.202 1.721 6.481 1.00 15.14 H new ATOM 0 HD11 ILE A 82 -5.304 3.830 5.659 1.00 15.12 H new ATOM 0 HD12 ILE A 82 -5.804 2.158 6.010 1.00 15.12 H new ATOM 0 HD13 ILE A 82 -4.897 3.089 7.226 1.00 15.12 H new ATOM 1308 N ALA A 83 -3.254 -2.106 6.179 1.00 60.41 N ATOM 1309 CA ALA A 83 -2.858 -3.353 6.821 1.00 22.12 C ATOM 1310 C ALA A 83 -1.939 -4.169 5.919 1.00 65.54 C ATOM 1311 O ALA A 83 -0.972 -4.772 6.382 1.00 23.32 O ATOM 1312 CB ALA A 83 -4.087 -4.166 7.199 1.00 32.12 C ATOM 0 H ALA A 83 -4.261 -1.995 6.058 1.00 60.41 H new ATOM 0 HA ALA A 83 -2.306 -3.105 7.728 1.00 22.12 H new ATOM 0 HB1 ALA A 83 -3.776 -5.095 7.678 1.00 32.12 H new ATOM 0 HB2 ALA A 83 -4.705 -3.592 7.889 1.00 32.12 H new ATOM 0 HB3 ALA A 83 -4.662 -4.395 6.302 1.00 32.12 H new ATOM 1318 N VAL A 84 -2.248 -4.184 4.626 1.00 42.14 N ATOM 1319 CA VAL A 84 -1.449 -4.925 3.657 1.00 75.33 C ATOM 1320 C VAL A 84 -0.087 -4.273 3.455 1.00 40.13 C ATOM 1321 O VAL A 84 0.900 -4.949 3.156 1.00 32.24 O ATOM 1322 CB VAL A 84 -2.166 -5.025 2.297 1.00 41.31 C ATOM 1323 CG1 VAL A 84 -1.303 -5.771 1.292 1.00 70.14 C ATOM 1324 CG2 VAL A 84 -3.519 -5.700 2.457 1.00 75.53 C ATOM 0 H VAL A 84 -3.046 -3.691 4.225 1.00 42.14 H new ATOM 0 HA VAL A 84 -1.312 -5.928 4.061 1.00 75.33 H new ATOM 0 HB VAL A 84 -2.332 -4.017 1.918 1.00 41.31 H new ATOM 0 HG11 VAL A 84 -1.826 -5.832 0.338 1.00 70.14 H new ATOM 0 HG12 VAL A 84 -0.361 -5.240 1.156 1.00 70.14 H new ATOM 0 HG13 VAL A 84 -1.103 -6.777 1.660 1.00 70.14 H new ATOM 0 HG21 VAL A 84 -4.012 -5.762 1.487 1.00 75.53 H new ATOM 0 HG22 VAL A 84 -3.380 -6.704 2.858 1.00 75.53 H new ATOM 0 HG23 VAL A 84 -4.137 -5.118 3.141 1.00 75.53 H new ATOM 1334 N LEU A 85 -0.038 -2.956 3.617 1.00 2.35 N ATOM 1335 CA LEU A 85 1.206 -2.211 3.454 1.00 51.33 C ATOM 1336 C LEU A 85 2.088 -2.343 4.690 1.00 13.04 C ATOM 1337 O LEU A 85 3.307 -2.479 4.585 1.00 23.21 O ATOM 1338 CB LEU A 85 0.907 -0.734 3.182 1.00 63.40 C ATOM 1339 CG LEU A 85 2.114 0.204 3.176 1.00 51.34 C ATOM 1340 CD1 LEU A 85 3.097 -0.197 2.087 1.00 71.24 C ATOM 1341 CD2 LEU A 85 1.666 1.646 2.987 1.00 13.22 C ATOM 0 H LEU A 85 -0.845 -2.382 3.861 1.00 2.35 H new ATOM 0 HA LEU A 85 1.742 -2.631 2.603 1.00 51.33 H new ATOM 0 HB2 LEU A 85 0.407 -0.657 2.216 1.00 63.40 H new ATOM 0 HB3 LEU A 85 0.202 -0.382 3.935 1.00 63.40 H new ATOM 0 HG LEU A 85 2.618 0.123 4.139 1.00 51.34 H new ATOM 0 HD11 LEU A 85 3.949 0.482 2.098 1.00 71.24 H new ATOM 0 HD12 LEU A 85 3.442 -1.215 2.265 1.00 71.24 H new ATOM 0 HD13 LEU A 85 2.605 -0.146 1.116 1.00 71.24 H new ATOM 0 HD21 LEU A 85 2.538 2.301 2.985 1.00 13.22 H new ATOM 0 HD22 LEU A 85 1.138 1.742 2.038 1.00 13.22 H new ATOM 0 HD23 LEU A 85 1.001 1.930 3.802 1.00 13.22 H new ATOM 1353 N TYR A 86 1.464 -2.304 5.863 1.00 40.14 N ATOM 1354 CA TYR A 86 2.192 -2.419 7.120 1.00 31.12 C ATOM 1355 C TYR A 86 3.142 -3.613 7.093 1.00 61.00 C ATOM 1356 O TYR A 86 4.299 -3.509 7.502 1.00 12.40 O ATOM 1357 CB TYR A 86 1.214 -2.559 8.289 1.00 53.12 C ATOM 1358 CG TYR A 86 1.881 -2.920 9.596 1.00 24.41 C ATOM 1359 CD1 TYR A 86 2.652 -1.993 10.286 1.00 73.41 C ATOM 1360 CD2 TYR A 86 1.740 -4.190 10.143 1.00 30.40 C ATOM 1361 CE1 TYR A 86 3.263 -2.320 11.481 1.00 25.42 C ATOM 1362 CE2 TYR A 86 2.346 -4.525 11.337 1.00 23.44 C ATOM 1363 CZ TYR A 86 3.108 -3.587 12.003 1.00 63.22 C ATOM 1364 OH TYR A 86 3.714 -3.916 13.193 1.00 71.13 O ATOM 0 H TYR A 86 0.455 -2.194 5.968 1.00 40.14 H new ATOM 0 HA TYR A 86 2.781 -1.512 7.253 1.00 31.12 H new ATOM 0 HB2 TYR A 86 0.673 -1.621 8.414 1.00 53.12 H new ATOM 0 HB3 TYR A 86 0.476 -3.323 8.045 1.00 53.12 H new ATOM 0 HD1 TYR A 86 2.776 -0.999 9.881 1.00 73.41 H new ATOM 0 HD2 TYR A 86 1.146 -4.928 9.625 1.00 30.40 H new ATOM 0 HE1 TYR A 86 3.859 -1.587 12.004 1.00 25.42 H new ATOM 0 HE2 TYR A 86 2.224 -5.516 11.748 1.00 23.44 H new ATOM 0 HH TYR A 86 3.504 -4.846 13.421 1.00 71.13 H new ATOM 1374 N CYS A 87 2.645 -4.744 6.607 1.00 71.43 N ATOM 1375 CA CYS A 87 3.448 -5.959 6.525 1.00 71.35 C ATOM 1376 C CYS A 87 4.566 -5.804 5.498 1.00 11.23 C ATOM 1377 O CYS A 87 5.639 -6.390 5.639 1.00 25.35 O ATOM 1378 CB CYS A 87 2.567 -7.155 6.159 1.00 2.52 C ATOM 1379 SG CYS A 87 1.992 -8.109 7.583 1.00 71.50 S ATOM 0 H CYS A 87 1.690 -4.846 6.264 1.00 71.43 H new ATOM 0 HA CYS A 87 3.898 -6.133 7.503 1.00 71.35 H new ATOM 0 HB2 CYS A 87 1.702 -6.798 5.601 1.00 2.52 H new ATOM 0 HB3 CYS A 87 3.125 -7.814 5.495 1.00 2.52 H new ATOM 0 HG CYS A 87 0.755 -8.462 7.398 1.00 71.50 H new ATOM 1385 N VAL A 88 4.306 -5.010 4.463 1.00 32.31 N ATOM 1386 CA VAL A 88 5.289 -4.778 3.413 1.00 64.24 C ATOM 1387 C VAL A 88 6.516 -4.054 3.958 1.00 74.32 C ATOM 1388 O VAL A 88 7.619 -4.194 3.428 1.00 34.30 O ATOM 1389 CB VAL A 88 4.691 -3.953 2.257 1.00 3.11 C ATOM 1390 CG1 VAL A 88 5.733 -3.716 1.175 1.00 2.11 C ATOM 1391 CG2 VAL A 88 3.466 -4.648 1.686 1.00 73.42 C ATOM 0 H VAL A 88 3.423 -4.517 4.330 1.00 32.31 H new ATOM 0 HA VAL A 88 5.586 -5.757 3.036 1.00 64.24 H new ATOM 0 HB VAL A 88 4.381 -2.984 2.647 1.00 3.11 H new ATOM 0 HG11 VAL A 88 5.292 -3.132 0.367 1.00 2.11 H new ATOM 0 HG12 VAL A 88 6.578 -3.172 1.597 1.00 2.11 H new ATOM 0 HG13 VAL A 88 6.076 -4.674 0.784 1.00 2.11 H new ATOM 0 HG21 VAL A 88 3.056 -4.052 0.871 1.00 73.42 H new ATOM 0 HG22 VAL A 88 3.748 -5.632 1.310 1.00 73.42 H new ATOM 0 HG23 VAL A 88 2.714 -4.760 2.467 1.00 73.42 H new ATOM 1401 N HIS A 89 6.316 -3.281 5.020 1.00 51.21 N ATOM 1402 CA HIS A 89 7.406 -2.535 5.639 1.00 11.43 C ATOM 1403 C HIS A 89 8.004 -3.317 6.805 1.00 1.22 C ATOM 1404 O HIS A 89 9.185 -3.105 7.080 1.00 63.55 O ATOM 1405 CB HIS A 89 6.910 -1.173 6.125 1.00 14.41 C ATOM 1406 CG HIS A 89 6.386 -0.299 5.026 1.00 62.11 C ATOM 1407 ND1 HIS A 89 6.923 -0.283 3.757 1.00 25.11 N ATOM 1408 CD2 HIS A 89 5.366 0.590 5.013 1.00 43.12 C ATOM 1409 CE1 HIS A 89 6.258 0.580 3.010 1.00 73.31 C ATOM 1410 NE2 HIS A 89 5.306 1.122 3.749 1.00 44.40 N ATOM 0 H