USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 TYR OH : rot 30:sc= 0.719 USER MOD Set 1.2: A 114 THR OG1 : rot 136:sc= 1.76 USER MOD Set 2.1: A 85 TYR OH : rot 121:sc= 0.236 USER MOD Set 2.2: A 93 TYR OH : rot -88:sc= 1.32 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -128:sc= -0.316 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= -4.55! C(o=-4.9!,f=-6!) USER MOD Set 4.1: A 40 GLN : amide:sc= -1.18 K(o=-0.95,f=-6.8!) USER MOD Set 4.2: A 75 TYR OH : rot 23:sc= 0.224 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.0437 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 27 ASN : amide:sc= 0.0858 X(o=0.17,f=0) USER MOD Set 6.2: A 80 GLN : amide:sc= 0.082 X(o=0.17,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= -2.19 (180deg=-5.2!) USER MOD Single : A 6 ASN : amide:sc= -4.6 K(o=-4.6,f=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0727) USER MOD Single : A 36 TYR OH : rot 175:sc= 0.128 USER MOD Single : A 38 MET CE :methyl -179:sc= -4.73 (180deg=-4.73) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -80:sc=-0.00151 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 0.421 (180deg=0.146) USER MOD Single : A 72 GLN : amide:sc= -0.0632 K(o=-0.063,f=-4.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -0.791 X(o=-0.79,f=-0.31) USER MOD Single : A 77 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-0.093) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.6) USER MOD Single : A 102 SER OG : rot -88:sc= 0.247 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -31:sc= 0.099 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 124 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 125 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.053) USER MOD Single : A 127 GLN : amide:sc= -0.0672 K(o=-0.067,f=-0.89) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.967 3.861 -2.689 1.00 41.03 N ATOM 2 CA MET A 1 -7.981 4.872 -3.053 1.00 51.22 C ATOM 3 C MET A 1 -6.872 4.951 -2.009 1.00 12.12 C ATOM 4 O MET A 1 -6.231 5.989 -1.848 1.00 13.22 O ATOM 5 CB MET A 1 -8.653 6.238 -3.205 1.00 43.41 C ATOM 6 CG MET A 1 -9.689 6.286 -4.316 1.00 50.02 C ATOM 7 SD MET A 1 -10.035 7.966 -4.872 1.00 13.14 S ATOM 8 CE MET A 1 -8.822 8.148 -6.176 1.00 42.24 C ATOM 0 H1 MET A 1 -8.989 3.120 -3.418 1.00 41.03 H new ATOM 0 H2 MET A 1 -8.710 3.439 -1.774 1.00 41.03 H new ATOM 0 H3 MET A 1 -9.906 4.302 -2.615 1.00 41.03 H new ATOM 0 HA MET A 1 -7.538 4.585 -4.006 1.00 51.22 H new ATOM 0 HB2 MET A 1 -9.131 6.506 -2.262 1.00 43.41 H new ATOM 0 HB3 MET A 1 -7.888 6.990 -3.400 1.00 43.41 H new ATOM 0 HG2 MET A 1 -9.338 5.693 -5.161 1.00 50.02 H new ATOM 0 HG3 MET A 1 -10.613 5.826 -3.966 1.00 50.02 H new ATOM 0 HE1 MET A 1 -8.910 9.140 -6.619 1.00 42.24 H new ATOM 0 HE2 MET A 1 -7.821 8.024 -5.762 1.00 42.24 H new ATOM 0 HE3 MET A 1 -8.995 7.392 -6.942 1.00 42.24 H new ATOM 18 N ALA A 2 -6.652 3.848 -1.302 1.00 22.42 N ATOM 19 CA ALA A 2 -5.619 3.792 -0.274 1.00 53.13 C ATOM 20 C ALA A 2 -4.227 3.893 -0.889 1.00 34.32 C ATOM 21 O ALA A 2 -3.986 3.396 -1.990 1.00 12.10 O ATOM 22 CB ALA A 2 -5.749 2.511 0.536 1.00 73.21 C ATOM 0 H ALA A 2 -7.175 2.981 -1.422 1.00 22.42 H new ATOM 0 HA ALA A 2 -5.756 4.644 0.391 1.00 53.13 H new ATOM 0 HB1 ALA A 2 -4.972 2.483 1.299 1.00 73.21 H new ATOM 0 HB2 ALA A 2 -6.728 2.480 1.014 1.00 73.21 H new ATOM 0 HB3 ALA A 2 -5.641 1.650 -0.124 1.00 73.21 H new ATOM 28 N LEU A 3 -3.315 4.538 -0.172 1.00 5.54 N ATOM 29 CA LEU A 3 -1.945 4.705 -0.647 1.00 34.01 C ATOM 30 C LEU A 3 -0.961 4.711 0.518 1.00 33.15 C ATOM 31 O LEU A 3 -0.027 5.512 0.551 1.00 11.10 O ATOM 32 CB LEU A 3 -1.816 6.004 -1.445 1.00 71.51 C ATOM 33 CG LEU A 3 -2.576 7.210 -0.892 1.00 60.31 C ATOM 34 CD1 LEU A 3 -2.008 7.626 0.456 1.00 42.54 C ATOM 35 CD2 LEU A 3 -2.525 8.369 -1.876 1.00 43.32 C ATOM 0 H LEU A 3 -3.498 4.954 0.741 1.00 5.54 H new ATOM 0 HA LEU A 3 -1.706 3.862 -1.295 1.00 34.01 H new ATOM 0 HB2 LEU A 3 -0.759 6.264 -1.509 1.00 71.51 H new ATOM 0 HB3 LEU A 3 -2.161 5.818 -2.462 1.00 71.51 H new ATOM 0 HG LEU A 3 -3.619 6.925 -0.751 1.00 60.31 H new ATOM 0 HD11 LEU A 3 -2.561 8.486 0.834 1.00 42.54 H new ATOM 0 HD12 LEU A 3 -2.098 6.798 1.160 1.00 42.54 H new ATOM 0 HD13 LEU A 3 -0.957 7.892 0.342 1.00 42.54 H new ATOM 0 HD21 LEU A 3 -3.071 9.219 -1.466 1.00 43.32 H new ATOM 0 HD22 LEU A 3 -1.487 8.654 -2.049 1.00 43.32 H new ATOM 0 HD23 LEU A 3 -2.980 8.066 -2.819 1.00 43.32 H new ATOM 47 N ASP A 4 -1.176 3.811 1.472 1.00 52.21 N ATOM 48 CA ASP A 4 -0.306 3.710 2.638 1.00 14.30 C ATOM 49 C ASP A 4 -0.317 5.009 3.438 1.00 51.20 C ATOM 50 O ASP A 4 0.624 5.305 4.173 1.00 25.53 O ATOM 51 CB ASP A 4 1.122 3.374 2.208 1.00 62.43 C ATOM 52 CG ASP A 4 1.773 2.346 3.113 1.00 55.01 C ATOM 53 OD1 ASP A 4 1.893 2.615 4.327 1.00 52.44 O ATOM 54 OD2 ASP A 4 2.160 1.272 2.608 1.00 45.01 O ATOM 0 H ASP A 4 -1.945 3.141 1.461 1.00 52.21 H new ATOM 0 HA ASP A 4 -0.683 2.909 3.274 1.00 14.30 H new ATOM 0 HB2 ASP A 4 1.111 2.998 1.185 1.00 62.43 H new ATOM 0 HB3 ASP A 4 1.722 4.284 2.207 1.00 62.43 H new ATOM 59 N ALA A 5 -1.388 5.782 3.288 1.00 31.42 N ATOM 60 CA ALA A 5 -1.522 7.048 3.997 1.00 4.21 C ATOM 61 C ALA A 5 -2.948 7.581 3.906 1.00 64.14 C ATOM 62 O ALA A 5 -3.209 8.565 3.215 1.00 75.40 O ATOM 63 CB ALA A 5 -0.538 8.069 3.444 1.00 74.04 C ATOM 0 H ALA A 5 -2.175 5.553 2.681 1.00 31.42 H new ATOM 0 HA ALA A 5 -1.295 6.873 5.049 1.00 4.21 H new ATOM 0 HB1 ALA A 5 -0.649 9.010 3.983 1.00 74.04 H new ATOM 0 HB2 ALA A 5 0.479 7.698 3.568 1.00 74.04 H new ATOM 0 HB3 ALA A 5 -0.739 8.231 2.385 1.00 74.04 H new ATOM 69 N ASN A 6 -3.866 6.924 4.606 1.00 21.35 N ATOM 70 CA ASN A 6 -5.266 7.331 4.603 1.00 13.00 C ATOM 71 C ASN A 6 -6.101 6.416 5.493 1.00 33.51 C ATOM 72 O ASN A 6 -5.589 5.454 6.067 1.00 42.41 O ATOM 73 CB ASN A 6 -5.819 7.317 3.177 1.00 55.34 C ATOM 74 CG ASN A 6 -5.197 6.227 2.325 1.00 2.55 C ATOM 75 OD1 ASN A 6 -4.620 6.500 1.272 1.00 13.14 O ATOM 76 ND2 ASN A 6 -5.311 4.985 2.779 1.00 32.33 N ATOM 0 H ASN A 6 -3.666 6.107 5.183 1.00 21.35 H new ATOM 0 HA ASN A 6 -5.325 8.345 4.999 1.00 13.00 H new ATOM 0 HB2 ASN A 6 -6.899 7.176 3.211 1.00 55.34 H new ATOM 0 HB3 ASN A 6 -5.639 8.286 2.711 1.00 55.34 H new ATOM 0 HD21 ASN A 6 -4.912 4.210 2.250 1.00 32.33 H new ATOM 0 HD22 ASN A 6 -5.798 4.806 3.657 1.00 32.33 H new ATOM 83 N ASP A 7 -7.390 6.720 5.602 1.00 4.44 N ATOM 84 CA ASP A 7 -8.297 5.924 6.421 1.00 41.51 C ATOM 85 C ASP A 7 -9.001 4.865 5.579 1.00 63.13 C ATOM 86 O ASP A 7 -10.042 4.337 5.970 1.00 74.32 O ATOM 87 CB ASP A 7 -9.331 6.826 7.097 1.00 31.45 C ATOM 88 CG ASP A 7 -10.503 7.144 6.190 1.00 11.43 C ATOM 89 OD1 ASP A 7 -10.276 7.729 5.110 1.00 21.10 O ATOM 90 OD2 ASP A 7 -11.647 6.809 6.560 1.00 75.40 O ATOM 0 H ASP A 7 -7.830 7.512 5.133 1.00 4.44 H new ATOM 0 HA ASP A 7 -7.708 5.420 7.188 1.00 41.51 H new ATOM 0 HB2 ASP A 7 -9.697 6.340 8.001 1.00 31.45 H new ATOM 0 HB3 ASP A 7 -8.852 7.755 7.406 1.00 31.45 H new ATOM 95 N LEU A 8 -8.426 4.560 4.421 1.00 60.54 N ATOM 96 CA LEU A 8 -8.998 3.563 3.522 1.00 54.44 C ATOM 97 C LEU A 8 -8.403 2.184 3.787 1.00 43.44 C ATOM 98 O LEU A 8 -8.906 1.174 3.294 1.00 62.22 O ATOM 99 CB LEU A 8 -8.758 3.964 2.065 1.00 0.11 C ATOM 100 CG LEU A 8 -9.645 5.085 1.522 1.00 32.20 C ATOM 101 CD1 LEU A 8 -9.030 6.444 1.819 1.00 72.35 C ATOM 102 CD2 LEU A 8 -9.867 4.912 0.026 1.00 3.54 C ATOM 0 H LEU A 8 -7.564 4.988 4.082 1.00 60.54 H new ATOM 0 HA LEU A 8 -10.071 3.516 3.708 1.00 54.44 H new ATOM 0 HB2 LEU A 8 -7.717 4.269 1.960 1.00 0.11 H new ATOM 0 HB3 LEU A 8 -8.897 3.083 1.439 1.00 0.11 H new ATOM 0 HG LEU A 8 -10.613 5.031 2.021 1.00 32.20 H new ATOM 0 HD11 LEU A 8 -9.675 7.229 1.425 1.00 72.35 H new ATOM 0 HD12 LEU A 8 -8.924 6.568 2.897 1.00 72.35 H new ATOM 0 HD13 LEU A 8 -8.049 6.510 1.348 1.00 72.35 H new ATOM 0 HD21 LEU A 8 -10.500 5.718 -0.344 1.00 3.54 H new ATOM 0 HD22 LEU A 8 -8.907 4.939 -0.490 1.00 3.54 H new ATOM 0 HD23 LEU A 8 -10.353 3.954 -0.161 1.00 3.54 H new ATOM 114 N LEU A 9 -7.330 2.150 4.569 1.00 22.31 N ATOM 115 CA LEU A 9 -6.666 0.894 4.902 1.00 11.13 C ATOM 116 C LEU A 9 -6.923 0.511 6.356 1.00 12.32 C ATOM 117 O LEU A 9 -7.272 1.346 7.191 1.00 15.01 O