HIS A 89 5.409 -3.155 5.470 1.00 51.21 H new ATOM 0 HA HIS A 89 8.182 -2.383 4.889 1.00 11.43 H new ATOM 0 HB2 HIS A 89 6.123 -1.325 6.864 1.00 14.41 H new ATOM 0 HB3 HIS A 89 7.727 -0.657 6.630 1.00 14.41 H new ATOM 0 HD2 HIS A 89 4.719 0.835 5.843 1.00 43.12 H new ATOM 0 HE1 HIS A 89 6.458 0.804 1.973 1.00 73.31 H new ATOM 0 HE2 HIS A 89 4.635 1.822 3.432 1.00 44.40 H new ATOM 1419 N GLN A 90 7.248 -4.182 7.473 1.00 24.45 N ATOM 1420 CA GLN A 90 7.776 -4.950 8.594 1.00 62.32 C ATOM 1421 C GLN A 90 8.462 -6.222 8.107 1.00 30.33 C ATOM 1422 O GLN A 90 8.846 -7.077 8.906 1.00 72.42 O ATOM 1423 CB GLN A 90 6.654 -5.304 9.571 1.00 2.43 C ATOM 1424 CG GLN A 90 7.150 -5.672 10.960 1.00 2.24 C ATOM 1425 CD GLN A 90 8.028 -4.598 11.570 1.00 64.23 C ATOM 1426 OE1 GLN A 90 9.247 -4.601 11.392 1.00 21.42 O ATOM 1427 NE2 GLN A 90 7.414 -3.670 12.293 1.00 3.24 N ATOM 0 H GLN A 90 6.269 -4.368 7.258 1.00 24.45 H new ATOM 0 HA GLN A 90 8.514 -4.334 9.108 1.00 62.32 H new ATOM 0 HB2 GLN A 90 5.972 -4.457 9.650 1.00 2.43 H new ATOM 0 HB3 GLN A 90 6.081 -6.138 9.166 1.00 2.43 H new ATOM 0 HG2 GLN A 90 6.295 -5.850 11.612 1.00 2.24 H new ATOM 0 HG3 GLN A 90 7.709 -6.606 10.906 1.00 2.24 H new ATOM 0 HE21 GLN A 90 6.402 -3.705 12.415 1.00 3.24 H new ATOM 0 HE22 GLN A 90 7.954 -2.921 12.727 1.00 3.24 H new ATOM 1436 N ARG A 91 8.612 -6.341 6.792 1.00 64.22 N ATOM 1437 CA ARG A 91 9.251 -7.510 6.198 1.00 32.24 C ATOM 1438 C ARG A 91 8.442 -8.773 6.480 1.00 74.25 C ATOM 1439 O ARG A 91 8.976 -9.768 6.972 1.00 52.45 O ATOM 1440 CB ARG A 91 10.672 -7.672 6.740 1.00 30.32 C ATOM 1441 CG ARG A 91 11.489 -6.390 6.700 1.00 22.15 C ATOM 1442 CD ARG A 91 11.923 -5.963 8.094 1.00 42.24 C ATOM 1443 NE ARG A 91 12.558 -4.647 8.090 1.00 72.05 N ATOM 1444 CZ ARG A 91 12.877 -3.982 9.194 1.00 71.13 C ATOM 1445 NH1 ARG A 91 12.624 -4.506 10.384 1.00 30.23 N ATOM 1446 NH2 ARG A 91 13.452 -2.789 9.108 1.00 0.51 N ATOM 0 H ARG A 91 8.300 -5.643 6.117 1.00 64.22 H new ATOM 0 HA ARG A 91 9.296 -7.359 5.119 1.00 32.24 H new ATOM 0 HB2 ARG A 91 10.621 -8.028 7.769 1.00 30.32 H new ATOM 0 HB3 ARG A 91 11.187 -8.439 6.162 1.00 30.32 H new ATOM 0 HG2 ARG A 91 12.368 -6.537 6.073 1.00 22.15 H new ATOM 0 HG3 ARG A 91 10.900 -5.596 6.242 1.00 22.15 H new ATOM 0 HD2 ARG A 91 11.056 -5.945 8.754 1.00 42.24 H new ATOM 0 HD3 ARG A 91 12.617 -6.699 8.499 1.00 42.24 H new ATOM 0 HE ARG A 91 12.768 -4.216 7.190 1.00 72.05 H new ATOM 0 HH11 ARG A 91 12.183 -5.423 10.454 1.00 30.23 H new ATOM 0 HH12 ARG A 91 12.870 -3.993 11.230 1.00 30.23 H new ATOM 0 HH21 ARG A 91 13.649 -2.383 8.193 1.00 0.51 H new ATOM 0 HH22 ARG A 91 13.697 -2.279 9.956 1.00 0.51 H new ATOM 1460 N ILE A 92 7.152 -8.724 6.165 1.00 32.51 N ATOM 1461 CA ILE A 92 6.270 -9.864 6.383 1.00 33.43 C ATOM 1462 C ILE A 92 5.491 -10.207 5.117 1.00 35.35 C ATOM 1463 O ILE A 92 4.985 -9.322 4.429 1.00 55.43 O ATOM 1464 CB ILE A 92 5.275 -9.596 7.527 1.00 53.22 C ATOM 1465 CG1 ILE A 92 6.026 -9.307 8.828 1.00 1.44 C ATOM 1466 CG2 ILE A 92 4.336 -10.780 7.703 1.00 65.24 C ATOM 1467 CD1 ILE A 92 5.122 -8.898 9.970 1.00 15.34 C ATOM 0 H ILE A 92 6.695 -7.908 5.758 1.00 32.51 H new ATOM 0 HA ILE A 92 6.906 -10.706 6.655 1.00 33.43 H new ATOM 0 HB ILE A 92 4.679 -8.720 7.271 1.00 53.22 H new ATOM 0 HG12 ILE A 92 6.587 -10.195 9.119 1.00 1.44 H new ATOM 0 HG13 ILE A 92 6.754 -8.515 8.650 1.00 1.44 H new ATOM 0 HG21 ILE A 92 3.639 -10.574 8.516 1.00 65.24 H new ATOM 0 HG22 ILE A 92 3.779 -10.943 6.780 1.00 65.24 H new ATOM 0 HG23 ILE A 92 4.916 -11.672 7.940 1.00 65.24 H new ATOM 0 HD11 ILE A 92 5.723 -8.709 10.860 1.00 15.34 H new ATOM 0 HD12 ILE A 92 4.580 -7.992 9.699 1.00 15.34 H new ATOM 0 HD13 ILE A 92 4.411 -9.698 10.176 1.00 15.34 H new ATOM 1479 N ASP A 93 5.399 -11.498 4.817 1.00 32.14 N ATOM 1480 CA ASP A 93 4.679 -11.959 3.636 1.00 70.11 C ATOM 1481 C ASP A 93 3.282 -12.446 4.007 1.00 71.14 C ATOM 1482 O ASP A 93 3.127 -13.448 4.706 1.00 14.11 O ATOM 1483 CB ASP A 93 5.456 -13.081 2.945 1.00 45.45 C ATOM 1484 CG ASP A 93 4.991 -13.315 1.521 1.00 74.30 C ATOM 1485 OD1 ASP A 93 3.765 -13.427 1.309 1.00 52.03 O ATOM 1486 OD2 ASP A 93 5.852 -13.387 0.619 1.00 14.11 O ATOM 0 H ASP A 93 5.814 -12.244 5.376 1.00 32.14 H new ATOM 0 HA ASP A 93 4.581 -11.118 2.949 1.00 70.11 H new ATOM 0 HB2 ASP A 93 6.518 -12.835 2.942 1.00 45.45 H new ATOM 0 HB3 ASP A 93 5.344 -14.002 3.517 1.00 45.45 H new ATOM 1491 N VAL A 94 2.266 -11.730 3.534 1.00 71.24 N ATOM 1492 CA VAL A 94 0.881 -12.089 3.815 1.00 5.13 C ATOM 1493 C VAL A 94 0.289 -12.920 2.684 1.00 72.44 C ATOM 1494 O VAL A 94 0.617 -12.721 1.514 1.00 73.23 O ATOM 1495 CB VAL A 94 0.009 -10.837 4.029 1.00 41.42 C ATOM 1496 CG1 VAL A 94 0.611 -9.944 5.102 1.00 2.55 C ATOM 1497 CG2 VAL A 94 -0.158 -10.075 2.722 1.00 30.33 C ATOM 0 H VAL A 94 2.377 -10.898 2.954 1.00 71.24 H new ATOM 0 HA VAL A 94 0.886 -12.680 4.731 1.00 5.13 H new ATOM 0 HB VAL A 94 -0.977 -11.156 4.367 1.00 41.42 H new ATOM 0 HG11 VAL A 94 -0.019 -9.065 5.239 1.00 2.55 H new ATOM 0 HG12 VAL A 94 0.674 -10.495 6.040 1.00 2.55 H new ATOM 0 HG13 VAL A 94 1.610 -9.631 4.797 1.00 2.55 H new ATOM 0 HG21 VAL A 94 -0.777 -9.194 2.891 1.00 30.33 H new ATOM 0 HG22 VAL A 94 0.820 -9.766 2.353 1.00 30.33 H new ATOM 0 HG23 VAL A 94 -0.637 -10.719 1.984 1.00 30.33 H new ATOM 1507 N LYS A 95 -0.588 -13.854 3.039 1.00 62.11 N ATOM 1508 CA LYS A 95 -1.230 -14.717 2.054 1.00 64.12 C ATOM 1509 C LYS A 95 -2.421 -14.015 1.410 1.00 4.52 C ATOM 1510 O LYS A 95 -2.820 -14.348 0.295 1.00 72.44 O ATOM 1511 CB LYS A 95 -1.686 -16.022 2.710 1.00 72.31 C ATOM 1512 CG LYS A 95 -1.154 -17.267 2.023 1.00 44.14 C ATOM 1513 CD LYS A 95 0.078 -17.809 2.729 1.00 70.32 C ATOM 1514 CE LYS A 95 -0.298 -18.644 3.943 1.00 12.05 C ATOM 1515 NZ LYS A 95 0.795 -19.576 4.336 1.00 71.25 N ATOM 0 H LYS A 95 -0.870 -14.032 4.003 1.00 62.11 H new ATOM 0 HA LYS A 95 -0.501 -14.944 1.276 1.00 64.12 H new ATOM 