ATOM 118 CB LEU A 9 -5.161 1.007 4.651 1.00 15.52 C ATOM 119 CG LEU A 9 -4.537 2.376 4.924 1.00 3.15 C ATOM 120 CD1 LEU A 9 -4.664 2.737 6.396 1.00 22.44 C ATOM 121 CD2 LEU A 9 -3.077 2.392 4.494 1.00 72.32 C ATOM 0 H LEU A 9 -6.901 2.977 4.984 1.00 22.31 H new ATOM 0 HA LEU A 9 -7.077 0.114 4.262 1.00 11.13 H new ATOM 0 HB2 LEU A 9 -4.653 0.268 5.271 1.00 15.52 H new ATOM 0 HB3 LEU A 9 -4.965 0.741 3.612 1.00 15.52 H new ATOM 0 HG LEU A 9 -5.076 3.122 4.340 1.00 3.15 H new ATOM 0 HD11 LEU A 9 -4.214 3.714 6.571 1.00 22.44 H new ATOM 0 HD12 LEU A 9 -5.718 2.767 6.674 1.00 22.44 H new ATOM 0 HD13 LEU A 9 -4.151 1.988 7.000 1.00 22.44 H new ATOM 0 HD21 LEU A 9 -2.649 3.374 4.696 1.00 72.32 H new ATOM 0 HD22 LEU A 9 -2.525 1.634 5.051 1.00 72.32 H new ATOM 0 HD23 LEU A 9 -3.010 2.179 3.427 1.00 72.32 H new ATOM 133 N PRO A 10 -6.745 -0.781 6.669 1.00 41.24 N ATOM 134 CA PRO A 10 -6.949 -1.303 8.023 1.00 73.30 C ATOM 135 C PRO A 10 -5.882 -0.819 8.998 1.00 11.14 C ATOM 136 O PRO A 10 -4.838 -0.299 8.605 1.00 4.03 O ATOM 137 CB PRO A 10 -6.854 -2.820 7.836 1.00 15.42 C ATOM 138 CG PRO A 10 -6.017 -3.000 6.617 1.00 2.55 C ATOM 139 CD PRO A 10 -6.329 -1.831 5.724 1.00 75.21 C ATOM 0 HA PRO A 10 -7.895 -0.970 8.450 1.00 73.30 H new ATOM 0 HB2 PRO A 10 -6.398 -3.298 8.703 1.00 15.42 H new ATOM 0 HB3 PRO A 10 -7.840 -3.266 7.708 1.00 15.42 H new ATOM 0 HG2 PRO A 10 -4.957 -3.025 6.871 1.00 2.55 H new ATOM 0 HG3 PRO A 10 -6.248 -3.943 6.121 1.00 2.55 H new ATOM 0 HD2 PRO A 10 -5.459 -1.526 5.142 1.00 75.21 H new ATOM 0 HD3 PRO A 10 -7.120 -2.068 5.013 1.00 75.21 H new ATOM 147 N PRO A 11 -6.148 -0.992 10.302 1.00 63.54 N ATOM 148 CA PRO A 11 -5.221 -0.580 11.360 1.00 31.41 C ATOM 149 C PRO A 11 -3.966 -1.445 11.400 1.00 4.14 C ATOM 150 O PRO A 11 -2.946 -1.048 11.963 1.00 41.51 O ATOM 151 CB PRO A 11 -6.040 -0.766 12.640 1.00 24.22 C ATOM 152 CG PRO A 11 -7.049 -1.807 12.297 1.00 51.53 C ATOM 153 CD PRO A 11 -7.373 -1.605 10.842 1.00 1.01 C ATOM 0 HA PRO A 11 -4.860 0.438 11.213 1.00 31.41 H new ATOM 0 HB2 PRO A 11 -5.410 -1.084 13.470 1.00 24.22 H new ATOM 0 HB3 PRO A 11 -6.519 0.165 12.942 1.00 24.22 H new ATOM 0 HG2 PRO A 11 -6.654 -2.807 12.474 1.00 51.53 H new ATOM 0 HG3 PRO A 11 -7.942 -1.704 12.914 1.00 51.53 H new ATOM 0 HD2 PRO A 11 -7.602 -2.548 10.347 1.00 1.01 H new ATOM 0 HD3 PRO A 11 -8.239 -0.957 10.709 1.00 1.01 H new ATOM 161 N GLU A 12 -4.048 -2.628 10.800 1.00 63.11 N ATOM 162 CA GLU A 12 -2.917 -3.548 10.769 1.00 61.25 C ATOM 163 C GLU A 12 -1.840 -3.054 9.807 1.00 1.00 C ATOM 164 O GLU A 12 -0.648 -3.100 10.114 1.00 74.52 O ATOM 165 CB GLU A 12 -3.380 -4.947 10.357 1.00 34.11 C ATOM 166 CG GLU A 12 -4.103 -4.980 9.021 1.00 33.41 C ATOM 167 CD GLU A 12 -3.193 -5.378 7.875 1.00 12.31 C ATOM 168 OE1 GLU A 12 -1.958 -5.328 8.055 1.00 72.43 O ATOM 169 OE2 GLU A 12 -3.715 -5.737 6.799 1.00 32.33 O ATOM 0 H GLU A 12 -4.885 -2.972 10.329 1.00 63.11 H new ATOM 0 HA GLU A 12 -2.492 -3.594 11.772 1.00 61.25 H new ATOM 0 HB2 GLU A 12 -2.514 -5.607 10.308 1.00 34.11 H new ATOM 0 HB3 GLU A 12 -4.041 -5.344 11.128 1.00 34.11 H new ATOM 0 HG2 GLU A 12 -4.935 -5.682 9.080 1.00 33.41 H new ATOM 0 HG3 GLU A 12 -4.528 -3.997 8.818 1.00 33.41 H new ATOM 176 N LYS A 13 -2.268 -2.581 8.641 1.00 23.14 N ATOM 177 CA LYS A 13 -1.342 -2.077 7.634 1.00 73.15 C ATOM 178 C LYS A 13 -1.113 -0.579 7.806 1.00 24.14 C ATOM 179 O LYS A 13 -0.178 -0.015 7.238 1.00 71.41 O ATOM 180 CB LYS A 13 -1.880 -2.363 6.230 1.00 51.35 C ATOM 181 CG LYS A 13 -1.041 -1.751 5.121 1.00 52.02 C ATOM 182 CD LYS A 13 -1.669 -0.475 4.586 1.00 0.31 C ATOM 183 CE LYS A 13 -2.013 -0.599 3.110 1.00 41.23 C ATOM 184 NZ LYS A 13 -0.959 -0.002 2.243 1.00 73.22 N ATOM 0 H LYS A 13 -3.250 -2.536 8.370 1.00 23.14 H new ATOM 0 HA LYS A 13 -0.389 -2.589 7.764 1.00 73.15 H new ATOM 0 HB2 LYS A 13 -1.931 -3.442 6.082 1.00 51.35 H new ATOM 0 HB3 LYS A 13 -2.899 -1.982 6.156 1.00 51.35 H new ATOM 0 HG2 LYS A 13 -0.041 -1.535 5.497 1.00 52.02 H new ATOM 0 HG3 LYS A 13 -0.928 -2.470 4.310 1.00 52.02 H new ATOM 0 HD2 LYS A 13 -2.572 -0.247 5.153 1.00 0.31 H new ATOM 0 HD3 LYS A 13 -0.982 0.359 4.732 1.00 0.31 H new ATOM 0 HE2 LYS A 13 -2.141 -1.651 2.854 1.00 41.23 H new ATOM 0 HE3 LYS A 13 -2.965 -0.105 2.916 1.00 41.23 H new ATOM 0 HZ1 LYS A 13 -1.083 -0.335 1.266 1.00 73.22 H new ATOM 0 HZ2 LYS A 13 -1.036 1.035 2.267 1.00 73.22 H new ATOM 0 HZ3 LYS A 13 -0.021 -0.288 2.590 1.00 73.22 H new ATOM 198 N ALA A 14 -1.970 0.059 8.596 1.00 54.34 N ATOM 199 CA ALA A 14 -1.858 1.491 8.846 1.00 72.12 C ATOM 200 C ALA A 14 -0.634 1.805 9.698 1.00 25.14 C ATOM 201 O ALA A 14 -0.076 2.900 9.623 1.00 15.31 O ATOM 202 CB ALA A 14 -3.120 2.009 9.520 1.00 40.31 C ATOM 0 H ALA A 14 -2.750 -0.393 9.074 1.00 54.34 H new ATOM 0 HA ALA A 14 -1.739 1.994 7.887 1.00 72.12 H new ATOM 0 HB1 ALA A 14 -3.023 3.079 9.701 1.00 40.31 H new ATOM 0 HB2 ALA A 14 -3.979 1.827 8.874 1.00 40.31 H new ATOM 0 HB3 ALA A 14 -3.264 1.492 10.469 1.00 40.31 H new ATOM 208 N PHE A 15 -0.219 0.837 10.510 1.00 54.41 N ATOM 209 CA PHE A 15 0.939 1.012 11.378 1.00 31.45 C ATOM 210 C PHE A 15 2.026 -0.006 11.046 1.00 43.14 C ATOM 211 O PHE A 15 1.756 -1.199 10.912 1.00 75.33 O ATOM 212 CB PHE A 15 0.528 0.874 12.846 1.00 51.11 C ATOM 213 CG PHE A 15 -0.725 1.627 13.190 1.00 33.25 C ATOM 214 CD1 PHE A 15 -0.803 2.996 12.993 1.00 10.13 C ATOM 215 CD2 PHE A 15 -1.826 0.965 13.711 1.00 3.21 C ATOM 216 CE1 PHE A 15 -1.955 3.691 13.310 1.00 2.23 C ATOM 217 CE2 PHE A 15 -2.980 1.655 14.030 1.00 74.04 C ATOM 218 CZ PHE A 15 -3.045 3.020 13.828 1.00 72.31 C ATOM 0 H PHE A 15 -0.668 -0.076 10.584 1.00 54.41 H new ATOM 0 HA PHE A 15 1.339 2.012 11.212 1.00 31.45 H new ATOM 0 HB2 PHE A 15 0.383 -0.181 13.077 1.00 51.11 H new ATOM 0 HB3 PHE A 15 1.342 1.230 13.478 1.00 51.11 H new ATOM 0 HD1 PHE A 15 0.046 3.526 12.587 1.00 10.13 H new ATOM 0 HD2 PHE A 15 -1.781 -0.102 13.869 1.00 3.21 H new ATOM 0 HE1 PHE A 15 -2.003 4.758 13.153 1.00 2.23 H new ATOM 0 HE2 PHE A 15 -3.830 1.128 14.437 1.00 74.04 H new ATOM 0 HZ PHE A 15 -3.946 3.561 14.075 1.00 72.31 H new ATOM 228 N VAL A 16 3.258 0.476 10.913 1.00 62.53 N ATOM 229 CA VAL A 16 4.387 -0.391 10.596 1.00 4.41 C ATOM 230 C VAL A 16 5.405 -0.405 11.732 1.00 54.24 C ATOM 231 O VAL A 16 6.413 0.300 11.703 1.00 4.45 O ATOM 232 CB VAL A 16 5.089 0.053 9.299 1.00 51.53 C ATOM 233 CG1 VAL A 16 6.106 -0.988 8.858 1.00 4.13 C ATOM 234 CG2 VAL A 16 4.067 0.309 8.202 1.00 53.54 C ATOM 0 H VAL A 16 3.499 1.461 11.020 1.00 62.53 H new ATOM 0 HA VAL A 16 3.986 -1.395 10.458 1.00 4.41 H new ATOM 0 HB VAL A 16 5.620 0.984 9.495 1.00 51.53 H new ATOM 0 HG11 VAL A 16 6.591 -0.656 7.940 1.00 4.13 H new ATOM 0 HG12 VAL A 16 6.856 -1.118 9.639 1.00 4.13 H new ATOM 0 HG13 VAL A 16 5.601 -1.937 8.679 1.00 4.13 H new ATOM 0 HG21 VAL A 16 4.580 0.622 7.293 1.00 53.54 H new ATOM 0 HG22 VAL A 16 3.507 -0.605 8.006 1.00 53.54 H new ATOM 0 HG23 VAL A 16 3.381 1.094 8.520 1.00 53.54 H new ATOM 244 N PRO A 17 5.136 -1.227 12.756 1.00 33.34 N ATOM 245 CA PRO A 17 6.016 -1.354 13.921 1.00 23.45 C ATOM 246 C PRO A 17 7.331 -2.048 13.582 1.00 72.44 C ATOM 247 O PRO A 17 7.355 -3.006 12.810 1.00 64.25 O ATOM 248 CB PRO A 17 5.197 -2.207 14.894 1.00 43.02 C ATOM 249 CG PRO A 17 4.271 -2.987 14.026 1.00 13.41 C ATOM 250 CD PRO A 17 3.952 -2.097 12.857 1.00 54.05 C ATOM 0 HA PRO A 17 6.303 -0.382 14.322 1.00 23.45 H new ATOM 0 HB2 PRO A 17 5.838 -2.865 15.480 1.00 43.02 H new ATOM 0 HB3 PRO A 17 4.648 -1.585 15.600 1.00 43.02 H new ATOM 0 HG2 PRO A 17 4.736 -3.915 13.694 1.00 13.41 H new ATOM 0 HG3 PRO A 17 3.365 -3.260 14.568 1.00 13.41 H new ATOM 0 HD2 PRO A 17 3.798 -2.673 11.944 1.00 54.05 H new ATOM 0 HD3 PRO A 17 3.043 -1.520 13.028 1.00 54.05 H new ATOM 258 N GLU A 18 8.421 -1.559 14.164 1.00 42.34 N ATOM 259 CA GLU A 18 9.739 -2.133 13.921 1.00 63.12 C ATOM 260 C GLU A 18 10.586 -2.108 15.190 1.00 11.12 C ATOM 261 O GLU A 18 10.714 -1.072 15.844 1.00 43.20 O ATOM 262 CB GLU A 18 10.454 -1.371 12.803 1.00 70.53 C ATOM 263 CG GLU A 18 11.804 -1.961 12.432 1.00 44.34 C ATOM 264 CD GLU A 18 12.479 -1.207 11.302 1.00 62.00 C ATOM 265 OE1 GLU A 18 11.850 -1.046 10.236 1.00 