0 HB2 LYS A 95 -1.365 -16.027 3.752 1.00 72.31 H new ATOM 0 HB3 LYS A 95 -2.775 -16.056 2.712 1.00 72.31 H new ATOM 0 HG2 LYS A 95 -1.930 -18.033 2.003 1.00 44.14 H new ATOM 0 HG3 LYS A 95 -0.908 -17.035 0.987 1.00 44.14 H new ATOM 0 HD2 LYS A 95 0.659 -18.416 2.035 1.00 70.32 H new ATOM 0 HD3 LYS A 95 0.715 -16.981 3.039 1.00 70.32 H new ATOM 0 HE2 LYS A 95 -0.531 -17.985 4.779 1.00 12.05 H new ATOM 0 HE3 LYS A 95 -1.201 -19.215 3.726 1.00 12.05 H new ATOM 0 HZ1 LYS A 95 0.499 -20.127 5.167 1.00 71.25 H new ATOM 0 HZ2 LYS A 95 1.000 -20.222 3.547 1.00 71.25 H new ATOM 0 HZ3 LYS A 95 1.650 -19.031 4.568 1.00 71.25 H new ATOM 1529 N ASP A 96 -2.982 -13.042 2.119 1.00 12.51 N ATOM 1530 CA ASP A 96 -4.126 -12.290 1.615 1.00 31.50 C ATOM 1531 C ASP A 96 -4.492 -11.154 2.564 1.00 23.15 C ATOM 1532 O ASP A 96 -3.856 -10.969 3.604 1.00 73.55 O ATOM 1533 CB ASP A 96 -5.327 -13.218 1.422 1.00 1.21 C ATOM 1534 CG ASP A 96 -5.318 -14.384 2.391 1.00 74.35 C ATOM 1535 OD1 ASP A 96 -5.322 -14.139 3.615 1.00 22.54 O ATOM 1536 OD2 ASP A 96 -5.310 -15.542 1.924 1.00 74.15 O ATOM 0 H ASP A 96 -2.664 -12.755 3.045 1.00 12.51 H new ATOM 0 HA ASP A 96 -3.851 -11.859 0.653 1.00 31.50 H new ATOM 0 HB2 ASP A 96 -6.247 -12.648 1.552 1.00 1.21 H new ATOM 0 HB3 ASP A 96 -5.329 -13.598 0.400 1.00 1.21 H new ATOM 1541 N THR A 97 -5.519 -10.394 2.202 1.00 54.11 N ATOM 1542 CA THR A 97 -5.969 -9.275 3.020 1.00 40.03 C ATOM 1543 C THR A 97 -6.571 -9.760 4.333 1.00 22.34 C ATOM 1544 O THR A 97 -6.806 -8.973 5.250 1.00 44.50 O ATOM 1545 CB THR A 97 -7.011 -8.418 2.276 1.00 21.23 C ATOM 1546 OG1 THR A 97 -6.522 -8.070 0.976 1.00 2.43 O ATOM 1547 CG2 THR A 97 -7.329 -7.153 3.059 1.00 13.23 C ATOM 0 H THR A 97 -6.056 -10.533 1.346 1.00 54.11 H new ATOM 0 HA THR A 97 -5.091 -8.665 3.230 1.00 40.03 H new ATOM 0 HB THR A 97 -7.925 -9.004 2.175 1.00 21.23 H new ATOM 0 HG1 THR A 97 -7.257 -8.110 0.329 1.00 2.43 H new ATOM 0 HG21 THR A 97 -8.067 -6.564 2.514 1.00 13.23 H new ATOM 0 HG22 THR A 97 -7.729 -7.421 4.037 1.00 13.23 H new ATOM 0 HG23 THR A 97 -6.419 -6.566 3.188 1.00 13.23 H new ATOM 1555 N LYS A 98 -6.818 -11.062 4.420 1.00 30.51 N ATOM 1556 CA LYS A 98 -7.391 -11.655 5.623 1.00 70.32 C ATOM 1557 C LYS A 98 -6.301 -11.990 6.636 1.00 55.40 C ATOM 1558 O LYS A 98 -6.262 -11.422 7.728 1.00 62.34 O ATOM 1559 CB LYS A 98 -8.178 -12.919 5.268 1.00 3.35 C ATOM 1560 CG LYS A 98 -9.035 -13.442 6.408 1.00 54.34 C ATOM 1561 CD LYS A 98 -10.348 -12.684 6.510 1.00 11.24 C ATOM 1562 CE LYS A 98 -11.242 -13.262 7.597 1.00 41.21 C ATOM 1563 NZ LYS A 98 -10.827 -12.811 8.954 1.00 14.32 N ATOM 0 H LYS A 98 -6.630 -11.728 3.671 1.00 30.51 H new ATOM 0 HA LYS A 98 -8.067 -10.927 6.071 1.00 70.32 H new ATOM 0 HB2 LYS A 98 -8.817 -12.710 4.410 1.00 3.35 H new ATOM 0 HB3 LYS A 98 -7.480 -13.698 4.963 1.00 3.35 H new ATOM 0 HG2 LYS A 98 -9.237 -14.502 6.256 1.00 54.34 H new ATOM 0 HG3 LYS A 98 -8.488 -13.353 7.347 1.00 54.34 H new ATOM 0 HD2 LYS A 98 -10.148 -11.634 6.722 1.00 11.24 H new ATOM 0 HD3 LYS A 98 -10.867 -12.722 5.552 1.00 11.24 H new ATOM 0 HE2 LYS A 98 -12.274 -12.963 7.415 1.00 41.21 H new ATOM 0 HE3 LYS A 98 -11.212 -14.351 7.551 1.00 41.21 H new ATOM 0 HZ1 LYS A 98 -11.460 -13.226 9.667 1.00 14.32 H new ATOM 0 HZ2 LYS A 98 -9.850 -13.118 9.138 1.00 14.32 H new ATOM 0 HZ3 LYS A 98 -10.880 -11.774 9.006 1.00 14.32 H new ATOM 1577 N GLU A 99 -5.418 -12.912 6.267 1.00 30.21 N ATOM 1578 CA GLU A 99 -4.328 -13.320 7.145 1.00 71.21 C ATOM 1579 C GLU A 99 -3.479 -12.120 7.553 1.00 14.55 C ATOM 1580 O GLU A 99 -2.920 -12.085 8.649 1.00 40.15 O ATOM 1581 CB GLU A 99 -3.452 -14.367 6.454 1.00 32.53 C ATOM 1582 CG GLU A 99 -2.357 -14.929 7.347 1.00 53.44 C ATOM 1583 CD GLU A 99 -2.462 -16.431 7.523 1.00 73.42 C ATOM 1584 OE1 GLU A 99 -2.315 -17.159 6.518 1.00 15.54 O ATOM 1585 OE2 GLU A 99 -2.690 -16.880 8.666 1.00 12.41 O ATOM 0 H GLU A 99 -5.436 -13.390 5.366 1.00 30.21 H new ATOM 0 HA GLU A 99 -4.764 -13.757 8.044 1.00 71.21 H new ATOM 0 HB2 GLU A 99 -4.083 -15.186 6.108 1.00 32.53 H new ATOM 0 HB3 GLU A 99 -2.996 -13.921 5.570 1.00 32.53 H new ATOM 0 HG2 GLU A 99 -1.384 -14.684 6.921 1.00 53.44 H new ATOM 0 HG3 GLU A 99 -2.407 -14.448 8.324 1.00 53.44 H new ATOM 1592 N ALA A 100 -3.388 -11.138 6.663 1.00 12.43 N ATOM 1593 CA ALA A 100 -2.610 -9.935 6.930 1.00 45.43 C ATOM 1594 C ALA A 100 -3.185 -9.159 8.110 1.00 1.31 C ATOM 1595 O ALA A 100 -2.472 -8.836 9.061 1.00 74.21 O ATOM 1596 CB ALA A 100 -2.559 -9.052 5.690 1.00 33.33 C ATOM 0 H ALA A 100 -3.844 -11.152 5.750 1.00 12.43 H new ATOM 0 HA ALA A 100 -1.596 -10.239 7.188 1.00 45.43 H new ATOM 0 HB1 ALA A 100 -1.975 -8.157 5.904 1.00 33.33 H new ATOM 0 HB2 ALA A 100 -2.094 -9.601 4.871 1.00 33.33 H new ATOM 0 HB3 ALA A 100 -3.571 -8.765 5.406 1.00 33.33 H new ATOM 1602 N LEU A 101 -4.478 -8.861 8.042 1.00 12.04 N ATOM 1603 CA LEU A 101 -5.150 -8.122 9.106 1.00 43.10 C ATOM 1604 C LEU A 101 -4.929 -8.791 10.458 1.00 33.50 C ATOM 1605 O LEU A 101 -4.514 -8.146 11.421 1.00 34.40 O ATOM 1606 CB LEU A 101 -6.648 -8.017 8.814 1.00 74.12 C ATOM 1607 CG LEU A 101 -7.064 -6.934 7.819 1.00 74.12 C ATOM 1608 CD1 LEU A 101 -8.376 -7.304 7.143 1.00 43.10 C ATOM 1609 CD2 LEU A 101 -7.183 -5.586 8.517 1.00 70.44 C ATOM 0 H LEU A 101 -5.082 -9.120 7.262 1.00 12.04 H new ATOM 0 HA LEU A 101 -4.723 -7.120 9.144 1.00 43.10 H new ATOM 0 HB2 LEU A 101 -6.993 -8.980 8.437 1.00 74.12 H new ATOM 0 HB3 LEU A 101 -7.169 -7.838 9.754 1.00 74.12 H new ATOM 0 HG LEU A 101 -6.293 -6.857 7.052 1.00 74.12 H new ATOM 0 HD11 LEU A 101 -8.656 -6.521 6.438 1.00 43.10 H new ATOM 0 HD12 LEU A 101 -8.257 -8.247 6.609 1.00 43.10 H new ATOM 0 HD13 LEU A 101 -9.156 -7.410 7.897 1.00 43.10 H new ATOM 0 HD21 LEU A 101 -7.480 -4.827 7.794 1.00 70.44 H new ATOM 0 HD22 LEU A 101 -7.933 -5.649 9.305 1.00 70.44 H new ATOM 0 HD23 LEU A 101 -6.221 -5.316 8.953 1.00 70.44 H new ATOM 1621 N ASP A 102 -5.207 -10.090 10.522 1.00 45.43 N ATOM 1622 CA ASP A 102 -5.036 -10.848 11.756 1.00 44.23 C ATOM 1623 C ASP A 102 -3.563 -10.928 12.144 1.00 65.52 C ATOM 1624 O ASP A 102 -3.135 -10.324 13.128 1.00 20.41 O ATOM 1625 CB ASP A 102 -5.612 -12.256 11.598 1.00 42.13 C ATOM 1626 CG ASP A 102 -6.798 -12.502 12.509 1.00 25.13 C ATOM 1627 OD1 ASP A 102 -6.578 -12.840 13.690 1.00 5.54 O ATOM 1628 OD2 ASP A 102 -7.947 -12.357 12.040 1.00 30.55 O ATOM 0 H ASP A 102 -5.551 -10.639 9.734 1.00 45.43 H new ATOM 0 HA ASP A 102 -5.575 -10.330 12.550 1.00 44.23 H new ATOM 0 HB2 ASP A 102 -5.916 -12.407 10.562 1.00 42.13 H new ATOM 0 HB3 ASP A 102 -4.835 -12.990 11.812 1.00 42.13 H new ATOM 1633 N LYS A 103 -2.791 -11.678 11.364 1.00 24.42 N ATOM 1634 CA LYS A 103 -1.365 -11.838 11.626 1.00 61.22 C ATOM 1635 C LYS A 103 -0.779 -10.573 12.244 1.00 35.41 C ATOM 1636 O LYS A 103 -0.057 -10.635 13.239 1.00 41.11 O ATOM 1637 CB LYS A 103 -0.623 -12.176 10.331 1.00 73.01 C ATOM 1638 CG LYS A 103 0.831 -12.557 10.545 1.00 65.44 C ATOM 1639 CD LYS A 103 0.959 -13.923 11.201 1.00 52.34 C ATOM 1640 CE LYS A 103 2.295 -14.075 11.911 1.00 22.51 C ATOM 1641 NZ LYS A 103 2.148 -14.759 13.227 1.00 61.23 N ATOM 0 H LYS A 103 -3.129 -12.184 10.546 1.00 24.42 H new ATOM 0 HA LYS A 103 -1.241 -12.657 12.334 1.00 61.22 H new ATOM 0 HB2 LYS A 103 -1.136 -12.999 9.832 1.00 73.01 H new ATOM 0 HB3 LYS A 103 -0.670 -11.318 9.661 1.00 73.01 H new ATOM 0 HG2 LYS A 103 1.352 -12.562 9.587 1.00 65.44 H new ATOM 0 HG3 LYS A 103 1.317 -11.806 11.168 1.00 65.44 H new ATOM 0 HD2 LYS A 103 0.148 -14.063 11.915 1.00 52.34 H new ATOM 0 HD3 LYS A 103 0.856 -14.702 10.446 1.00 52.34 H new ATOM 0 HE2 LYS A 103 2.979 -14.643 11.281 1.00 22.51 H new ATOM 0 HE3 LYS A 103 2.741 -13.092 12.060 1.00 22.51 H new ATOM 0 HZ1 LYS A 103 3.080 -14.844 13.680 1.00 61.23 H new ATOM 0 HZ2 LYS A 103 1.515 -14.204 13.838 1.00 61.23 H new ATOM 0 HZ3 LYS A 103 1.746 -15.707 13.082 1.00 61.23 H new ATOM 1655 N ILE A 104 -1.098 -9.428 11.651 1.00 61.25 N ATOM 1656 CA ILE A 104 -0.605 -8.148 12.146 1.00 62.43 C ATOM 1657 C ILE A 104 -1.131 -7.862 13.547 1.00 14.23 C ATOM 1658 O ILE A 104 -0.360 -7.741 14.498 1.00 21.31 O ATOM 1659 CB ILE A 104 -1.006 -6.991 11.212 1.00 61.43 C ATOM 1660 CG1 ILE A 104 -0.309 -7.136 9.857 1.00 52.41 C ATOM 1661 CG2 ILE A 104 -0.664 -5.653 11.850 1.00 63.04 C ATOM 1662 CD1 ILE A 104 -0.944 -6.310 8.760 1.00 51.13 C ATOM 0 H ILE A 104 -1.696 -9.360 10.827 1.00 61.25 H new ATOM 0 HA ILE A 104 0.482 -8.219 12.176 1.00 62.43 H new ATOM 0 HB ILE A 104 -2.083 -7.029 11.051 1.00 61.43 H new ATOM 0 HG12 ILE A 104 0.736 -6.844 9.962 1.00 52.41 H new ATOM 0 HG13 ILE A 104 -0.319 -8.185 9.563 1.00 52.41 H new ATOM 0 HG21 ILE A 104 -0.953 -4.845 11.178 1.00 63.04 H new ATOM 0 HG22 ILE A 104 -1.202 -5.551 12.793 1.00 63.04 H new ATOM 0 HG23 ILE A 104 0.409 -5.603 12.037 1.00 63.04 H new ATOM 0 HD11 ILE A 104 -0.399 -6.462 7.828 1.00 51.13 H new ATOM 0 HD12 ILE A 104 -1.981 -6.617 8.627 1.00 51.13 H new ATOM 0 HD13 ILE A 104 -0.910 -5.255 9.033 1.00 51.13 H new ATOM 1674 N GLU A 105 -2.451 -7.755 13.667 1.00 31.52 N ATOM 1675 CA GLU A 105 -3.081 -7.484 14.954 1.00 61.10 C ATOM 1676 C GLU A 105 -2.548 -8.425 16.030 1.00 12.40 C ATOM 1677 O GLU A 105 -2.382 -8.033 17.185 1.00 24.21 O ATOM 1678 CB GLU A 105 -4.601 -7.627 14.843 1.00 42.31 C ATOM 1679 CG GLU A 105 -5.328 -7.432 16.163 1.00 51.42 C ATOM 1680 CD GLU A 105 -6.209 -8.612 16.524 1.00 50.20 C ATOM 1681 OE1 GLU A 105 -5.662 -9.707 16.773 1.00 14.34 O ATOM 1682 OE2 GLU A 105 -7.446 -8.440 16.555 1.00 21.45 O ATOM 0 H GLU A 105 -3.104 -7.852 12.889 1.00 31.52 H new ATOM 0 HA GLU A 105 -2.839 -6.460 15.239 1.00 61.10 H new ATOM 0 HB2 GLU A 105 -4.974 -6.900 14.121 1.00 42.31 H new ATOM 0 HB3 GLU A 105 -4.837 -8.616 14.450 1.00 42.31 H new ATOM 0 HG2 GLU A 105 -4.597 -7.273 16.956 1.00 51.42 H new ATOM 0 HG3 GLU A 105 -5.939 -6.531 16.107 1.00 51.42 H new ATOM 1689 N GLU A 106 -2.283 -9.669 15.642 1.00 22.03 N ATOM 1690 CA GLU A 106 -1.770 -10.666 16.574 1.00 61.20 C ATOM 1691 C GLU A 106 -0.492 -10.174 17.248 1.00 34.32 C ATOM 1692 O GLU A 106 -0.281 -10.398 18.439 1.00 21.52 O ATOM 1693 CB GLU A 106 -1.502 -11.985 15.847 1.00 61.11 C ATOM 1694 CG GLU A 106 -2.230 -13.173 16.452 1.00 35.41 C ATOM 1695 CD GLU A 106 -1.291 -14.301 16.832 1.00 31.43 C ATOM 1696 OE1 GLU A 106 -0.455 -14.099 17.737 1.00 42.45 O ATOM 1697 OE2 GLU A 106 -1.393 -15.388 16.224 1.00 22.54 O ATOM 0 H GLU A 106 -2.415 -10.010 14.690 1.00 22.03 H new ATOM 0 HA GLU A 106 -2.525 -10.830 17.343 1.00 61.20 H new ATOM 0 HB2 GLU A 106 -1.798 -11.881 14.803 1.00 61.11 H new ATOM 0 HB3 GLU A 106 -0.430 -12.184 15.856 1.00 61.11 H new ATOM 0 HG2 GLU A 106 -2.777 -12.847 17.337 1.00 35.41 H new ATOM 0 HG3 GLU A 106 -2.967 -13.543 15.740 1.00 35.41 H new ATOM 1704 N GLU A 107 0.357 -9.504 16.476 1.00 41.32 N ATOM 1705 CA GLU A 107 1.615 -8.983 16.997 1.00 50.40 C ATOM 1706 C GLU A 107 1.363 -7.885 18.027 1.00 31.35 C ATOM 1707 O GLU A 107 2.102 -7.755 19.003 1.00 31.34 O ATOM 1708 CB GLU A 107 2.479 -8.439 15.858 1.00 4.33 C ATOM 1709 CG GLU A 107 3.918 -8.926 15.899 1.00 22.42 C ATOM 1710 CD GLU A 107 4.792 -8.251 14.861 1.00 64.23 C ATOM 1711 OE1 GLU A 107 4.897 -7.007 14.890 1.00 11.44 O ATOM 1712 OE2 GLU A 107 5.374 -8.967 14.019 1.00 11.13 O ATOM 0 H GLU A 107 0.197 -9.309 15.488 1.00 41.32 H new ATOM 0 HA GLU A 107 2.144 -9.802 17.485 1.00 50.40 H new ATOM 0 HB2 GLU A 107 2.034 -8.728 14.906 1.00 4.33 H new ATOM 0 HB3 GLU A 107 2.472 -7.350 15.896 1.00 4.33 H new ATOM 0 HG2 GLU A 107 4.331 -8.743 16.891 1.00 22.42 H new ATOM 0 HG3 GLU A 107 3.937 -10.004 15.739 1.00 22.42 H new ATOM 1719 N GLN A 108 0.316 -7.099 17.802 1.00 54.35 N ATOM 1720 CA GLN A 108 -0.033 -6.012 18.709 1.00 44.51 C ATOM 1721 C GLN A 108 -0.415 -6.552 20.084 1.00 51.45 C ATOM 1722 O GLN A 108 -0.073 -5.964 21.109 1.00 55.03 O ATOM 1723 CB GLN