74.42 O ATOM 266 OE2 GLU A 18 13.638 -0.778 11.485 1.00 13.40 O ATOM 0 H GLU A 18 8.418 -0.767 14.807 1.00 42.34 H new ATOM 0 HA GLU A 18 9.604 -3.170 13.615 1.00 63.12 H new ATOM 0 HB2 GLU A 18 9.817 -1.358 11.919 1.00 70.53 H new ATOM 0 HB3 GLU A 18 10.592 -0.335 13.112 1.00 70.53 H new ATOM 0 HG2 GLU A 18 12.453 -1.953 13.308 1.00 44.34 H new ATOM 0 HG3 GLU A 18 11.673 -3.003 12.141 1.00 44.34 H new ATOM 273 N LEU A 19 11.161 -3.255 15.533 1.00 22.03 N ATOM 274 CA LEU A 19 11.996 -3.366 16.725 1.00 74.23 C ATOM 275 C LEU A 19 13.475 -3.392 16.353 1.00 12.01 C ATOM 276 O LEU A 19 13.851 -3.902 15.298 1.00 0.41 O ATOM 277 CB LEU A 19 11.633 -4.628 17.509 1.00 21.43 C ATOM 278 CG LEU A 19 11.464 -4.455 19.019 1.00 13.30 C ATOM 279 CD1 LEU A 19 12.780 -4.044 19.660 1.00 2.11 C ATOM 280 CD2 LEU A 19 10.379 -3.430 19.320 1.00 64.23 C ATOM 0 H LEU A 19 11.065 -4.121 15.003 1.00 22.03 H new ATOM 0 HA LEU A 19 11.813 -2.492 17.350 1.00 74.23 H new ATOM 0 HB2 LEU A 19 10.704 -5.029 17.103 1.00 21.43 H new ATOM 0 HB3 LEU A 19 12.407 -5.376 17.333 1.00 21.43 H new ATOM 0 HG LEU A 19 11.160 -5.412 19.443 1.00 13.30 H new ATOM 0 HD11 LEU A 19 12.640 -3.926 20.734 1.00 2.11 H new ATOM 0 HD12 LEU A 19 13.531 -4.812 19.474 1.00 2.11 H new ATOM 0 HD13 LEU A 19 13.114 -3.099 19.231 1.00 2.11 H new ATOM 0 HD21 LEU A 19 10.272 -3.320 20.399 1.00 64.23 H new ATOM 0 HD22 LEU A 19 10.654 -2.470 18.882 1.00 64.23 H new ATOM 0 HD23 LEU A 19 9.433 -3.765 18.894 1.00 64.23 H new ATOM 292 N ALA A 20 14.309 -2.841 17.228 1.00 1.53 N ATOM 293 CA ALA A 20 15.747 -2.804 16.994 1.00 24.12 C ATOM 294 C ALA A 20 16.519 -2.854 18.309 1.00 71.45 C ATOM 295 O ALA A 20 16.588 -1.865 19.038 1.00 51.02 O ATOM 296 CB ALA A 20 16.123 -1.557 16.207 1.00 35.31 C ATOM 0 H ALA A 20 14.013 -2.414 18.106 1.00 1.53 H new ATOM 0 HA ALA A 20 16.017 -3.684 16.410 1.00 24.12 H new ATOM 0 HB1 ALA A 20 17.200 -1.543 16.040 1.00 35.31 H new ATOM 0 HB2 ALA A 20 15.607 -1.563 15.247 1.00 35.31 H new ATOM 0 HB3 ALA A 20 15.832 -0.670 16.770 1.00 35.31 H new ATOM 302 N VAL A 21 17.098 -4.014 18.606 1.00 53.42 N ATOM 303 CA VAL A 21 17.865 -4.193 19.833 1.00 40.45 C ATOM 304 C VAL A 21 19.238 -3.539 19.722 1.00 21.42 C ATOM 305 O VAL A 21 19.905 -3.644 18.694 1.00 44.35 O ATOM 306 CB VAL A 21 18.044 -5.685 20.170 1.00 41.22 C ATOM 307 CG1 VAL A 21 19.022 -5.858 21.322 1.00 62.43 C ATOM 308 CG2 VAL A 21 16.702 -6.321 20.499 1.00 40.03 C ATOM 0 H VAL A 21 17.050 -4.843 18.014 1.00 53.42 H new ATOM 0 HA VAL A 21 17.301 -3.713 20.633 1.00 40.45 H new ATOM 0 HB VAL A 21 18.455 -6.191 19.296 1.00 41.22 H new ATOM 0 HG11 VAL A 21 19.136 -6.919 21.546 1.00 62.43 H new ATOM 0 HG12 VAL A 21 19.989 -5.440 21.044 1.00 62.43 H new ATOM 0 HG13 VAL A 21 18.642 -5.340 22.203 1.00 62.43 H new ATOM 0 HG21 VAL A 21 16.847 -7.375 20.735 1.00 40.03 H new ATOM 0 HG22 VAL A 21 16.260 -5.815 21.357 1.00 40.03 H new ATOM 0 HG23 VAL A 21 16.036 -6.229 19.641 1.00 40.03 H new ATOM 318 N ALA A 22 19.654 -2.866 20.790 1.00 44.14 N ATOM 319 CA ALA A 22 20.950 -2.198 20.814 1.00 55.41 C ATOM 320 C ALA A 22 21.825 -2.738 21.939 1.00 22.32 C ATOM 321 O ALA A 22 21.434 -3.661 22.655 1.00 51.35 O ATOM 322 CB ALA A 22 20.765 -0.695 20.962 1.00 42.43 C ATOM 0 H ALA A 22 19.113 -2.769 21.649 1.00 44.14 H new ATOM 0 HA ALA A 22 21.454 -2.400 19.869 1.00 55.41 H new ATOM 0 HB1 ALA A 22 21.740 -0.208 20.979 1.00 42.43 H new ATOM 0 HB2 ALA A 22 20.184 -0.315 20.121 1.00 42.43 H new ATOM 0 HB3 ALA A 22 20.238 -0.483 21.892 1.00 42.43 H new ATOM 328 N ASP A 23 23.011 -2.159 22.090 1.00 62.23 N ATOM 329 CA ASP A 23 23.943 -2.583 23.129 1.00 54.12 C ATOM 330 C ASP A 23 23.742 -1.769 24.403 1.00 0.23 C ATOM 331 O ASP A 23 24.152 -2.184 25.488 1.00 52.34 O ATOM 332 CB ASP A 23 25.385 -2.441 22.640 1.00 52.33 C ATOM 333 CG ASP A 23 26.320 -3.436 23.298 1.00 61.03 C ATOM 334 OD1 ASP A 23 26.018 -3.877 24.426 1.00 2.44 O ATOM 335 OD2 ASP A 23 27.354 -3.774 22.684 1.00 5.25 O ATOM 0 H ASP A 23 23.350 -1.395 21.506 1.00 62.23 H new ATOM 0 HA ASP A 23 23.746 -3.631 23.354 1.00 54.12 H new ATOM 0 HB2 ASP A 23 25.414 -2.579 21.559 1.00 52.33 H new ATOM 0 HB3 ASP A 23 25.736 -1.429 22.842 1.00 52.33 H new ATOM 340 N ASP A 24 23.110 -0.608 24.265 1.00 65.45 N ATOM 341 CA ASP A 24 22.855 0.264 25.405 1.00 44.44 C ATOM 342 C ASP A 24 21.358 0.484 25.597 1.00 61.23 C ATOM 343 O ASP A 24 20.940 1.401 26.302 1.00 23.02 O ATOM 344 CB ASP A 24 23.560 1.608 25.213 1.00 40.30 C ATOM 345 CG ASP A 24 24.986 1.593 25.728 1.00 70.14 C ATOM 346 OD1 ASP A 24 25.253 0.877 26.715 1.00 30.35 O ATOM 347 OD2 ASP A 24 25.835 2.296 25.142 1.00 42.40 O ATOM 0 H ASP A 24 22.765 -0.249 23.375 1.00 65.45 H new ATOM 0 HA ASP A 24 23.250 -0.221 26.298 1.00 44.44 H new ATOM 0 HB2 ASP A 24 23.562 1.866 24.154 1.00 40.30 H new ATOM 0 HB3 ASP A 24 22.998 2.387 25.729 1.00 40.30 H new ATOM 352 N GLY A 25 20.554 -0.365 24.962 1.00 3.45 N ATOM 353 CA GLY A 25 19.112 -0.246 25.075 1.00 4.43 C ATOM 354 C GLY A 25 18.389 -0.794 23.862 1.00 73.14 C ATOM 355 O GLY A 25 18.968 -1.533 23.065 1.00 21.05 O ATOM 0 H GLY A 25 20.876 -1.132 24.372 1.00 3.45 H new ATOM 0 HA2 GLY A 25 18.775 -0.777 25.965 1.00 4.43 H new ATOM 0 HA3 GLY A 25 18.846 0.803 25.210 1.00 4.43 H new ATOM 359 N VAL A 26 17.117 -0.434 23.720 1.00 41.43 N ATOM 360 CA VAL A 26 16.313 -0.895 22.595 1.00 54.14 C ATOM 361 C VAL A 26 15.666 0.277 21.865 1.00 73.24 C ATOM 362 O VAL A 26 15.420 1.329 22.453 1.00 24.33 O ATOM 363 CB VAL A 26 15.212 -1.870 23.054 1.00 64.12 C ATOM 364 CG1 VAL A 26 14.530 -2.509 21.854 1.00 53.52 C ATOM 365 CG2 VAL A 26 15.793 -2.932 23.975 1.00 61.41 C ATOM 0 H VAL A 26 16.621 0.176 24.371 1.00 41.43 H new ATOM 0 HA VAL A 26 16.988 -1.415 21.915 1.00 54.14 H new ATOM 0 HB VAL A 26 14.462 -1.308 23.611 1.00 64.12 H new ATOM 0 HG11 VAL A 26 13.755 -3.194 22.198 1.00 53.52 H new ATOM 0 HG12 VAL A 26 14.079 -1.733 21.236 1.00 53.52 H new ATOM 0 HG13 VAL A 26 15.266 -3.058 21.267 1.00 53.52 H new ATOM 0 HG21 VAL A 26 15.002 -3.613 24.290 1.00 61.41 H new ATOM 0 HG22 VAL A 26 16.563 -3.492 23.445 1.00 61.41 H new ATOM 0 HG23 VAL A 26 16.231 -2.454 24.851 1.00 61.41 H new ATOM 375 N ASN A 27 15.391 0.087 20.578 1.00 22.52 N ATOM 376 CA ASN A 27 14.772 1.128 19.767 1.00 42.24 C ATOM 377 C ASN A 27 13.609 0.566 18.955 1.00 12.32 C ATOM 378 O ASN A 27 13.784 -0.347 18.149 1.00 61.32 O ATOM 379 CB ASN A 27 15.806 1.756 18.829 1.00 23.54 C ATOM 380 CG ASN A 27 15.729 3.270 18.814 1.00 24.04 C ATOM 381 OD1 ASN A 27 16.568 3.951 19.404 1.00 3.13 O ATOM 382 ND2 ASN A 27 14.719 3.804 18.138 1.00 2.30 N ATOM 0 H ASN A 27 15.587 -0.778 20.075 1.00 22.52 H new ATOM 0 HA ASN A 27 14.386 1.895 20.439 1.00 42.24 H new ATOM 0 HB2 ASN A 27 16.806 1.449 19.137 1.00 23.54 H new ATOM 0 HB3 ASN A 27 15.653 1.377 17.818 1.00 23.54 H new ATOM 0 HD21 ASN A 27 14.615 4.818 18.093 1.00 2.30 H new ATOM 0 HD22 ASN A 27 14.047 3.201 17.664 1.00 2.30 H new ATOM 389 N VAL A 28 12.420 1.120 19.174 1.00 61.40 N ATOM 390 CA VAL A 28 11.228 0.675 18.462 1.00 15.54 C ATOM 391 C VAL A 28 10.550 1.838 17.745 1.00 5.14 C ATOM 392 O VAL A 28 10.200 2.843 18.364 1.00 34.34 O ATOM 393 CB VAL A 28 10.216 0.017 19.419 1.00 14.41 C ATOM 394 CG1 VAL A 28 9.758 1.009 20.477 1.00 0.45 C ATOM 395 CG2 VAL A 28 9.028 -0.532 18.643 1.00 43.25 C ATOM 0 H VAL A 28 12.257 1.877 19.838 1.00 61.40 H new ATOM 0 HA VAL A 28 11.554 -0.061 17.727 1.00 15.54 H new ATOM 0 HB VAL A 28 10.708 -0.815 19.923 1.00 14.41 H new ATOM 0 HG11 VAL A 28 9.044 0.526 21.144 1.00 0.45 H new ATOM 0 HG12 VAL A 28 10.618 1.350 21.053 1.00 0.45 H new ATOM 0 HG13 VAL A 28 9.283 1.863 19.994 1.00 0.45 H new ATOM 0 HG21 VAL A 28 8.323 -0.993 19.335 1.00 43.25 H new ATOM 0 HG22 VAL A 28 8.534 0.281 18.110 1.00 43.25 H new ATOM 0 HG23 VAL A 28 9.374 -1.277 17.927 1.00 43.25 H new ATOM 405 N ARG A 29 10.370 1.694 16.437 1.00 54.44 N ATOM 406 CA ARG A 29 9.735 2.733 15.634 1.00 13.15 C ATOM 407 C ARG A 29 8.561 2.166 14.842 1.00 54.33 C ATOM 408 O ARG A 29 8.681 1.128 14.191 1.00 51.35 O ATOM 409 CB ARG A 29 10.751 3.363 14.681 1.00 41.43 C ATOM 410 CG ARG A 29 10.220 4.582 13.944 1.00 45.31 C ATOM 411 CD ARG A 29 9.673 4.211 