A 108 -1.185 -5.188 18.132 1.00 11.04 C ATOM 1724 CG GLN A 108 -0.729 -4.052 17.232 1.00 53.45 C ATOM 1725 CD GLN A 108 -0.709 -4.442 15.767 1.00 61.53 C ATOM 1726 OE1 GLN A 108 0.055 -5.316 15.356 1.00 31.20 O ATOM 1727 NE2 GLN A 108 -1.551 -3.795 14.969 1.00 43.42 N ATOM 0 H GLN A 108 -0.306 -7.194 16.999 1.00 54.35 H new ATOM 0 HA GLN A 108 0.841 -5.371 18.821 1.00 44.51 H new ATOM 0 HB2 GLN A 108 -1.844 -5.847 17.566 1.00 11.04 H new ATOM 0 HB3 GLN A 108 -1.773 -4.777 18.952 1.00 11.04 H new ATOM 0 HG2 GLN A 108 -1.392 -3.197 17.368 1.00 53.45 H new ATOM 0 HG3 GLN A 108 0.269 -3.733 17.533 1.00 53.45 H new ATOM 0 HE21 GLN A 108 -2.167 -3.078 15.352 1.00 43.42 H new ATOM 0 HE22 GLN A 108 -1.582 -4.016 13.974 1.00 43.42 H new ATOM 1736 N ASN A 109 -1.126 -7.674 20.095 1.00 12.13 N ATOM 1737 CA ASN A 109 -1.557 -8.293 21.344 1.00 30.03 C ATOM 1738 C ASN A 109 -0.357 -8.640 22.221 1.00 52.33 C ATOM 1739 O ASN A 109 -0.329 -8.322 23.410 1.00 74.53 O ATOM 1740 CB ASN A 109 -2.375 -9.554 21.058 1.00 2.31 C ATOM 1741 CG ASN A 109 -3.450 -9.794 22.101 1.00 62.25 C ATOM 1742 OD1 ASN A 109 -4.633 -9.568 21.851 1.00 54.55 O ATOM 1743 ND2 ASN A 109 -3.040 -10.256 23.276 1.00 72.31 N ATOM 0 H ASN A 109 -1.416 -8.173 19.254 1.00 12.13 H new ATOM 0 HA ASN A 109 -2.181 -7.577 21.879 1.00 30.03 H new ATOM 0 HB2 ASN A 109 -2.839 -9.468 20.075 1.00 2.31 H new ATOM 0 HB3 ASN A 109 -1.709 -10.416 21.022 1.00 2.31 H new ATOM 0 HD21 ASN A 109 -3.717 -10.438 24.017 1.00 72.31 H new ATOM 0 HD22 ASN A 109 -2.048 -10.429 23.438 1.00 72.31 H new ATOM 1750 N LYS A 110 0.634 -9.293 21.625 1.00 61.44 N ATOM 1751 CA LYS A 110 1.838 -9.683 22.349 1.00 65.14 C ATOM 1752 C LYS A 110 2.554 -8.460 22.912 1.00 25.02 C ATOM 1753 O LYS A 110 3.184 -8.528 23.967 1.00 24.12 O ATOM 1754 CB LYS A 110 2.782 -10.461 21.429 1.00 31.51 C ATOM 1755 CG LYS A 110 2.679 -11.969 21.586 1.00 13.52 C ATOM 1756 CD LYS A 110 3.954 -12.558 22.166 1.00 64.02 C ATOM 1757 CE LYS A 110 4.881 -13.064 21.071 1.00 42.41 C ATOM 1758 NZ LYS A 110 4.353 -14.295 20.422 1.00 33.40 N ATOM 0 H LYS A 110 0.627 -9.564 20.642 1.00 61.44 H new ATOM 0 HA LYS A 110 1.541 -10.323 23.180 1.00 65.14 H new ATOM 0 HB2 LYS A 110 2.567 -10.196 20.394 1.00 31.51 H new ATOM 0 HB3 LYS A 110 3.808 -10.152 21.630 1.00 31.51 H new ATOM 0 HG2 LYS A 110 1.837 -12.211 22.235 1.00 13.52 H new ATOM 0 HG3 LYS A 110 2.475 -12.424 20.616 1.00 13.52 H new ATOM 0 HD2 LYS A 110 4.468 -11.802 22.760 1.00 64.02 H new ATOM 0 HD3 LYS A 110 3.704 -13.377 22.840 1.00 64.02 H new ATOM 0 HE2 LYS A 110 5.014 -12.286 20.319 1.00 42.41 H new ATOM 0 HE3 LYS A 110 5.864 -13.270 21.494 1.00 42.41 H new ATOM 0 HZ1 LYS A 110 5.126 -14.786 19.928 1.00 33.40 H new ATOM 0 HZ2 LYS A 110 3.950 -14.924 21.146 1.00 33.40 H new ATOM 0 HZ3 LYS A 110 3.613 -14.037 19.738 1.00 33.40 H new ATOM 1772 N SER A 111 2.453 -7.341 22.201 1.00 10.20 N ATOM 1773 CA SER A 111 3.094 -6.103 22.629 1.00 71.41 C ATOM 1774 C SER A 111 2.079 -5.159 23.268 1.00 20.53 C ATOM 1775 O SER A 111 2.179 -3.939 23.136 1.00 72.05 O ATOM 1776 CB SER A 111 3.768 -5.415 21.440 1.00 73.40 C ATOM 1777 OG SER A 111 4.970 -6.075 21.084 1.00 22.51 O ATOM 0 H SER A 111 1.934 -7.267 21.326 1.00 10.20 H new ATOM 0 HA SER A 111 3.851 -6.353 23.372 1.00 71.41 H new ATOM 0 HB2 SER A 111 3.088 -5.406 20.588 1.00 73.40 H new ATOM 0 HB3 SER A 111 3.980 -4.375 21.690 1.00 73.40 H new ATOM 0 HG SER A 111 5.381 -5.617 20.321 1.00 22.51 H new ATOM 1783 N LYS A 112 1.101 -5.733 23.962 1.00 65.42 N ATOM 1784 CA LYS A 112 0.068 -4.947 24.624 1.00 3.40 C ATOM 1785 C LYS A 112 0.331 -4.854 26.124 1.00 63.35 C ATOM 1786 O LYS A 112 0.091 -3.819 26.744 1.00 15.04 O ATOM 1787 CB LYS A 112 -1.310 -5.563 24.373 1.00 2.15 C ATOM 1788 CG LYS A 112 -2.458 -4.591 24.580 1.00 42.24 C ATOM 1789 CD LYS A 112 -3.694 -5.293 25.116 1.00 3.02 C ATOM 1790 CE LYS A 112 -3.528 -5.672 26.580 1.00 43.02 C ATOM 1791 NZ LYS A 112 -4.399 -4.853 27.467 1.00 3.34 N ATOM 0 H LYS A 112 1.003 -6.741 24.080 1.00 65.42 H new ATOM 0 HA LYS A 112 0.090 -3.940 24.207 1.00 3.40 H new ATOM 0 HB2 LYS A 112 -1.348 -5.944 23.353 1.00 2.15 H new ATOM 0 HB3 LYS A 112 -1.444 -6.417 25.038 1.00 2.15 H new ATOM 0 HG2 LYS A 112 -2.153 -3.809 25.275 1.00 42.24 H new ATOM 0 HG3 LYS A 112 -2.697 -4.102 23.635 1.00 42.24 H new ATOM 0 HD2 LYS A 112 -4.561 -4.642 25.003 1.00 3.02 H new ATOM 0 HD3 LYS A 112 -3.889 -6.189 24.527 1.00 3.02 H new ATOM 0 HE2 LYS A 112 -3.766 -6.728 26.711 1.00 43.02 H new ATOM 0 HE3 LYS A 112 -2.486 -5.542 26.873 1.00 43.02 H new ATOM 0 HZ1 LYS A 112 -4.257 -5.142 28.456 1.00 3.34 H new ATOM 0 HZ2 LYS A 112 -4.155 -3.848 27.361 1.00 3.34 H new ATOM 0 HZ3 LYS A 112 -5.395 -4.997 27.204 1.00 3.34 H new ATOM 1805 N LYS A 113 0.827 -5.944 26.700 1.00 3.30 N ATOM 1806 CA LYS A 113 1.125 -5.986 28.127 1.00 60.11 C ATOM 1807 C LYS A 113 2.352 -5.140 28.451 1.00 31.32 C ATOM 1808 O LYS A 113 2.494 -4.635 29.565 1.00 22.31 O ATOM 1809 CB LYS A 113 1.355 -7.430 28.578 1.00 2.05 C ATOM 1810 CG LYS A 113 0.084 -8.261 28.628 1.00 1.35 C ATOM 1811 CD LYS A 113 -0.232 -8.879 27.277 1.00 32.11 C ATOM 1812 CE LYS A 113 -1.423 -9.823 27.361 1.00 4.32 C ATOM 1813 NZ LYS A 113 -1.068 -11.104 28.031 1.00 52.21 N ATOM 0 H LYS A 113 1.031 -6.810 26.201 1.00 3.30 H new ATOM 0 HA LYS A 113 0.270 -5.576 28.664 1.00 60.11 H new ATOM 0 HB2 LYS A 113 2.064 -7.905 27.900 1.00 2.05 H new ATOM 0 HB3 LYS A 113 1.815 -7.424 29.566 1.00 2.05 H new ATOM 0 HG2 LYS A 113 0.193 -9.049 29.373 1.00 1.35 H new ATOM 0 HG3 LYS A 113 -0.749 -7.634 28.946 1.00 1.35 H new ATOM 0 HD2 LYS A 113 -0.442 -8.090 26.555 1.00 32.11 H new ATOM 0 HD3 LYS A 113 0.639 -9.422 26.911 1.00 32.11 H new ATOM 0 HE2 LYS A 113 -2.232 -9.339 27.908 1.00 4.32 H new ATOM 0 HE3 LYS A 113 -1.795 -10.029 26.357 1.00 4.32 H new ATOM 0 HZ1 LYS A 113 -1.880 -11.752 27.993 1.00 52.21 H new ATOM 0 HZ2 LYS A 113 -0.257 -11.537 27.545 1.00 