12.575 1.00 71.03 C ATOM 412 NE ARG A 29 10.727 4.130 11.567 1.00 21.12 N ATOM 413 CZ ARG A 29 11.335 5.193 11.053 1.00 63.23 C ATOM 414 NH1 ARG A 29 10.996 6.412 11.450 1.00 60.45 N ATOM 415 NH2 ARG A 29 12.286 5.038 10.140 1.00 74.23 N ATOM 0 H ARG A 29 10.655 0.868 15.910 1.00 54.44 H new ATOM 0 HA ARG A 29 9.358 3.500 16.310 1.00 13.15 H new ATOM 0 HB2 ARG A 29 11.638 3.649 15.246 1.00 41.43 H new ATOM 0 HB3 ARG A 29 11.064 2.616 13.952 1.00 41.43 H new ATOM 0 HG2 ARG A 29 9.435 5.052 14.535 1.00 45.31 H new ATOM 0 HG3 ARG A 29 11.018 5.316 13.831 1.00 45.31 H new ATOM 0 HD2 ARG A 29 9.158 3.253 12.638 1.00 71.03 H new ATOM 0 HD3 ARG A 29 8.934 4.951 12.268 1.00 71.03 H new ATOM 0 HE ARG A 29 11.012 3.207 11.240 1.00 21.12 H new ATOM 0 HH11 ARG A 29 10.266 6.535 12.152 1.00 60.45 H new ATOM 0 HH12 ARG A 29 11.465 7.226 11.053 1.00 60.45 H new ATOM 0 HH21 ARG A 29 12.550 4.102 9.833 1.00 74.23 H new ATOM 0 HH22 ARG A 29 12.752 5.855 9.746 1.00 74.23 H new ATOM 429 N PHE A 30 7.425 2.854 14.902 1.00 44.51 N ATOM 430 CA PHE A 30 6.229 2.419 14.191 1.00 12.21 C ATOM 431 C PHE A 30 5.722 3.515 13.258 1.00 73.20 C ATOM 432 O PHE A 30 5.335 4.595 13.704 1.00 35.13 O ATOM 433 CB PHE A 30 5.132 2.032 15.185 1.00 11.01 C ATOM 434 CG PHE A 30 5.395 2.510 16.584 1.00 12.44 C ATOM 435 CD1 PHE A 30 6.232 1.798 17.428 1.00 12.53 C ATOM 436 CD2 PHE A 30 4.805 3.672 17.056 1.00 75.11 C ATOM 437 CE1 PHE A 30 6.476 2.236 18.716 1.00 3.14 C ATOM 438 CE2 PHE A 30 5.046 4.115 18.343 1.00 75.32 C ATOM 439 CZ PHE A 30 5.881 3.395 19.174 1.00 4.35 C ATOM 0 H PHE A 30 7.308 3.715 15.436 1.00 44.51 H new ATOM 0 HA PHE A 30 6.490 1.547 13.591 1.00 12.21 H new ATOM 0 HB2 PHE A 30 4.182 2.441 14.842 1.00 11.01 H new ATOM 0 HB3 PHE A 30 5.027 0.947 15.194 1.00 11.01 H new ATOM 0 HD1 PHE A 30 6.699 0.890 17.075 1.00 12.53 H new ATOM 0 HD2 PHE A 30 4.149 4.238 16.411 1.00 75.11 H new ATOM 0 HE1 PHE A 30 7.131 1.672 19.364 1.00 3.14 H new ATOM 0 HE2 PHE A 30 4.582 5.023 18.698 1.00 75.32 H new ATOM 0 HZ PHE A 30 6.069 3.738 20.181 1.00 4.35 H new ATOM 449 N ARG A 31 5.728 3.228 11.960 1.00 13.23 N ATOM 450 CA ARG A 31 5.271 4.189 10.964 1.00 75.15 C ATOM 451 C ARG A 31 3.749 4.174 10.852 1.00 72.11 C ATOM 452 O ARG A 31 3.154 3.162 10.480 1.00 71.11 O ATOM 453 CB ARG A 31 5.895 3.880 9.602 1.00 65.41 C ATOM 454 CG ARG A 31 7.404 3.697 9.651 1.00 34.23 C ATOM 455 CD ARG A 31 8.105 4.573 8.625 1.00 31.11 C ATOM 456 NE ARG A 31 9.469 4.123 8.363 1.00 44.34 N ATOM 457 CZ ARG A 31 9.762 3.009 7.702 1.00 75.34 C ATOM 458 NH1 ARG A 31 8.790 2.235 7.238 1.00 31.11 N ATOM 459 NH2 ARG A 31 11.028 2.667 7.503 1.00 61.44 N ATOM 0 H ARG A 31 6.044 2.338 11.574 1.00 13.23 H new ATOM 0 HA ARG A 31 5.585 5.182 11.284 1.00 75.15 H new ATOM 0 HB2 ARG A 31 5.440 2.974 9.201 1.00 65.41 H new ATOM 0 HB3 ARG A 31 5.658 4.689 8.911 1.00 65.41 H new ATOM 0 HG2 ARG A 31 7.769 3.940 10.649 1.00 34.23 H new ATOM 0 HG3 ARG A 31 7.651 2.651 9.468 1.00 34.23 H new ATOM 0 HD2 ARG A 31 7.537 4.568 7.695 1.00 31.11 H new ATOM 0 HD3 ARG A 31 8.125 5.603 8.981 1.00 31.11 H new ATOM 0 HE ARG A 31 10.240 4.696 8.707 1.00 44.34 H new ATOM 0 HH11 ARG A 31 7.815 2.495 7.389 1.00 31.11 H new ATOM 0 HH12 ARG A 31 9.017 1.380 6.731 1.00 31.11 H new ATOM 0 HH21 ARG A 31 11.778 3.260 7.858 1.00 61.44 H new ATOM 0 HH22 ARG A 31 11.251 1.811 6.995 1.00 61.44 H new ATOM 473 N ILE A 32 3.126 5.302 11.177 1.00 72.41 N ATOM 474 CA ILE A 32 1.674 5.418 11.113 1.00 63.24 C ATOM 475 C ILE A 32 1.232 6.060 9.802 1.00 33.41 C ATOM 476 O ILE A 32 1.909 6.938 9.269 1.00 3.15 O ATOM 477 CB ILE A 32 1.123 6.246 12.288 1.00 21.35 C ATOM 478 CG1 ILE A 32 1.405 5.538 13.615 1.00 3.04 C ATOM 479 CG2 ILE A 32 -0.370 6.483 12.115 1.00 23.04 C ATOM 480 CD1 ILE A 32 1.982 6.450 14.676 1.00 72.22 C ATOM 0 H ILE A 32 3.604 6.148 11.487 1.00 72.41 H new ATOM 0 HA ILE A 32 1.273 4.406 11.173 1.00 63.24 H new ATOM 0 HB ILE A 32 1.626 7.213 12.299 1.00 21.35 H new ATOM 0 HG12 ILE A 32 0.479 5.100 13.988 1.00 3.04 H new ATOM 0 HG13 ILE A 32 2.098 4.715 13.439 1.00 3.04 H new ATOM 0 HG21 ILE A 32 -0.745 7.070 12.954 1.00 23.04 H new ATOM 0 HG22 ILE A 32 -0.547 7.024 11.186 1.00 23.04 H new ATOM 0 HG23 ILE A 32 -0.889 5.525 12.082 1.00 23.04 H new ATOM 0 HD11 ILE A 32 2.157 5.881 15.589 1.00 72.22 H new ATOM 0 HD12 ILE A 32 2.925 6.868 14.323 1.00 72.22 H new ATOM 0 HD13 ILE A 32 1.281 7.259 14.881 1.00 72.22 H new ATOM 492 N ALA A 33 0.089 5.616 9.288 1.00 22.23 N ATOM 493 CA ALA A 33 -0.446 6.149 8.042 1.00 14.42 C ATOM 494 C ALA A 33 -0.815 7.622 8.189 1.00 63.11 C ATOM 495 O ALA A 33 -1.247 8.060 9.255 1.00 1.21 O ATOM 496 CB ALA A 33 -1.658 5.342 7.600 1.00 64.13 C ATOM 0 H ALA A 33 -0.484 4.888 9.716 1.00 22.23 H new ATOM 0 HA ALA A 33 0.328 6.069 7.279 1.00 14.42 H new ATOM 0 HB1 ALA A 33 -2.047 5.751 6.668 1.00 64.13 H new ATOM 0 HB2 ALA A 33 -1.367 4.303 7.446 1.00 64.13 H new ATOM 0 HB3 ALA A 33 -2.429 5.393 8.369 1.00 64.13 H new ATOM 502 N ASP A 34 -0.640 8.381 7.112 1.00 32.54 N ATOM 503 CA ASP A 34 -0.955 9.804 7.121 1.00 3.54 C ATOM 504 C ASP A 34 -2.419 10.035 7.481 1.00 52.22 C ATOM 505 O ASP A 34 -2.803 11.129 7.894 1.00 62.23 O ATOM 506 CB ASP A 34 -0.647 10.425 5.758 1.00 54.03 C ATOM 507 CG ASP A 34 -0.159 11.856 5.870 1.00 71.14 C ATOM 508 OD1 ASP A 34 0.572 12.160 6.836 1.00 61.15 O ATOM 509 OD2 ASP A 34 -0.507 12.672 4.991 1.00 74.43 O ATOM 0 H ASP A 34 -0.282 8.034 6.222 1.00 32.54 H new ATOM 0 HA ASP A 34 -0.334 10.283 7.878 1.00 3.54 H new ATOM 0 HB2 ASP A 34 0.109 9.825 5.251 1.00 54.03 H new ATOM 0 HB3 ASP A 34 -1.544 10.397 5.139 1.00 54.03 H new ATOM 514 N GLY A 35 -3.234 8.997 7.319 1.00 21.34 N ATOM 515 CA GLY A 35 -4.647 9.107 7.630 1.00 11.31 C ATOM 516 C GLY A 35 -4.956 8.735 9.067 1.00 42.32 C ATOM 517 O GLY A 35 -6.116 8.730 9.478 1.00 32.24 O ATOM 0 H GLY A 35 -2.941 8.082 6.978 1.00 21.34 H new ATOM 0 HA2 GLY A 35 -4.978 10.128 7.443 1.00 11.31 H new ATOM 0 HA3 GLY A 35 -5.214 8.460 6.961 1.00 11.31 H new ATOM 521 N TYR A 36 -3.916 8.422 9.831 1.00 2.15 N ATOM 522 CA TYR A 36 -4.082 8.043 11.230 1.00 62.15 C ATOM 523 C TYR A 36 -3.124 8.824 12.123 1.00 4.24 C ATOM 524 O TYR A 36 -2.127 9.375 11.654 1.00 74.44 O ATOM 525 CB TYR A 36 -3.849 6.541 11.403 1.00 11.15 C ATOM 526 CG TYR A 36 -4.991 5.689 10.898 1.00 34.14 C ATOM 527 CD1 TYR A 36 -6.286 5.882 11.364 1.00 54.24 C ATOM 528 CD2 TYR A 36 -4.776 4.690 9.957 1.00 2.10 C ATOM 529 CE1 TYR A 36 -7.333 5.106 10.906 1.00 72.44 C ATOM 530 CE2 TYR A 36 -5.817 3.910 9.492 1.00 23.24 C ATOM 531 CZ TYR A 36 -7.093 4.121 9.970 1.00 54.23 C ATOM 532 OH TYR A 36 -8.133 3.345 9.510 1.00 3.04 O ATOM 0 H TYR A 36 -2.949 8.423 9.506 1.00 2.15 H new ATOM 0 HA TYR A 36 -5.103 8.283 11.527 1.00 62.15 H new ATOM 0 HB2 TYR A 36 -2.937 6.260 10.876 1.00 11.15 H new ATOM 0 HB3 TYR A 36 -3.686 6.326 12.459 1.00 11.15 H new ATOM 0 HD1 TYR A 36 -6.477 6.652 12.097 1.00 54.24 H new ATOM 0 HD2 TYR A 36 -3.777 4.520 9.582 1.00 2.10 H new ATOM 0 HE1 TYR A 36 -8.334 5.269 11.278 1.00 72.44 H new ATOM 0 HE2 TYR A 36 -5.632 3.139 8.758 1.00 23.24 H new ATOM 0 HH TYR A 36 -7.810 2.755 8.797 1.00 3.04 H new ATOM 542 N TYR A 37 -3.432 8.867 13.415 1.00 53.54 N ATOM 543 CA TYR A 37 -2.601 9.582 14.376 1.00 41.43 C ATOM 544 C TYR A 37 -2.782 9.015 15.780 1.00 3.34 C ATOM 545 O TYR A 37 -3.905 8.805 16.237 1.00 40.10 O ATOM 546 CB TYR A 37 -2.943 11.073 14.368 1.00 45.33 C ATOM 547 CG TYR A 37 -4.351 11.374 14.829 1.00 44.31 C ATOM 548 CD1 TYR A 37 -4.629 11.603 16.171 1.00 30.50 C ATOM 549 CD2 TYR A 37 -5.403 11.430 13.923 1.00 23.32 C ATOM 550 CE1 TYR A 37 -5.914 11.877 16.597 1.00 11.23 C ATOM 551 CE2 TYR A 37 -6.691 11.705 14.340 1.00 5.12 C ATOM 552 CZ TYR A 37 -6.941 11.928 15.678 1.00 32.02 C ATOM 553 OH TYR A 37 -8.223 12.201 16.098 1.00 41.32 O ATOM 0 H TYR A 37 -4.251 8.415 13.821 1.00 53.54 H new ATOM 0 HA TYR A 37 -1.559 9.454 14.083 1.00 41.43 H new ATOM 0 HB2 TYR A 37 -2.239 11.602 15.010 1.00 45.33 H new ATOM 0 HB3 TYR A 37 -2.809 11.462 13.359 1.00 45.33 H new ATOM 0 HD1 TYR A 37 -3.827 11.566 16.893 1.00 30.50 H new ATOM 0 HD2 TYR A 37 -5.210 11.256 12.875 1.00 23.32 H new ATOM 0 HE1 TYR A 37 -6.113 