52.21 H new ATOM 0 HZ3 LYS A 113 -0.818 -10.919 29.023 1.00 52.21 H new ATOM 1827 N LYS A 114 3.236 -4.987 27.471 1.00 71.54 N ATOM 1828 CA LYS A 114 4.450 -4.201 27.650 1.00 2.41 C ATOM 1829 C LYS A 114 4.224 -2.750 27.236 1.00 62.13 C ATOM 1830 O LYS A 114 4.869 -1.839 27.754 1.00 10.23 O ATOM 1831 CB LYS A 114 5.597 -4.802 26.835 1.00 4.54 C ATOM 1832 CG LYS A 114 6.039 -6.170 27.325 1.00 45.30 C ATOM 1833 CD LYS A 114 7.553 -6.303 27.320 1.00 72.11 C ATOM 1834 CE LYS A 114 8.008 -7.519 28.111 1.00 24.54 C ATOM 1835 NZ LYS A 114 9.393 -7.931 27.749 1.00 13.30 N ATOM 0 H LYS A 114 3.134 -5.398 26.543 1.00 71.54 H new ATOM 0 HA LYS A 114 4.714 -4.223 28.707 1.00 2.41 H new ATOM 0 HB2 LYS A 114 5.289 -4.881 25.793 1.00 4.54 H new ATOM 0 HB3 LYS A 114 6.448 -4.122 26.865 1.00 4.54 H new ATOM 0 HG2 LYS A 114 5.662 -6.335 28.334 1.00 45.30 H new ATOM 0 HG3 LYS A 114 5.603 -6.943 26.692 1.00 45.30 H new ATOM 0 HD2 LYS A 114 7.909 -6.382 26.293 1.00 72.11 H new ATOM 0 HD3 LYS A 114 8.000 -5.404 27.744 1.00 72.11 H new ATOM 0 HE2 LYS A 114 7.962 -7.296 29.177 1.00 24.54 H new ATOM 0 HE3 LYS A 114 7.324 -8.347 27.929 1.00 24.54 H new ATOM 0 HZ1 LYS A 114 9.666 -8.763 28.310 1.00 13.30 H new ATOM 0 HZ2 LYS A 114 9.431 -8.168 26.737 1.00 13.30 H new ATOM 0 HZ3 LYS A 114 10.050 -7.150 27.947 1.00 13.30 H new ATOM 1849 N ALA A 115 3.303 -2.543 26.300 1.00 3.00 N ATOM 1850 CA ALA A 115 2.990 -1.203 25.819 1.00 21.14 C ATOM 1851 C ALA A 115 1.734 -0.659 26.491 1.00 44.31 C ATOM 1852 O ALA A 115 0.976 0.100 25.887 1.00 23.40 O ATOM 1853 CB ALA A 115 2.821 -1.211 24.307 1.00 24.01 C ATOM 0 H ALA A 115 2.761 -3.286 25.860 1.00 3.00 H new ATOM 0 HA ALA A 115 3.822 -0.547 26.077 1.00 21.14 H new ATOM 0 HB1 ALA A 115 2.588 -0.204 23.962 1.00 24.01 H new ATOM 0 HB2 ALA A 115 3.745 -1.550 23.839 1.00 24.01 H new ATOM 0 HB3 ALA A 115 2.009 -1.885 24.035 1.00 24.01 H new ATOM 1859 N GLN A 116 1.521 -1.051 27.743 1.00 64.14 N ATOM 1860 CA GLN A 116 0.355 -0.603 28.495 1.00 23.12 C ATOM 1861 C GLN A 116 0.711 0.574 29.398 1.00 35.12 C ATOM 1862 O GLN A 116 0.078 0.786 30.433 1.00 64.01 O ATOM 1863 CB GLN A 116 -0.210 -1.751 29.333 1.00 42.43 C ATOM 1864 CG GLN A 116 -1.647 -1.530 29.776 1.00 74.34 C ATOM 1865 CD GLN A 116 -1.852 -1.806 31.252 1.00 52.12 C ATOM 1866 OE1 GLN A 116 -1.471 -2.862 31.757 1.00 10.23 O ATOM 1867 NE2 GLN A 116 -2.458 -0.855 31.954 1.00 42.32 N ATOM 0 H GLN A 116 2.140 -1.677 28.258 1.00 64.14 H new ATOM 0 HA GLN A 116 -0.403 -0.276 27.783 1.00 23.12 H new ATOM 0 HB2 GLN A 116 -0.154 -2.673 28.755 1.00 42.43 H new ATOM 0 HB3 GLN A 116 0.416 -1.889 30.214 1.00 42.43 H new ATOM 0 HG2 GLN A 116 -1.936 -0.502 29.559 1.00 74.34 H new ATOM 0 HG3 GLN A 116 -2.306 -2.175 29.195 1.00 74.34 H new ATOM 0 HE21 GLN A 116 -2.758 0.005 31.495 1.00 42.32 H new ATOM 0 HE22 GLN A 116 -2.624 -0.985 32.952 1.00 42.32 H new ATOM 1876 N GLN A 117 1.724 1.335 28.999 1.00 44.03 N ATOM 1877 CA GLN A 117 2.163 2.490 29.774 1.00 53.40 C ATOM 1878 C GLN A 117 1.895 3.786 29.017 1.00 40.33 C ATOM 1879 O GLN A 117 1.715 4.844 29.621 1.00 33.50 O ATOM 1880 CB GLN A 117 3.653 2.375 30.101 1.00 50.13 C ATOM 1881 CG GLN A 117 3.938 2.171 31.580 1.00 52.44 C ATOM 1882 CD GLN A 117 4.885 3.213 32.141 1.00 12.12 C ATOM 1883 OE1 GLN A 117 4.827 4.386 31.768 1.00 24.13 O ATOM 1884 NE2 GLN A 117 5.763 2.791 33.042 1.00 12.51 N ATOM 0 H GLN A 117 2.256 1.173 28.144 1.00 44.03 H new ATOM 0 HA GLN A 117 1.595 2.509 30.704 1.00 53.40 H new ATOM 0 HB2 GLN A 117 4.076 1.542 29.540 1.00 50.13 H new ATOM 0 HB3 GLN A 117 4.161 3.278 29.763 1.00 50.13 H new ATOM 0 HG2 GLN A 117 3.000 2.202 32.134 1.00 52.44 H new ATOM 0 HG3 GLN A 117 4.365 1.179 31.730 1.00 52.44 H new ATOM 0 HE21 GLN A 117 5.775 1.810 33.322 1.00 12.51 H new ATOM 0 HE22 GLN A 117 6.425 3.447 33.455 1.00 12.51 H new ATOM 1893 N ALA A 118 1.870 3.698 27.691 1.00 13.05 N ATOM 1894 CA ALA A 118 1.622 4.864 26.853 1.00 41.54 C ATOM 1895 C ALA A 118 0.130 5.048 26.595 1.00 61.31 C ATOM 1896 O ALA A 118 -0.407 6.144 26.755 1.00 74.21 O ATOM 1897 CB ALA A 118 2.374 4.738 25.537 1.00 63.51 C ATOM 0 H ALA A 118 2.019 2.831 27.174 1.00 13.05 H new ATOM 0 HA ALA A 118 1.984 5.745 27.384 1.00 41.54 H new ATOM 0 HB1 ALA A 118 2.179 5.616 24.921 1.00 63.51 H new ATOM 0 HB2 ALA A 118 3.443 4.663 25.735 1.00 63.51 H new ATOM 0 HB3 ALA A 118 2.039 3.844 25.011 1.00 63.51 H new ATOM 1903 N ALA A 119 -0.534 3.968 26.194 1.00 53.13 N ATOM 1904 CA ALA A 119 -1.964 4.010 25.915 1.00 41.41 C ATOM 1905 C ALA A 119 -2.775 3.980 27.205 1.00 15.04 C ATOM 1906 O ALA A 119 -3.495 3.018 27.474 1.00 60.10 O ATOM 1907 CB ALA A 119 -2.360 2.852 25.012 1.00 30.13 C ATOM 0 H ALA A 119 -0.104 3.054 26.055 1.00 53.13 H new ATOM 0 HA ALA A 119 -2.182 4.946 25.401 1.00 41.41 H new ATOM 0 HB1 ALA A 119 -3.431 2.896 24.812 1.00 30.13 H new ATOM 0 HB2 ALA A 119 -1.812 2.920 24.072 1.00 30.13 H new ATOM 0 HB3 ALA A 119 -2.121 1.909 25.504 1.00 30.13 H new ATOM 1913 N ALA A 120 -2.655 5.038 28.001 1.00 32.51 N ATOM 1914 CA ALA A 120 -3.379 5.131 29.263 1.00 51.45 C ATOM 1915 C ALA A 120 -3.206 6.509 29.893 1.00 22.03 C ATOM 1916 O ALA A 120 -3.047 6.631 31.108 1.00 63.13 O ATOM 1917 CB ALA A 120 -2.910 4.047 30.221 1.00 13.52 C ATOM 0 H ALA A 120 -2.063 5.843 27.794 1.00 32.51 H new ATOM 0 HA ALA A 120 -4.439 4.984 29.058 1.00 51.45 H new ATOM 0 HB1 ALA A 120 -3.459 4.128 31.159 1.00 13.52 H new ATOM 0 HB2 ALA A 120 -3.091 3.067 29.779 1.00 13.52 H new ATOM 0 HB3 ALA A 120 -1.844 4.167 30.413 1.00 13.52 H new ATOM 1923 N ASP A 121 -3.238 7.544 29.061 1.00 1.21 N ATOM 1924 CA ASP A 121 -3.086 8.914 29.537 1.00 23.11 C ATOM 1925 C ASP A 121 -3.807 9.893 28.616 1.00 2.35 C ATOM 1926 O ASP A 121 -3.236 10.897 28.191 1.00 52.42 O ATOM 1927 CB ASP A 121 -1.604 9.281 29.634 1.00 74.13 C ATOM 1928 CG ASP A 121 -0.907 8.578 30.782 1.00 52.32 C ATOM 1929 OD1 ASP A 121 -1.226 8.889 31.948 1.00 23.02 O