12.050 17.644 1.00 11.23 H new ATOM 0 HE2 TYR A 37 -7.497 11.745 13.623 1.00 5.12 H new ATOM 0 HH TYR A 37 -8.827 12.201 15.326 1.00 41.32 H new ATOM 563 N MET A 38 -1.666 8.771 16.461 1.00 75.54 N ATOM 564 CA MET A 38 -1.701 8.230 17.814 1.00 23.45 C ATOM 565 C MET A 38 -1.193 9.255 18.823 1.00 53.51 C ATOM 566 O MET A 38 -0.235 9.981 18.556 1.00 53.33 O ATOM 567 CB MET A 38 -0.859 6.955 17.899 1.00 60.23 C ATOM 568 CG MET A 38 -1.616 5.699 17.497 1.00 1.25 C ATOM 569 SD MET A 38 -0.618 4.575 16.502 1.00 51.14 S ATOM 570 CE MET A 38 0.937 4.627 17.389 1.00 61.44 C ATOM 0 H MET A 38 -0.728 8.939 16.098 1.00 75.54 H new ATOM 0 HA MET A 38 -2.737 7.990 18.055 1.00 23.45 H new ATOM 0 HB2 MET A 38 0.015 7.063 17.257 1.00 60.23 H new ATOM 0 HB3 MET A 38 -0.493 6.838 18.919 1.00 60.23 H new ATOM 0 HG2 MET A 38 -1.954 5.181 18.394 1.00 1.25 H new ATOM 0 HG3 MET A 38 -2.507 5.981 16.936 1.00 1.25 H new ATOM 0 HE1 MET A 38 1.666 3.993 16.883 1.00 61.44 H new ATOM 0 HE2 MET A 38 1.306 5.652 17.417 1.00 61.44 H new ATOM 0 HE3 MET A 38 0.787 4.267 18.407 1.00 61.44 H new ATOM 580 N TYR A 39 -1.841 9.310 19.981 1.00 13.41 N ATOM 581 CA TYR A 39 -1.457 10.249 21.028 1.00 0.51 C ATOM 582 C TYR A 39 -0.251 9.733 21.807 1.00 11.32 C ATOM 583 O TYR A 39 -0.262 8.614 22.318 1.00 33.21 O ATOM 584 CB TYR A 39 -2.629 10.491 21.981 1.00 22.42 C ATOM 585 CG TYR A 39 -3.957 10.658 21.278 1.00 43.20 C ATOM 586 CD1 TYR A 39 -4.376 11.906 20.832 1.00 33.42 C ATOM 587 CD2 TYR A 39 -4.792 9.570 21.060 1.00 32.21 C ATOM 588 CE1 TYR A 39 -5.589 12.064 20.190 1.00 71.22 C ATOM 589 CE2 TYR A 39 -6.006 9.718 20.417 1.00 1.34 C ATOM 590 CZ TYR A 39 -6.400 10.967 19.984 1.00 0.23 C ATOM 591 OH TYR A 39 -7.609 11.120 19.345 1.00 61.52 O ATOM 0 H TYR A 39 -2.635 8.715 20.218 1.00 13.41 H new ATOM 0 HA TYR A 39 -1.184 11.191 20.553 1.00 0.51 H new ATOM 0 HB2 TYR A 39 -2.699 9.655 22.677 1.00 22.42 H new ATOM 0 HB3 TYR A 39 -2.426 11.383 22.573 1.00 22.42 H new ATOM 0 HD1 TYR A 39 -3.743 12.766 20.990 1.00 33.42 H new ATOM 0 HD2 TYR A 39 -4.487 8.591 21.399 1.00 32.21 H new ATOM 0 HE1 TYR A 39 -5.901 13.041 19.851 1.00 71.22 H new ATOM 0 HE2 TYR A 39 -6.643 8.861 20.254 1.00 1.34 H new ATOM 0 HH TYR A 39 -8.057 10.251 19.279 1.00 61.52 H new ATOM 601 N GLN A 40 0.787 10.559 21.893 1.00 20.22 N ATOM 602 CA GLN A 40 2.001 10.186 22.610 1.00 41.43 C ATOM 603 C GLN A 40 1.670 9.643 23.996 1.00 63.54 C ATOM 604 O GLN A 40 2.218 8.626 24.421 1.00 5.44 O ATOM 605 CB GLN A 40 2.936 11.391 22.731 1.00 25.34 C ATOM 606 CG GLN A 40 4.410 11.027 22.654 1.00 23.40 C ATOM 607 CD GLN A 40 5.288 12.216 22.318 1.00 24.22 C ATOM 608 OE1 GLN A 40 5.693 12.399 21.170 1.00 65.42 O ATOM 609 NE2 GLN A 40 5.588 13.033 23.321 1.00 13.02 N ATOM 0 H GLN A 40 0.812 11.489 21.476 1.00 20.22 H new ATOM 0 HA GLN A 40 2.502 9.401 22.043 1.00 41.43 H new ATOM 0 HB2 GLN A 40 2.704 12.102 21.938 1.00 25.34 H new ATOM 0 HB3 GLN A 40 2.744 11.896 23.678 1.00 25.34 H new ATOM 0 HG2 GLN A 40 4.726 10.605 23.608 1.00 23.40 H new ATOM 0 HG3 GLN A 40 4.550 10.252 21.900 1.00 23.40 H new ATOM 0 HE21 GLN A 40 5.231 12.844 24.257 1.00 13.02 H new ATOM 0 HE22 GLN A 40 6.176 13.850 23.155 1.00 13.02 H new ATOM 618 N ALA A 41 0.770 10.326 24.695 1.00 45.41 N ATOM 619 CA ALA A 41 0.366 9.911 26.032 1.00 34.20 C ATOM 620 C ALA A 41 -0.349 8.564 25.996 1.00 53.34 C ATOM 621 O ALA A 41 -0.247 7.769 26.930 1.00 4.42 O ATOM 622 CB ALA A 41 -0.527 10.968 26.665 1.00 33.44 C ATOM 0 H ALA A 41 0.307 11.170 24.357 1.00 45.41 H new ATOM 0 HA ALA A 41 1.265 9.800 26.639 1.00 34.20 H new ATOM 0 HB1 ALA A 41 -0.821 10.645 27.664 1.00 33.44 H new ATOM 0 HB2 ALA A 41 0.017 11.910 26.734 1.00 33.44 H new ATOM 0 HB3 ALA A 41 -1.417 11.107 26.051 1.00 33.44 H new ATOM 628 N LYS A 42 -1.075 8.314 24.911 1.00 65.02 N ATOM 629 CA LYS A 42 -1.807 7.063 24.751 1.00 2.23 C ATOM 630 C LYS A 42 -0.862 5.922 24.390 1.00 22.31 C ATOM 631 O LYS A 42 -1.050 4.786 24.827 1.00 11.02 O ATOM 632 CB LYS A 42 -2.881 7.211 23.671 1.00 1.42 C ATOM 633 CG LYS A 42 -4.088 8.016 24.121 1.00 74.44 C ATOM 634 CD LYS A 42 -4.789 7.359 25.298 1.00 73.41 C ATOM 635 CE LYS A 42 -6.295 7.566 25.237 1.00 42.40 C ATOM 636 NZ LYS A 42 -6.997 6.865 26.348 1.00 42.35 N ATOM 0 H LYS A 42 -1.172 8.962 24.129 1.00 65.02 H new ATOM 0 HA LYS A 42 -2.286 6.828 25.701 1.00 2.23 H new ATOM 0 HB2 LYS A 42 -2.441 7.690 22.796 1.00 1.42 H new ATOM 0 HB3 LYS A 42 -3.211 6.220 23.360 1.00 1.42 H new ATOM 0 HG2 LYS A 42 -3.773 9.022 24.399 1.00 74.44 H new ATOM 0 HG3 LYS A 42 -4.787 8.119 23.291 1.00 74.44 H new ATOM 0 HD2 LYS A 42 -4.567 6.292 25.305 1.00 73.41 H new ATOM 0 HD3 LYS A 42 -4.402 7.771 26.230 1.00 73.41 H new ATOM 0 HE2 LYS A 42 -6.517 8.632 25.283 1.00 42.40 H new ATOM 0 HE3 LYS A 42 -6.673 7.202 24.282 1.00 42.40 H new ATOM 0 HZ1 LYS A 42 -8.021 7.031 26.271 1.00 42.35 H new ATOM 0 HZ2 LYS A 42 -6.806 5.844 26.290 1.00 42.35 H new ATOM 0 HZ3 LYS A 42 -6.655 7.230 27.260 1.00 42.35 H new ATOM 650 N ILE A 43 0.154 6.231 23.592 1.00 44.01 N ATOM 651 CA ILE A 43 1.130 5.231 23.175 1.00 14.12 C ATOM 652 C ILE A 43 1.962 4.749 24.358 1.00 5.01 C ATOM 653 O ILE A 43 2.338 5.535 25.228 1.00 34.34 O ATOM 654 CB ILE A 43 2.072 5.782 22.089 1.00 41.30 C ATOM 655 CG1 ILE A 43 1.292 6.069 20.804 1.00 3.32 C ATOM 656 CG2 ILE A 43 3.203 4.800 21.821 1.00 53.24 C ATOM 657 CD1 ILE A 43 1.717 7.346 20.112 1.00 33.32 C ATOM 0 H ILE A 43 0.323 7.166 23.221 1.00 44.01 H new ATOM 0 HA ILE A 43 0.567 4.393 22.764 1.00 14.12 H new ATOM 0 HB ILE A 43 2.505 6.717 22.445 1.00 41.30 H new ATOM 0 HG12 ILE A 43 1.420 5.233 20.117 1.00 3.32 H new ATOM 0 HG13 ILE A 43 0.229 6.129 21.039 1.00 3.32 H new ATOM 0 HG21 ILE A 43 3.860 5.204 21.051 1.00 53.24 H new ATOM 0 HG22 ILE A 43 3.772 4.641 22.737 1.00 53.24 H new ATOM 0 HG23 ILE A 43 2.788 3.851 21.483 1.00 53.24 H new ATOM 0 HD11 ILE A 43 1.122 7.486 19.209 1.00 33.32 H new ATOM 0 HD12 ILE A 43 1.563 8.192 20.782 1.00 33.32 H new ATOM 0 HD13 ILE A 43 2.772 7.282 19.845 1.00 33.32 H new ATOM 669 N VAL A 44 2.250 3.451 24.383 1.00 42.43 N ATOM 670 CA VAL A 44 3.042 2.864 25.457 1.00 13.11 C ATOM 671 C VAL A 44 4.116 1.935 24.903 1.00 32.44 C ATOM 672 O VAL A 44 3.973 1.384 23.813 1.00 72.24 O ATOM 673 CB VAL A 44 2.156 2.078 26.442 1.00 73.14 C ATOM 674 CG1 VAL A 44 2.884 1.862 27.760 1.00 74.13 C ATOM 675 CG2 VAL A 44 0.836 2.801 26.664 1.00 30.02 C ATOM 0 H VAL A 44 1.946 2.786 23.671 1.00 42.43 H new ATOM 0 HA VAL A 44 3.518 3.689 25.987 1.00 13.11 H new ATOM 0 HB VAL A 44 1.940 1.101 26.010 1.00 73.14 H new ATOM 0 HG11 VAL A 44 2.242 1.305 28.443 1.00 74.13 H new ATOM 0 HG12 VAL A 44 3.800 1.299 27.582 1.00 74.13 H new ATOM 0 HG13 VAL A 44 3.132 2.827 28.201 1.00 74.13 H new ATOM 0 HG21 VAL A 44 0.222 2.232 27.362 1.00 30.02 H new ATOM 0 HG22 VAL A 44 1.029 3.792 27.075 1.00 30.02 H new ATOM 0 HG23 VAL A 44 0.310 2.898 25.714 1.00 30.02 H new ATOM 685 N GLY A 45 5.193 1.764 25.664 1.00 11.11 N ATOM 686 CA GLY A 45 6.276 0.900 25.233 1.00 22.12 C ATOM 687 C GLY A 45 7.324 0.703 26.310 1.00 22.25 C ATOM 688 O GLY A 45 8.040 1.638 26.670 1.00 33.11 O ATOM 0 H GLY A 45 5.334 2.208 26.571 1.00 11.11 H new ATOM 0 HA2 GLY A 45 5.870 -0.069 24.944 1.00 22.12 H new ATOM 0 HA3 GLY A 45 6.746 1.326 24.347 1.00 22.12 H new ATOM 692 N LYS A 46 7.415 -0.517 26.829 1.00 61.20 N ATOM 693 CA LYS A 46 8.383 -0.836 27.872 1.00 13.52 C ATOM 694 C LYS A 46 8.998 -2.212 27.642 1.00 33.32 C ATOM 695 O LYS A 46 8.301 -3.164 27.287 1.00 42.22 O ATOM 696 CB LYS A 46 7.715 -0.787 29.248 1.00 35.12 C ATOM 697 CG LYS A 46 7.021 -2.082 29.633 1.00 34.13 C ATOM 698 CD LYS A 46 7.937 -2.987 30.440 1.00 14.13 C ATOM 699 CE LYS A 46 7.958 -4.401 29.880 1.00 13.14 C ATOM 700 NZ LYS A 46 7.579 -5.410 30.908 1.00 63.10 N ATOM 0 H LYS A 46 6.829 -1.302 26.544 1.00 61.20 H new ATOM 0 HA LYS A 46 9.179 -0.092 27.834 1.00 13.52 H new ATOM 0 HB2 LYS A 46 8.468 -0.550 30.000 1.00 35.12 H new ATOM 0 HB3 LYS A 46 6.986 0.024 29.260 1.00 35.12 H new ATOM 0 HG2 LYS A 46 6.126 -1.858 30.214 1.00 34.13 H new ATOM 0 HG3 LYS A 46 6.695 -2.603 28.733 1.00 34.13 H new ATOM 0 HD2 LYS A 46 8.948 -2.579 30.438 1.00 14.13 H new ATOM 0 HD3 LYS A 46 7.605 -3.010 31.478 1.00 14.13 H new ATOM 0 HE2 LYS A 46 7.272 -4.467 29.036 1.00 13.14 H new ATOM 0 HE3 LYS A 46 8.954 -4.626 29.500 1.00 13.14 H new ATOM 0 HZ1 LYS A 46 8.303 -6.156 30.946 1.00 63.10 H new ATOM 0 HZ2 LYS A 46 7.508 -4.949 31.837 1.00 63.10 H new ATOM 0 HZ3 LYS A 46 6.661 -5.831 30.659 1.00 63.10 H new ATOM 714 N THR A 47 10.307 -2.313 27.849 1.00 42.34 N ATOM 715 CA THR A 47 11.016 -3.573 27.664 1.00 14.11 C ATOM 716 C THR A 47 11.995 -3.825 28.805 1.00 62.05 C ATOM 717 O THR A 47 12.849 -2.989 29.098 1.00 61.43 O ATOM 718 CB THR A 47 11.783 -3.596 26.329 1.00 41.33 C ATOM 719 OG1 THR A 47 12.460 -4.848 26.174 1.00 21.01 O ATOM 720 CG2 THR A 47 12.790 -2.458 26.264 1.00 43.41 C ATOM 0 H THR A 47 10.898 -1.536 28.145 1.00 42.34 H new ATOM 0 HA THR A 47 10.263 -4.361 27.654 1.00 14.11 H new ATOM 0 HB THR A 47 11.063 -3.470 25.520 1.00 41.33 H new ATOM 0 HG1 THR A 47 13.288 -4.840 26.699 1.00 21.01 H new ATOM 0 HG21 THR A 47 13.320 -2.495 25.312 1.00 43.41 H new ATOM 0 HG22 THR A 47 12.268 -1.505 26.352 1.00 43.41 H new ATOM 0 HG23 THR A 47 13.505 -2.558 27.081 1.00 43.41 H new ATOM 728 N ASN A 48 11.866 -4.983 29.444 1.00 2.12 N ATOM 729 CA ASN A 48 12.741 -5.345 30.553 1.00 2.14 C ATOM 730 C ASN A 48 12.386 -6.725 31.098 1.00 23.12 C ATOM 731 O ASN A 48 11.287 -7.238 30.889 1.00 31.43 O ATOM 732 CB ASN A 48 12.642 -4.303 31.669 1.00 4.23 C ATOM 733 CG ASN A 48 11.247 -3.723 31.797 1.00 31.22 C ATOM 734 OD1 ASN A 48 11.053 -2.513 31.684 1.00 13.21 O ATOM 735 ND2 ASN A 48 10.267 -4.587 32.035 1.00 71.44 N ATOM 0 H ASN A 48 11.164 -5.686 29.213 1.00 2.12 H new ATOM 0 HA ASN A 48 13.765 -5.373 30.181 1.00 2.14 H new ATOM 0 HB2 ASN A 48 12.931 -4.760 32.616 1.00 4.23 H new ATOM 0 HB3 ASN A 48 13.351 -3.498 31.474 1.00 4.23 H new ATOM 0 HD21 ASN A 48 9.307 -4.256 32.132 1.00 71.44 H new ATOM 0 HD22 ASN A 48 10.474 -5.582 32.121 1.00 71.44 H new ATOM 742 N PRO A 49 13.338 -7.341 31.815 1.00 62.14 N ATOM 743 CA PRO A 49 13.149 -8.669 32.405 1.00 24.44 C ATOM 744 C PRO A 49 12.153 -8.654 33.560 1.00 61.13 C ATOM 745 O PRO A 49 11.308 -9.541 33.674 1.00 32.10 O ATOM 746 CB PRO A 49 14.547 -9.035 32.910 1.00 4.05 C ATOM 747 CG PRO A 49 15.220 -7.726 33.143 1.00 23.41 C ATOM 748 CD PRO A 49 14.672 -6.788 32.104 1.00 61.34 C ATOM 0 HA PRO A 49 12.740 -9.380 31.686 1.00 24.44 H new ATOM 0 HB2 PRO A 49 14.496 -9.623 33.827 1.00 4.05 H new ATOM 0 HB3 PRO A 49 15.088 -9.634 32.178 1.00 4.05 H new ATOM 0 HG2 PRO A 49 15.017 -7.356 34.148 1.00 23.41 H new ATOM 0 HG3 PRO A 49 16.302 -7.822 33.051 1.00 23.41 H new ATOM 0 HD2 PRO A 49 14.611 -5.766 32.478 1.00 61.34 H new ATOM 0 HD3 PRO A 49 15.299 -6.765 31.213 1.00 61.34 H new ATOM 756 N ALA A 50 12.258 -7.641 34.413 1.00 43.52 N ATOM 757 CA ALA A 50 11.365 -7.509 35.557 1.00 54.13 C ATOM 758 C ALA A 50 11.133 -6.043 35.907 1.00 40.14 C ATOM 759 O ALA A 50 11.135 -5.667 37.079 1.00 40.21 O ATOM 760 CB ALA A 50 11.928 -8.257 36.756 1.00 63.03 C ATOM 0 H ALA A 50 12.953 -6.899 34.333 1.00 43.52 H new ATOM 0 HA ALA A 50 10.404 -7.947 35.288 1.00 54.13 H new ATOM 0 HB1 ALA A 50 11.250 -8.149 37.603 1.00 63.03 H new ATOM 0 HB2 ALA A 50 12.035 -9.313 36.509 1.00 63.03 H new ATOM 0 HB3 ALA A 50 12.903 -7.845 37.017 1.00 63.03 H new ATOM 766 N ASP A 51 10.935 -5.220 34.883 1.00 15.42 N ATOM 767 CA ASP A 51 10.701 -3.794 35.083 1.00 41.02 C ATOM 768 C ASP A 51 11.923 -3.125 35.704 1.00 44.12 C ATOM 769 O ASP A 51 11.805 -2.353 36.656 1.00 21.04 O ATOM 770 CB ASP A 51 9.477 -3.576 35.974 1.00 41.34 C ATOM 771 CG ASP A 51 8.754 -2.281 35.657 1.00 5.05 C ATOM 772 OD1 ASP A 51 8.687 -1.915 34.465 1.00 21.55 O ATOM 773 OD2 ASP A 51 8.257 -1.633 36.602 1.00 1.32 O ATOM 0 H ASP A 51 10.932 -5.515 33.907 1.00 15.42 H new ATOM 0 HA ASP A 51 10.517 -3.341 34.109 1.00 41.02 H new ATOM 0 HB2 ASP A 51 8.789 -4.412 35.852 1.00 41.34 H new ATOM 0 HB3 ASP A 51 9.788 -3.569 37.019 1.00 41.34 H new ATOM 778 N LEU A 52 13.097 -3.426 35.159 1.00 31.42 N ATOM 779 CA LEU A 52 14.342 -2.855 35.660 1.00 22.12 C ATOM 780 C LEU A 52 14.812 -1.709 34.770 1.00 0.44 C ATOM 781 O LEU A 52 15.534 -0.817 35.218 1.00 2.21 O ATOM 782 CB LEU A 52 15.426 -3.932 35.738 1.00 34.21 C ATOM 783 CG LEU A 52 16.424 -3.965 34.580 1.00 35.51 C ATOM 784 CD1 LEU A 52 17.568 -2.997 34.834 1.00 50.43 C ATOM 785 CD2 LEU A 52 16.953 -5.377 34.373 1.00 42.11 C ATOM 0 H LEU A 52 13.212 -4.062 34.370 1.00 31.42 H new ATOM 0 HA LEU A 52 14.156 -2.462 36.660 1.00 22.12 H new ATOM 0 HB2 LEU A 52 15.981 -3.794 36.666 1.00 34.21 H new ATOM 0 HB3 LEU A 52 14.939 -4.905 35.800 1.00 34.21 H new ATOM 0 HG LEU A 52 15.908 -3.655 33.671 1.00 35.51 H new ATOM 0 HD11 LEU A 52 18.268 -3.034 33.999 1.00 50.43 H new ATOM 0 HD12 LEU A 52 17.174 -1.986 34.932 1.00 50.43 H new ATOM 0 HD13 LEU A 52 18.084 -3.276 35.753 1.00 50.43 H new ATOM 0 HD21 LEU A 52 17.662 -5.382 33.545 1.00 42.11 H new ATOM 0 HD22 LEU A 52 17.453 -5.715 35.281 1.00 42.11 H new ATOM 0 HD23 LEU A 52 16.124 -6.046 34.145 1.00 42.11 H new ATOM 797 N LEU A 53 14.396 -1.737 33.509 1.00 22.01 N ATOM 798 CA LEU A 53 14.772 -0.699 32.556 1.00 44.31 C ATOM 799 C LEU A 53 14.530 0.690 33.139 1.00 23.44 C ATOM 800 O LEU A 53 13.622 0.886 33.946 1.00 71.45 O ATOM 801 CB LEU A 53 13.984 -0.863 31.256 1.00 53.44 C ATOM 802 CG LEU A 53 14.236 0.194 30.180 1.00 64.05 C ATOM 803 CD1 LEU A 53 14.985 -0.412 29.002 1.00 11.53 C ATOM 804 CD2 LEU A 53 12.924 0.811 29.719 1.00 33.20 C ATOM 0 H LEU A 53 13.798 -2.467 33.123 1.00 22.01 H new ATOM 0 HA LEU A 53 15.836 -0.803 32.344 1.00 44.31 H new ATOM 0 HB2 LEU A 53 14.214 -1.842 30.836 1.00 53.44 H new ATOM 0 HB3 LEU A 53 12.921 -0.861 31.496 1.00 53.44 H new ATOM 0 HG LEU A 53 14.853 0.983 30.611 1.00 64.05 H new ATOM 0 HD11 LEU A 53 15.156 0.355 28.246 1.00 11.53 H new ATOM 0 HD12 LEU A 53 15.943 -0.805 29.343 1.00 11.53 H new ATOM 0 HD13 LEU A 53 14.394 -1.220 28.572 1.00 11.53 H new ATOM 0 HD21 LEU A 53 13.124 1.561 28.953 1.00 33.20 H new ATOM 0 HD22 LEU A 53 12.281 0.033 29.306 1.00 33.20 H new ATOM 0 HD23 LEU A 53 12.426 1.282 30.566 1.00 33.20 H new ATOM 816 N GLY A 54 15.349 1.652 32.724 1.00 31.31 N ATOM 817 CA GLY A 54 15.206 3.010 33.214 1.00 11.22 C ATOM 818 C GLY A 54 13.853 3.607 32.882 1.00 34.23 C ATOM 819 O GLY A 54 12.859 3.315 33.548 1.00 43.12 O ATOM 0 H GLY A 54 16.109 1.515 32.057 1.00 31.31 H new ATOM 0 HA2 GLY A 54 15.349 3.020 34.295 1.00 11.22 H new ATOM 0 HA3 GLY A 54 15.990 3.633 32.783 1.00 11.22 H new ATOM 823 N GLN A 55 13.814 4.445 31.852 1.00 51.41 N ATOM 824 CA GLN A 55 12.572 5.086 31.435 1.00 1.13 C ATOM 825 C GLN A 55 12.475 5.148 29.915 1.00 50.14 C ATOM 826 O GLN A 55 13.480 5.161 29.204 1.00 63.20 O ATOM 827 CB GLN A 55 12.479 6.496 32.022 1.00 62.20 C ATOM 828 CG GLN A 55 13.729 7.331 31.798 1.00 1.53 C ATOM 829 CD GLN A 55 13.413 8.777 31.466 1.00 23.53 C ATOM 830 OE1 GLN A 55 13.668 9.240 30.354 1.00 1.13 O ATOM 831 NE2 GLN A 55 12.855 9.498 32.432 1.00 60.45 N ATOM 0 H GLN A 55 14.628 4.696 31.291 1.00 51.41 H new ATOM 0 HA GLN A 55 11.741 4.489 31.810 1.00 1.13 H new ATOM 0 HB2 GLN A 55 11.625 7.009 31.580 1.00 62.20 H new ATOM 0 HB3 GLN A 55 12.288 6.423 33.093 1.00 62.20 H new ATOM 0 HG2 GLN A 55 14.351 7.295 32.693 1.00 1.53 H new ATOM 0 HG3 GLN A 55 14.312 6.895 30.987 1.00 1.53 H new ATOM 0 HE21 GLN A 55 12.661 9.073 33.339 1.00 60.45 H new ATOM 0 HE22 GLN A 55 12.620 10.477 32.267 1.00 60.45 H new ATOM 840 N PRO A 56 11.236 5.187 29.401 1.00 4.23 N ATOM 841 CA PRO A 56 10.978 5.249 27.960 1.00 65.34 C ATOM 842 C PRO A 56 11.377 6.591 27.356 1.00 14.32 C ATOM 843 O PRO A 56 11.308 7.626 28.020 1.00 21.30 O ATOM 844 CB PRO A 56 9.464 5.046 27.861 1.00 4.11 C ATOM 845 CG PRO A 56 8.934 5.509 29.174 1.00 21.01 C ATOM 846 CD PRO A 56 9.992 5.175 30.189 1.00 3.10 C ATOM 0 HA PRO A 56 11.558 4.507 27.410 1.00 65.34 H new ATOM 0 HB2 PRO A 56 9.040 5.621 27.038 1.00 4.11 H new ATOM 0 HB3 PRO A 56 9.216 4.000 27.680 1.00 4.11 H new ATOM 0 HG2 PRO A 56 8.733 6.580 29.158 1.00 21.01 H new ATOM 0 HG3 PRO A 56 7.994 5.012 29.412 1.00 21.01 H new ATOM 0 HD2 PRO A 56 10.020 5.907 30.996 1.00 3.10 H new ATOM 0 HD3 PRO A 56 9.816 4.202 30.648 1.00 3.10 