ATOM 1930 OD2 ASP A 121 -0.041 7.718 30.514 1.00 51.31 O ATOM 0 H ASP A 121 -3.368 7.460 28.053 1.00 1.21 H new ATOM 0 HA ASP A 121 -3.534 8.980 30.528 1.00 23.11 H new ATOM 0 HB2 ASP A 121 -1.107 9.023 28.699 1.00 74.13 H new ATOM 0 HB3 ASP A 121 -1.507 10.359 29.760 1.00 74.13 H new ATOM 1935 N THR A 122 -5.066 9.593 28.310 1.00 22.32 N ATOM 1936 CA THR A 122 -5.864 10.445 27.438 1.00 32.21 C ATOM 1937 C THR A 122 -6.420 11.642 28.199 1.00 11.34 C ATOM 1938 O THR A 122 -6.679 11.562 29.399 1.00 12.23 O ATOM 1939 CB THR A 122 -7.032 9.664 26.807 1.00 22.11 C ATOM 1940 OG1 THR A 122 -7.782 8.994 27.826 1.00 24.23 O ATOM 1941 CG2 THR A 122 -6.521 8.649 25.795 1.00 1.03 C ATOM 0 H THR A 122 -5.554 8.766 28.654 1.00 22.32 H new ATOM 0 HA THR A 122 -5.202 10.797 26.647 1.00 32.21 H new ATOM 0 HB THR A 122 -7.677 10.375 26.291 1.00 22.11 H new ATOM 0 HG1 THR A 122 -8.523 8.501 27.416 1.00 24.23 H new ATOM 0 HG21 THR A 122 -7.364 8.110 25.363 1.00 1.03 H new ATOM 0 HG22 THR A 122 -5.977 9.166 25.004 1.00 1.03 H new ATOM 0 HG23 THR A 122 -5.855 7.943 26.292 1.00 1.03 H new ATOM 1949 N GLY A 123 -6.604 12.754 27.492 1.00 24.43 N ATOM 1950 CA GLY A 123 -7.129 13.953 28.118 1.00 32.44 C ATOM 1951 C GLY A 123 -6.534 15.220 27.536 1.00 42.14 C ATOM 1952 O GLY A 123 -7.126 15.844 26.656 1.00 1.12 O ATOM 0 H GLY A 123 -6.399 12.845 26.497 1.00 24.43 H new ATOM 0 HA2 GLY A 123 -8.212 13.976 27.999 1.00 32.44 H new ATOM 0 HA3 GLY A 123 -6.926 13.919 29.188 1.00 32.44 H new ATOM 1956 N ASN A 124 -5.360 15.602 28.028 1.00 21.34 N ATOM 1957 CA ASN A 124 -4.686 16.804 27.553 1.00 75.34 C ATOM 1958 C ASN A 124 -3.246 16.855 28.056 1.00 50.03 C ATOM 1959 O ASN A 124 -2.816 15.998 28.826 1.00 62.24 O ATOM 1960 CB ASN A 124 -5.442 18.052 28.010 1.00 52.42 C ATOM 1961 CG ASN A 124 -5.804 18.004 29.482 1.00 74.52 C ATOM 1962 OD1 ASN A 124 -4.934 17.868 30.341 1.00 35.32 O ATOM 1963 ND2 ASN A 124 -7.094 18.114 29.778 1.00 5.21 N ATOM 0 H ASN A 124 -4.856 15.096 28.756 1.00 21.34 H new ATOM 0 HA ASN A 124 -4.671 16.775 26.463 1.00 75.34 H new ATOM 0 HB2 ASN A 124 -4.831 18.934 27.818 1.00 52.42 H new ATOM 0 HB3 ASN A 124 -6.351 18.159 27.419 1.00 52.42 H new ATOM 0 HD21 ASN A 124 -7.398 18.087 30.751 1.00 5.21 H new ATOM 0 HD22 ASN A 124 -7.781 18.225 29.032 1.00 5.21 H new ATOM 1970 N ASN A 125 -2.507 17.868 27.614 1.00 34.35 N ATOM 1971 CA ASN A 125 -1.116 18.032 28.020 1.00 5.22 C ATOM 1972 C ASN A 125 -0.651 19.469 27.801 1.00 51.03 C ATOM 1973 O ASN A 125 -1.178 20.178 26.945 1.00 52.23 O ATOM 1974 CB ASN A 125 -0.219 17.070 27.239 1.00 73.31 C ATOM 1975 CG ASN A 125 -0.675 16.889 25.805 1.00 73.32 C ATOM 1976 OD1 ASN A 125 -1.369 15.925 25.479 1.00 63.41 O ATOM 1977 ND2 ASN A 125 -0.287 17.818 24.938 1.00 33.33 N ATOM 0 H ASN A 125 -2.848 18.587 26.975 1.00 34.35 H new ATOM 0 HA ASN A 125 -1.044 17.804 29.083 1.00 5.22 H new ATOM 0 HB2 ASN A 125 0.805 17.445 27.247 1.00 73.31 H new ATOM 0 HB3 ASN A 125 -0.208 16.101 27.739 1.00 73.31 H new ATOM 0 HD21 ASN A 125 -0.564 17.749 23.959 1.00 33.33 H new ATOM 0 HD22 ASN A 125 0.288 18.600 25.252 1.00 33.33 H new ATOM 1984 N SER A 126 0.340 19.890 28.580 1.00 21.32 N ATOM 1985 CA SER A 126 0.874 21.242 28.474 1.00 52.40 C ATOM 1986 C SER A 126 -0.210 22.278 28.755 1.00 72.13 C ATOM 1987 O SER A 126 -0.152 23.402 28.259 1.00 53.44 O ATOM 1988 CB SER A 126 1.465 21.472 27.082 1.00 62.13 C ATOM 1989 OG SER A 126 2.450 20.500 26.779 1.00 24.54 O ATOM 0 H SER A 126 0.789 19.314 29.292 1.00 21.32 H new ATOM 0 HA SER A 126 1.662 21.354 29.219 1.00 52.40 H new ATOM 0 HB2 SER A 126 0.671 21.435 26.336 1.00 62.13 H new ATOM 0 HB3 SER A 126 1.905 22.468 27.030 1.00 62.13 H new ATOM 0 HG SER A 126 2.811 20.668 25.883 1.00 24.54 H new ATOM 1995 N GLN A 127 -1.198 21.889 29.555 1.00 53.12 N ATOM 1996 CA GLN A 127 -2.296 22.784 29.902 1.00 33.53 C ATOM 1997 C GLN A 127 -1.835 23.856 30.883 1.00 32.21 C ATOM 1998 O GLN A 127 -0.756 23.756 31.466 1.00 4.15 O ATOM 1999 CB GLN A 127 -3.458 21.989 30.504 1.00 43.43 C ATOM 2000 CG GLN A 127 -3.073 21.191 31.739 1.00 64.32 C ATOM 2001 CD GLN A 127 -4.206 21.081 32.739 1.00 15.45 C ATOM 2002 OE1 GLN A 127 -4.913 22.055 33.002 1.00 2.22 O ATOM 2003 NE2 GLN A 127 -4.385 19.894 33.304 1.00 60.33 N ATOM 0 H GLN A 127 -1.261 20.961 29.974 1.00 53.12 H new ATOM 0 HA GLN A 127 -2.635 23.275 28.990 1.00 33.53 H new ATOM 0 HB2 GLN A 127 -4.263 22.677 30.762 1.00 43.43 H new ATOM 0 HB3 GLN A 127 -3.851 21.308 29.749 1.00 43.43 H new ATOM 0 HG2 GLN A 127 -2.761 20.191 31.438 1.00 64.32 H new ATOM 0 HG3 GLN A 127 -2.215 21.662 32.218 1.00 64.32 H new ATOM 0 HE21 GLN A 127 -3.776 19.114 33.057 1.00 60.33 H new ATOM 0 HE22 GLN A 127 -5.132 19.761 33.986 1.00 60.33 H new ATOM 2012 N VAL A 128 -2.661 24.882 31.061 1.00 14.51 N ATOM 2013 CA VAL A 128 -2.338 25.974 31.972 1.00 34.11 C ATOM 2014 C VAL A 128 -3.575 26.435 32.736 1.00 21.44 C ATOM 2015 O VAL A 128 -4.705 26.229 32.293 1.00 5.53 O ATOM 2016 CB VAL A 128 -1.737 27.176 31.219 1.00 75.14 C ATOM 2017 CG1 VAL A 128 -0.311 26.874 30.785 1.00 63.34 C ATOM 2018 CG2 VAL A 128 -2.602 27.540 30.021 1.00 72.21 C ATOM 0 H VAL A 128 -3.559 24.980 30.587 1.00 14.51 H new ATOM 0 HA VAL A 128 -1.600 25.590 32.676 1.00 34.11 H new ATOM 0 HB VAL A 128 -1.713 28.031 31.894 1.00 75.14 H new ATOM 0 HG11 VAL A 128 0.098 27.734 30.255 1.00 63.34 H new ATOM 0 HG12 VAL A 128 0.300 26.665 31.663 1.00 63.34 H new ATOM 0 HG13 VAL A 128 -0.307 26.006 30.126 1.00 63.34 H new ATOM 0 HG21 VAL A 128 -2.163 28.391 29.500 1.00 72.21 H new ATOM 0 HG22 VAL A 128 -2.659 26.689 29.342 1.00 72.21 H new ATOM 0 HG23 VAL A 128 -3.604 27.801 30.362 1.00 72.21 H new ATOM 2028 N SER A 129 -3.352 27.059 33.889 1.00 32.00 N ATOM 2029 CA SER A 129 -4.447 27.547 34.718 1.00 35.23 C ATOM 2030 C SER A 129 -5.343 28.499 33.931 1.00 72.10 C ATOM 2031 O SER A 129 -4.914 29.097 32.944 1.00 25.42 O ATOM 2032 CB SER A 129 -3.900 