H new ATOM 854 N SER A 57 11.792 6.568 26.094 1.00 64.31 N ATOM 855 CA SER A 57 12.205 7.783 25.402 1.00 11.31 C ATOM 856 C SER A 57 11.491 7.913 24.060 1.00 44.12 C ATOM 857 O SER A 57 12.062 7.618 23.009 1.00 33.34 O ATOM 858 CB SER A 57 13.720 7.785 25.189 1.00 11.25 C ATOM 859 OG SER A 57 14.369 8.597 26.152 1.00 11.54 O ATOM 0 H SER A 57 11.851 5.721 25.529 1.00 64.31 H new ATOM 0 HA SER A 57 11.932 8.636 26.023 1.00 11.31 H new ATOM 0 HB2 SER A 57 14.101 6.766 25.252 1.00 11.25 H new ATOM 0 HB3 SER A 57 13.949 8.149 24.188 1.00 11.25 H new ATOM 0 HG SER A 57 15.336 8.580 25.996 1.00 11.54 H new ATOM 865 N PHE A 58 10.240 8.357 24.103 1.00 54.12 N ATOM 866 CA PHE A 58 9.446 8.526 22.891 1.00 61.30 C ATOM 867 C PHE A 58 9.787 9.841 22.196 1.00 31.23 C ATOM 868 O PHE A 58 9.705 10.912 22.797 1.00 55.10 O ATOM 869 CB PHE A 58 7.953 8.483 23.223 1.00 2.34 C ATOM 870 CG PHE A 58 7.588 9.278 24.444 1.00 2.43 C ATOM 871 CD1 PHE A 58 7.299 10.630 24.346 1.00 22.02 C ATOM 872 CD2 PHE A 58 7.534 8.674 25.690 1.00 55.20 C ATOM 873 CE1 PHE A 58 6.964 11.364 25.468 1.00 31.12 C ATOM 874 CE2 PHE A 58 7.198 9.403 26.816 1.00 43.14 C ATOM 875 CZ PHE A 58 6.912 10.750 26.704 1.00 21.52 C ATOM 0 H PHE A 58 9.753 8.607 24.964 1.00 54.12 H new ATOM 0 HA PHE A 58 9.684 7.706 22.214 1.00 61.30 H new ATOM 0 HB2 PHE A 58 7.388 8.861 22.371 1.00 2.34 H new ATOM 0 HB3 PHE A 58 7.651 7.446 23.371 1.00 2.34 H new ATOM 0 HD1 PHE A 58 7.336 11.115 23.382 1.00 22.02 H new ATOM 0 HD2 PHE A 58 7.757 7.621 25.783 1.00 55.20 H new ATOM 0 HE1 PHE A 58 6.743 12.417 25.378 1.00 31.12 H new ATOM 0 HE2 PHE A 58 7.159 8.920 27.781 1.00 43.14 H new ATOM 0 HZ PHE A 58 6.648 11.322 27.581 1.00 21.52 H new ATOM 885 N SER A 59 10.171 9.751 20.927 1.00 74.51 N ATOM 886 CA SER A 59 10.528 10.932 20.151 1.00 63.04 C ATOM 887 C SER A 59 9.438 11.995 20.245 1.00 32.21 C ATOM 888 O SER A 59 8.257 11.709 20.048 1.00 34.11 O ATOM 889 CB SER A 59 10.763 10.555 18.687 1.00 72.54 C ATOM 890 OG SER A 59 11.583 11.511 18.038 1.00 13.43 O ATOM 0 H SER A 59 10.243 8.872 20.414 1.00 74.51 H new ATOM 0 HA SER A 59 11.449 11.343 20.565 1.00 63.04 H new ATOM 0 HB2 SER A 59 11.232 9.573 18.632 1.00 72.54 H new ATOM 0 HB3 SER A 59 9.807 10.481 18.170 1.00 72.54 H new ATOM 0 HG SER A 59 11.719 11.245 17.105 1.00 13.43 H new ATOM 896 N LYS A 60 9.843 13.223 20.548 1.00 12.44 N ATOM 897 CA LYS A 60 8.903 14.332 20.669 1.00 72.54 C ATOM 898 C LYS A 60 8.137 14.539 19.366 1.00 43.43 C ATOM 899 O LYS A 60 8.693 15.016 18.377 1.00 22.01 O ATOM 900 CB LYS A 60 9.643 15.616 21.048 1.00 12.22 C ATOM 901 CG LYS A 60 8.757 16.850 21.050 1.00 3.22 C ATOM 902 CD LYS A 60 8.740 17.522 22.413 1.00 20.00 C ATOM 903 CE LYS A 60 7.638 16.959 23.298 1.00 43.11 C ATOM 904 NZ LYS A 60 8.044 16.919 24.730 1.00 34.03 N ATOM 0 H LYS A 60 10.817 13.476 20.715 1.00 12.44 H new ATOM 0 HA LYS A 60 8.189 14.087 21.455 1.00 72.54 H new ATOM 0 HB2 LYS A 60 10.083 15.493 22.038 1.00 12.22 H new ATOM 0 HB3 LYS A 60 10.466 15.771 20.350 1.00 12.22 H new ATOM 0 HG2 LYS A 60 9.113 17.556 20.300 1.00 3.22 H new ATOM 0 HG3 LYS A 60 7.742 16.571 20.768 1.00 3.22 H new ATOM 0 HD2 LYS A 60 9.705 17.384 22.900 1.00 20.00 H new ATOM 0 HD3 LYS A 60 8.596 18.595 22.289 1.00 20.00 H new ATOM 0 HE2 LYS A 60 6.740 17.568 23.192 1.00 43.11 H new ATOM 0 HE3 LYS A 60 7.382 15.953 22.965 1.00 43.11 H new ATOM 0 HZ1 LYS A 60 7.267 16.529 25.300 1.00 34.03 H new ATOM 0 HZ2 LYS A 60 8.886 16.318 24.835 1.00 34.03 H new ATOM 0 HZ3 LYS A 60 8.263 17.882 25.056 1.00 34.03 H new ATOM 918 N GLY A 61 6.857 14.180 19.373 1.00 62.34 N ATOM 919 CA GLY A 61 6.036 14.336 18.186 1.00 23.10 C ATOM 920 C GLY A 61 5.542 15.758 18.006 1.00 21.40 C ATOM 921 O GLY A 61 6.270 16.713 18.275 1.00 71.41 O ATOM 0 H GLY A 61 6.374 13.784 20.179 1.00 62.34 H new ATOM 0 HA2 GLY A 61 6.611 14.041 17.309 1.00 23.10 H new ATOM 0 HA3 GLY A 61 5.181 13.663 18.248 1.00 23.10 H new ATOM 925 N GLU A 62 4.302 15.898 17.548 1.00 31.12 N ATOM 926 CA GLU A 62 3.713 17.214 17.330 1.00 2.03 C ATOM 927 C GLU A 62 2.596 17.484 18.335 1.00 63.54 C ATOM 928 O GLU A 62 1.726 16.641 18.551 1.00 24.42 O ATOM 929 CB GLU A 62 3.169 17.324 15.904 1.00 3.24 C ATOM 930 CG GLU A 62 2.242 16.185 15.517 1.00 32.30 C ATOM 931 CD GLU A 62 0.918 16.673 14.961 1.00 2.21 C ATOM 932 OE1 GLU A 62 0.896 17.129 13.799 1.00 51.34 O ATOM 933 OE2 GLU A 62 -0.094 16.600 15.688 1.00 75.22 O ATOM 0 H GLU A 62 3.686 15.117 17.321 1.00 31.12 H new ATOM 0 HA GLU A 62 4.494 17.961 17.472 1.00 2.03 H new ATOM 0 HB2 GLU A 62 2.634 18.268 15.800 1.00 3.24 H new ATOM 0 HB3 GLU A 62 4.006 17.353 15.206 1.00 3.24 H new ATOM 0 HG2 GLU A 62 2.734 15.557 14.774 1.00 32.30 H new ATOM 0 HG3 GLU A 62 2.057 15.560 16.390 1.00 32.30 H new ATOM 940 N GLU A 63 2.629 18.664 18.945 1.00 41.24 N ATOM 941 CA GLU A 63 1.621 19.044 19.927 1.00 33.00 C ATOM 942 C GLU A 63 0.389 19.631 19.243 1.00 21.15 C ATOM 943 O GLU A 63 0.498 20.522 18.401 1.00 54.20 O ATOM 944 CB GLU A 63 2.198 20.056 20.918 1.00 3.35 C ATOM 945 CG GLU A 63 2.226 19.556 22.353 1.00 71.32 C ATOM 946 CD GLU A 63 0.981 19.940 23.129 1.00 61.01 C ATOM 947 OE1 GLU A 63 -0.133 19.645 22.646 1.00 5.24 O ATOM 948 OE2 GLU A 63 1.120 20.535 24.218 1.00 42.23 O ATOM 0 H GLU A 63 3.343 19.373 18.777 1.00 41.24 H new ATOM 0 HA GLU A 63 1.322 18.146 20.468 1.00 33.00 H new ATOM 0 HB2 GLU A 63 3.212 20.313 20.612 1.00 3.35 H new ATOM 0 HB3 GLU A 63 1.609 20.972 20.873 1.00 3.35 H new ATOM 0 HG2 GLU A 63 2.330 18.471 22.354 1.00 71.32 H new ATOM 0 HG3 GLU A 63 3.103 19.961 22.858 1.00 71.32 H new ATOM 955 N LYS A 64 -0.783 19.124 19.612 1.00 44.20 N ATOM 956 CA LYS A 64 -2.036 19.597 19.036 1.00 32.35 C ATOM 957 C LYS A 64 -3.156 19.564 20.071 1.00 34.02 C ATOM 958 O LYS A 64 -3.110 18.786 21.024 1.00 54.43 O ATOM 959 CB LYS A 64 -2.420 18.742 17.826 1.00 20.05 C ATOM 960 CG LYS A 64 -2.698 17.289 18.172 1.00 54.33 C ATOM 961 CD LYS A 64 -4.141 16.913 17.878 1.00 21.10 C ATOM 962 CE LYS A 64 -4.336 15.404 17.884 1.00 3.43 C ATOM 963 NZ LYS A 64 -4.142 14.814 16.531 1.00 51.52 N ATOM 0 H LYS A 64 -0.891 18.386 20.307 1.00 44.20 H new ATOM 0 HA LYS A 64 -1.893 20.628 18.713 1.00 32.35 H new ATOM 0 HB2 LYS A 64 -3.305 19.170 17.355 1.00 20.05 H new ATOM 0 HB3 LYS A 64 -1.616 18.785 17.092 1.00 20.05 H new ATOM 0 HG2 LYS A 64 -2.029 16.644 17.602 1.00 54.33 H new ATOM 0 HG3 LYS A 64 -2.484 17.118 19.227 1.00 54.33 H new ATOM 0 HD2 LYS A 64 -4.795 17.369 18.621 1.00 21.10 H new ATOM 0 HD3 LYS A 64 -4.432 17.315 16.908 1.00 21.10 H new ATOM 0 HE2 LYS A 64 -3.633 14.950 18.582 1.00 3.43 H new ATOM 0 HE3 LYS A 64 -5.338 15.169 18.242 1.00 3.43 H new ATOM 0 HZ1 LYS A 64 -4.047 13.782 16.613 1.00 51.52 H new ATOM 0 HZ2 LYS A 64 -4.962 15.040 15.933 1.00 51.52 H new ATOM 0 HZ3 LYS A 64 -3.281 15.208 16.101 1.00 51.52 H new ATOM 977 N GLU A 65 -4.161 20.412 19.876 1.00 75.11 N ATOM 978 CA GLU A 65 -5.293 20.478 20.793 1.00 53.21 C ATOM 979 C GLU A 65 -6.575 20.009 20.110 1.00 41.50 C ATOM 980 O GLU A 65 -6.898 20.446 19.005 1.00 2.31 O ATOM 981 CB GLU A 65 -5.473 21.905 21.314 1.00 1.53 C ATOM 982 CG GLU A 65 -4.165 22.596 21.662 1.00 64.34 C ATOM 983 CD GLU A 65 -3.530 23.279 20.466 1.00 61.22 C ATOM 984 OE1 GLU A 65 -4.098 24.281 19.983 1.00 31.54 O ATOM 985 OE2 GLU A 65 -2.464 22.811 20.013 1.00 72.13 O ATOM 0 H GLU A 65 -4.214 21.062 19.092 1.00 75.11 H new ATOM 0 HA GLU A 65 -5.086 19.815 21.633 1.00 53.21 H new ATOM 0 HB2 GLU A 65 -5.996 22.494 20.561 1.00 1.53 H new ATOM 0 HB3 GLU A 65 -6.109 21.882 22.199 1.00 1.53 H new ATOM 0 HG2 GLU A 65 -4.345 23.334 22.444 1.00 64.34 H new ATOM 0 HG3 GLU A 65 -3.468 21.863 22.069 1.00 64.34 H new ATOM 992 N ASP A 66 -7.300 19.118 20.775 1.00 35.53 N ATOM 993 CA ASP A 66 -8.547 18.589 20.234 1.00 52.00 C ATOM 994 C ASP A 66 -9.539 18.285 21.352 1.00 33.21 C ATOM 995 O ASP A 66 -9.334 18.678 22.500 1.00 32.50 O ATOM 996 CB ASP A 66 -8.278 17.325 19.416 1.00 23.24 C ATOM 997 CG ASP A 66 -9.130 17.252 18.165 1.00 42.34 C ATOM 998 OD1 ASP A 66 -10.276 16.767 18.255 1.00 34.53 O ATOM 999 OD2 ASP A 66 -8.650 17.681 17.094 1.00 63.50 O ATOM 0 H ASP A 66 -7.046 18.746 21.690 1.00 35.53 H new