28.253 35.961 1.00 53.14 C ATOM 2033 OG SER A 129 -3.596 27.321 36.983 1.00 23.14 O ATOM 0 H SER A 129 -2.423 27.238 34.270 1.00 32.00 H new ATOM 0 HA SER A 129 -5.043 26.689 35.029 1.00 35.23 H new ATOM 0 HB2 SER A 129 -3.004 28.816 35.699 1.00 53.14 H new ATOM 0 HB3 SER A 129 -4.633 28.973 36.327 1.00 53.14 H new ATOM 0 HG SER A 129 -3.247 27.796 37.766 1.00 23.14 H new ATOM 2039 N GLN A 130 -6.588 28.634 34.375 1.00 53.12 N ATOM 2040 CA GLN A 130 -7.545 29.513 33.711 1.00 24.45 C ATOM 2041 C GLN A 130 -7.921 30.685 34.612 1.00 52.03 C ATOM 2042 O GLN A 130 -7.567 30.715 35.790 1.00 64.11 O ATOM 2043 CB GLN A 130 -8.799 28.732 33.319 1.00 74.13 C ATOM 2044 CG GLN A 130 -9.422 27.961 34.472 1.00 23.54 C ATOM 2045 CD GLN A 130 -10.562 27.065 34.027 1.00 42.10 C ATOM 2046 OE1 GLN A 130 -10.604 26.618 32.881 1.00 61.44 O ATOM 2047 NE2 GLN A 130 -11.493 26.799 34.935 1.00 71.41 N ATOM 0 H GLN A 130 -6.958 28.147 35.191 1.00 53.12 H new ATOM 0 HA GLN A 130 -7.075 29.907 32.810 1.00 24.45 H new ATOM 0 HB2 GLN A 130 -9.537 29.425 32.916 1.00 74.13 H new ATOM 0 HB3 GLN A 130 -8.547 28.034 32.520 1.00 74.13 H new ATOM 0 HG2 GLN A 130 -8.656 27.355 34.955 1.00 23.54 H new ATOM 0 HG3 GLN A 130 -9.789 28.665 35.219 1.00 23.54 H new ATOM 0 HE21 GLN A 130 -11.417 27.192 35.873 1.00 71.41 H new ATOM 0 HE22 GLN A 130 -12.284 26.202 34.694 1.00 71.41 H new ATOM 2056 N ASN A 131 -8.642 31.650 34.048 1.00 23.53 N ATOM 2057 CA ASN A 131 -9.065 32.825 34.800 1.00 11.52 C ATOM 2058 C ASN A 131 -10.268 32.502 35.682 1.00 5.43 C ATOM 2059 O ASN A 131 -10.725 31.360 35.732 1.00 63.30 O ATOM 2060 CB ASN A 131 -9.412 33.969 33.845 1.00 60.33 C ATOM 2061 CG ASN A 131 -10.327 33.526 32.720 1.00 35.34 C ATOM 2062 OD1 ASN A 131 -9.869 33.037 31.688 1.00 54.34 O ATOM 2063 ND2 ASN A 131 -11.630 33.696 32.916 1.00 23.14 N ATOM 0 H ASN A 131 -8.945 31.641 33.074 1.00 23.53 H new ATOM 0 HA ASN A 131 -8.239 33.133 35.441 1.00 11.52 H new ATOM 0 HB2 ASN A 131 -9.891 34.773 34.404 1.00 60.33 H new ATOM 0 HB3 ASN A 131 -8.494 34.378 33.423 1.00 60.33 H new ATOM 0 HD21 ASN A 131 -12.295 33.417 32.195 1.00 23.14 H new ATOM 0 HD22 ASN A 131 -11.965 34.106 33.788 1.00 23.14 H new ATOM 2070 N TYR A 132 -10.774 33.516 36.375 1.00 75.04 N ATOM 2071 CA TYR A 132 -11.922 33.340 37.256 1.00 15.41 C ATOM 2072 C TYR A 132 -11.660 32.240 38.281 1.00 63.31 C ATOM 2073 O TYR A 132 -11.210 32.509 39.394 1.00 53.05 O ATOM 2074 CB TYR A 132 -13.173 33.004 36.440 1.00 3.13 C ATOM 2075 CG TYR A 132 -14.465 33.221 37.195 1.00 61.12 C ATOM 2076 CD1 TYR A 132 -14.924 34.503 37.471 1.00 71.23 C ATOM 2077 CD2 TYR A 132 -15.226 32.144 37.632 1.00 13.14 C ATOM 2078 CE1 TYR A 132 -16.103 34.706 38.161 1.00 11.21 C ATOM 2079 CE2 TYR A 132 -16.408 32.338 38.321 1.00 1.31 C ATOM 2080 CZ TYR A 132 -16.842 33.621 38.584 1.00 62.41 C ATOM 2081 OH TYR A 132 -18.017 33.818 39.270 1.00 33.42 O ATOM 0 H TYR A 132 -10.408 34.467 36.344 1.00 75.04 H new ATOM 0 HA TYR A 132 -12.084 34.277 37.789 1.00 15.41 H new ATOM 0 HB2 TYR A 132 -13.183 33.615 35.537 1.00 3.13 H new ATOM 0 HB3 TYR A 132 -13.119 31.963 36.120 1.00 3.13 H new ATOM 0 HD1 TYR A 132 -14.349 35.355 37.140 1.00 71.23 H new ATOM 0 HD2 TYR A 132 -14.888 31.138 37.430 1.00 13.14 H new ATOM 0 HE1 TYR A 132 -16.445 35.709 38.368 1.00 11.21 H new ATOM 0 HE2 TYR A 132 -16.989 31.490 38.652 1.00 1.31 H new ATOM 0 HH TYR A 132 -18.414 32.951 39.494 1.00 33.42 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 0.695 7.702 -6.898 1.00 50.24 C HETATM 2093 O1 MYR A 1 0.971 6.712 -7.574 1.00 61.51 O HETATM 2094 C2 MYR A 1 0.748 7.580 -5.375 1.00 33.35 C HETATM 2095 C3 MYR A 1 2.174 7.579 -4.779 1.00 21.34 C HETATM 2096 C4 MYR A 1 2.487 8.881 -4.021 1.00 1.44 C HETATM 2097 C5 MYR A 1 1.869 8.896 -2.610 1.00 51.01 C HETATM 2098 C6 MYR A 1 2.908 9.228 -1.522 1.00 41.31 C HETATM 2099 C7 MYR A 1 2.752 8.337 -0.276 1.00 23.43 C HETATM 2100 C8 MYR A 1 3.767 7.178 -0.259 1.00 15.05 C HETATM 2101 C9 MYR A 1 3.325 6.003 -1.151 1.00 31.35 C HETATM 2102 C10 MYR A 1 3.882 4.652 -0.657 1.00 2.22 C HETATM 2103 C11 MYR A 1 3.042 3.427 -1.074 1.00 21.40 C HETATM 2104 C12 MYR A 1 2.093 2.904 0.024 1.00 12.11 C HETATM 2105 C13 MYR A 1 0.835 2.239 -0.561 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.953 0.709 -0.577 1.00 14.12 C HETATM 0 H143 MYR A 1 1.808 0.416 -1.186 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.090 0.344 0.441 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.044 0.278 -0.997 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.036 2.530 0.026 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.671 2.601 -1.576 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.624 2.186 0.648 1.00 12.11 H new HETATM 0 H121 MYR A 1 1.797 3.731 0.670 1.00 12.11 H new HETATM 0 H112 MYR A 1 2.453 3.688 -1.953 1.00 21.40 H new HETATM 0 H111 MYR A 1 3.716 2.623 -1.369 1.00 21.40 H new HETATM 0 H102 MYR A 1 4.896 4.529 -1.038 1.00 2.22 H new HETATM 0 H101 MYR A 1 3.951 4.677 0.431 1.00 2.22 H new HETATM 0 H92 MYR A 1 2.236 5.958 -1.175 1.00 31.35 H new HETATM 0 H91 MYR A 1 3.660 6.180 -2.173 1.00 31.35 H new HETATM 0 H82 MYR A 1 4.737 7.542 -0.596 1.00 15.05 H new HETATM 0 H81 MYR A 1 3.897 6.826 0.764 1.00 15.05 H new HETATM 0 H72 MYR A 1 2.880 8.943 0.621 1.00 23.43 H new HETATM 0 H71 MYR A 1 1.740 7.932 -0.245 1.00 23.43 H new HETATM 0 H62 MYR A 1 3.911 9.105 -1.931 1.00 41.31 H new HETATM 0 H61 MYR A 1 2.807 10.274 -1.233 1.00 41.31 H new HETATM 0 H52 MYR A 1 1.063 9.629 -2.576 1.00 51.01 H new HETATM 0 H51 MYR A 1 1.424 7.923 -2.400 1.00 51.01 H new HETATM 0 H42 MYR A 1 3.567 9.004 -3.944 1.00 1.44 H new HETATM 0 H41 MYR A 1 2.109 9.730 -4.590 1.00 1.44 H new HETATM 0 H32 MYR A 1 2.283 6.731 -4.102 1.00 21.34 H new HETATM 0 H31 MYR A 1 2.901 7.443 -5.580 1.00 21.34 H new HETATM 0 H22 MYR A 1 0.186 8.405 -4.938 1.00 33.35 H new HETATM 0 H21 MYR A 1 0.244 6.660 -5.080 1.00 33.35 H new