ATOM 0 HA ASP A 66 -8.982 19.347 19.583 1.00 52.00 H new ATOM 0 HB2 ASP A 66 -7.225 17.294 19.137 1.00 23.24 H new ATOM 0 HB3 ASP A 66 -8.470 16.448 20.034 1.00 23.24 H new ATOM 1004 N GLU A 67 -10.615 17.584 21.007 1.00 31.24 N ATOM 1005 CA GLU A 67 -11.640 17.229 21.983 1.00 44.24 C ATOM 1006 C GLU A 67 -11.600 15.736 22.295 1.00 2.10 C ATOM 1007 O GLU A 67 -12.334 15.251 23.156 1.00 74.34 O ATOM 1008 CB GLU A 67 -13.026 17.616 21.462 1.00 23.35 C ATOM 1009 CG GLU A 67 -13.263 17.224 20.014 1.00 51.44 C ATOM 1010 CD GLU A 67 -14.628 17.651 19.510 1.00 13.22 C ATOM 1011 OE1 GLU A 67 -15.620 17.455 20.243 1.00 23.24 O ATOM 1012 OE2 GLU A 67 -14.705 18.182 18.382 1.00 3.23 O ATOM 0 H GLU A 67 -10.800 17.251 20.061 1.00 31.24 H new ATOM 0 HA GLU A 67 -11.438 17.780 22.902 1.00 44.24 H new ATOM 0 HB2 GLU A 67 -13.784 17.144 22.086 1.00 23.35 H new ATOM 0 HB3 GLU A 67 -13.155 18.694 21.564 1.00 23.35 H new ATOM 0 HG2 GLU A 67 -12.492 17.674 19.389 1.00 51.44 H new ATOM 0 HG3 GLU A 67 -13.164 16.143 19.913 1.00 51.44 H new ATOM 1019 N PHE A 68 -10.737 15.013 21.589 1.00 20.31 N ATOM 1020 CA PHE A 68 -10.602 13.575 21.789 1.00 25.41 C ATOM 1021 C PHE A 68 -9.557 13.270 22.859 1.00 44.24 C ATOM 1022 O PHE A 68 -9.300 12.110 23.180 1.00 71.45 O ATOM 1023 CB PHE A 68 -10.218 12.889 20.476 1.00 51.52 C ATOM 1024 CG PHE A 68 -11.369 12.733 19.523 1.00 44.30 C ATOM 1025 CD1 PHE A 68 -12.068 13.842 19.073 1.00 31.43 C ATOM 1026 CD2 PHE A 68 -11.750 11.478 19.077 1.00 52.44 C ATOM 1027 CE1 PHE A 68 -13.128 13.700 18.197 1.00 3.52 C ATOM 1028 CE2 PHE A 68 -12.809 11.331 18.200 1.00 42.10 C ATOM 1029 CZ PHE A 68 -13.498 12.444 17.759 1.00 64.10 C ATOM 0 H PHE A 68 -10.121 15.399 20.874 1.00 20.31 H new ATOM 0 HA PHE A 68 -11.564 13.189 22.125 1.00 25.41 H new ATOM 0 HB2 PHE A 68 -9.430 13.465 19.991 1.00 51.52 H new ATOM 0 HB3 PHE A 68 -9.803 11.905 20.697 1.00 51.52 H new ATOM 0 HD1 PHE A 68 -11.782 14.827 19.410 1.00 31.43 H new ATOM 0 HD2 PHE A 68 -11.214 10.605 19.418 1.00 52.44 H new ATOM 0 HE1 PHE A 68 -13.667 14.571 17.855 1.00 3.52 H new ATOM 0 HE2 PHE A 68 -13.097 10.347 17.860 1.00 42.10 H new ATOM 0 HZ PHE A 68 -14.325 12.332 17.073 1.00 64.10 H new ATOM 1039 N PHE A 69 -8.956 14.321 23.406 1.00 1.45 N ATOM 1040 CA PHE A 69 -7.937 14.168 24.439 1.00 74.12 C ATOM 1041 C PHE A 69 -7.501 15.527 24.978 1.00 24.21 C ATOM 1042 O PHE A 69 -7.183 15.666 26.158 1.00 25.54 O ATOM 1043 CB PHE A 69 -6.727 13.414 23.883 1.00 14.12 C ATOM 1044 CG PHE A 69 -5.925 14.213 22.896 1.00 73.32 C ATOM 1045 CD1 PHE A 69 -6.511 14.694 21.736 1.00 64.23 C ATOM 1046 CD2 PHE A 69 -4.586 14.483 23.128 1.00 74.20 C ATOM 1047 CE1 PHE A 69 -5.774 15.428 20.825 1.00 15.22 C ATOM 1048 CE2 PHE A 69 -3.845 15.217 22.221 1.00 12.02 C ATOM 1049 CZ PHE A 69 -4.441 15.691 21.069 1.00 44.22 C ATOM 0 H PHE A 69 -9.157 15.288 23.152 1.00 1.45 H new ATOM 0 HA PHE A 69 -8.369 13.594 25.259 1.00 74.12 H new ATOM 0 HB2 PHE A 69 -6.081 13.119 24.710 1.00 14.12 H new ATOM 0 HB3 PHE A 69 -7.069 12.497 23.403 1.00 14.12 H new ATOM 0 HD1 PHE A 69 -7.554 14.493 21.541 1.00 64.23 H new ATOM 0 HD2 PHE A 69 -4.116 14.116 24.028 1.00 74.20 H new ATOM 0 HE1 PHE A 69 -6.241 15.795 19.923 1.00 15.22 H new ATOM 0 HE2 PHE A 69 -2.802 15.419 22.413 1.00 12.02 H new ATOM 0 HZ PHE A 69 -3.865 16.267 20.360 1.00 44.22 H new ATOM 1059 N GLY A 70 -7.487 16.528 24.103 1.00 33.10 N ATOM 1060 CA GLY A 70 -7.087 17.863 24.509 1.00 74.42 C ATOM 1061 C GLY A 70 -5.772 18.288 23.887 1.00 52.12 C ATOM 1062 O GLY A 70 -5.448 17.887 22.769 1.00 51.01 O ATOM 0 H GLY A 70 -7.745 16.438 23.120 1.00 33.10 H new ATOM 0 HA2 GLY A 70 -7.865 18.573 24.228 1.00 74.42 H new ATOM 0 HA3 GLY A 70 -7.000 17.899 25.595 1.00 74.42 H new ATOM 1066 N ARG A 71 -5.013 19.104 24.611 1.00 33.13 N ATOM 1067 CA ARG A 71 -3.727 19.586 24.122 1.00 13.35 C ATOM 1068 C ARG A 71 -2.594 18.674 24.582 1.00 20.12 C ATOM 1069 O ARG A 71 -2.166 18.733 25.735 1.00 52.05 O ATOM 1070 CB ARG A 71 -3.476 21.015 24.609 1.00 21.43 C ATOM 1071 CG ARG A 71 -4.738 21.855 24.708 1.00 12.52 C ATOM 1072 CD ARG A 71 -5.277 21.886 26.130 1.00 73.22 C ATOM 1073 NE ARG A 71 -5.707 23.225 26.524 1.00 64.02 N ATOM 1074 CZ ARG A 71 -4.865 24.219 26.786 1.00 33.01 C ATOM 1075 NH1 ARG A 71 -3.557 24.025 26.696 1.00 3.51 N ATOM 1076 NH2 ARG A 71 -5.333 25.410 27.139 1.00 64.24 N ATOM 0 H ARG A 71 -5.266 19.445 25.538 1.00 33.13 H new ATOM 0 HA ARG A 71 -3.755 19.580 23.032 1.00 13.35 H new ATOM 0 HB2 ARG A 71 -2.997 20.977 25.587 1.00 21.43 H new ATOM 0 HB3 ARG A 71 -2.777 21.504 23.930 1.00 21.43 H new ATOM 0 HG2 ARG A 71 -4.527 22.871 24.376 1.00 12.52 H new ATOM 0 HG3 ARG A 71 -5.498 21.452 24.038 1.00 12.52 H new ATOM 0 HD2 ARG A 71 -6.117 21.196 26.214 1.00 73.22 H new ATOM 0 HD3 ARG A 71 -4.507 21.536 26.817 1.00 73.22 H new ATOM 0 HE ARG A 71 -6.708 23.407 26.602 1.00 64.02 H new ATOM 0 HH11 ARG A 71 -3.194 23.111 26.425 1.00 3.51 H new ATOM 0 HH12 ARG A 71 -2.913 24.790 26.898 1.00 3.51 H new ATOM 0 HH21 ARG A 71 -6.339 25.562 27.209 1.00 64.24 H new ATOM 0 HH22 ARG A 71 -4.686 26.173 27.340 1.00 64.24 H new ATOM 1090 N GLN A 72 -2.114 17.831 23.673 1.00 3.42 N ATOM 1091 CA GLN A 72 -1.031 16.906 23.986 1.00 13.14 C ATOM 1092 C GLN A 72 -0.232 16.559 22.735 1.00 52.35 C ATOM 1093 O GLN A 72 -0.639 16.878 21.617 1.00 42.33 O ATOM 1094 CB GLN A 72 -1.590 15.630 24.619 1.00 4.32 C ATOM 1095 CG GLN A 72 -1.276 15.498 26.101 1.00 44.33 C ATOM 1096 CD GLN A 72 -0.036 14.666 26.363 1.00 61.04 C ATOM 1097 OE1 GLN A 72 0.645 14.236 25.431 1.00 4.04 O ATOM 1098 NE2 GLN A 72 0.264 14.434 27.635 1.00 12.13 N ATOM 0 H GLN A 72 -2.458 17.770 22.715 1.00 3.42 H new ATOM 0 HA GLN A 72 -0.364 17.394 24.696 1.00 13.14 H new ATOM 0 HB2 GLN A 72 -2.671 15.610 24.482 1.00 4.32 H new ATOM 0 HB3 GLN A 72 -1.186 14.766 24.092 1.00 4.32 H new ATOM 0 HG2 GLN A 72 -1.140 16.491 26.529 1.00 44.33 H new ATOM 0 HG3 GLN A 72 -2.127 15.045 26.610 1.00 44.33 H new ATOM 0 HE21 GLN A 72 -0.328 14.810 28.375 1.00 12.13 H new ATOM 0 HE22 GLN A 72 1.087 13.880 27.872 1.00 12.13 H new ATOM 1107 N THR A 73 0.908 15.904 22.929 1.00 60.22 N ATOM 1108 CA THR A 73 1.765 15.515 21.816 1.00 2.01 C ATOM 1109 C THR A 73 1.247 14.252 21.138 1.00 21.33 C ATOM 1110 O THR A 73 0.801 13.317 21.803 1.00 21.42 O ATOM 1111 CB THR A 73 3.215 15.277 22.280 1.00 53.50 C ATOM 1112 OG1 THR A 73 3.539 16.171 23.351 1.00 60.01 O ATOM 1113 CG2 THR A 73 4.191 15.480 21.131 1.00 73.12 C ATOM 0 H THR A 73 1.259 15.632 23.847 1.00 60.22 H new ATOM 0 HA THR A 73 1.750 16.339 21.103 1.00 2.01 H new ATOM 0 HB THR A 73 3.298 14.247 22.628 1.00 53.50 H new ATOM 0 HG1 THR A 73 4.461 16.013 23.642 1.00 60.01 H new ATOM 0 HG21 THR A 73 5.208 15.307 21.483 1.00 73.12 H new ATOM 0 HG22 THR A 73 3.960 14.779 20.329 1.00 73.12 H new ATOM 0 HG23 THR A 73 4.105 16.500 20.757 1.00 73.12 H new ATOM 1121 N VAL A 74 1.309 14.230 19.811 1.00 65.14 N ATOM 1122 CA VAL A 74 0.848 13.080 19.042 1.00 20.24 C ATOM 1123 C VAL A 74 1.746 12.828 17.837 1.00 42.24 C ATOM 1124 O VAL A 74 2.673 13.593 17.569 1.00 11.51 O ATOM 1125 CB VAL A 74 -0.601 13.274 18.558 1.00 71.52 C ATOM 1126 CG1 VAL A 74 -1.512 13.622 19.725 1.00 54.34 C ATOM 1127 CG2 VAL A 74 -0.664 14.347 17.482 1.00 3.42 C ATOM 0 H VAL A 74 1.674 14.996 19.245 1.00 65.14 H new ATOM 0 HA VAL A 74 0.889 12.217 19.707 1.00 20.24 H new ATOM 0 HB VAL A 74 -0.949 12.337 18.124 1.00 71.52 H new ATOM 0 HG11 VAL A 74 -2.532 13.755 19.363 1.00 54.34 H new ATOM 0 HG12 VAL A 74 -1.489 12.815 20.457 1.00 54.34 H new ATOM 0 HG13 VAL A 74 -1.169 14.545 20.192 1.00 54.34 H new ATOM 0 HG21 VAL A 74 -1.695 14.471 17.152 1.00 3.42 H new ATOM 0 HG22 VAL A 74 -0.297 15.290 17.887 1.00 3.42 H new ATOM 0 HG23 VAL A 74 -0.045 14.050 16.635 1.00 3.42 H new ATOM 1137 N TYR A 75 1.466 11.751 17.111 1.00 15.35 N ATOM 1138 CA TYR A 75 2.249 11.397 15.934 1.00 24.12 C ATOM 1139 C TYR A 75 1.367 11.334 14.691 1.00 22.31 C ATOM 1140 O TYR A 75 0.261 10.795 14.727 1.00 33.54 O ATOM 1141 CB TYR A 75 2.948 10.053 16.146 1.00 30.24 C ATOM 1142 CG TYR A 75 3.877 10.035 17.339 1.00 63.11 C ATOM 1143 CD1 TYR A 75 4.814 11.043 17.530 1.00 14.43 C ATOM 1144 CD2 TYR A 75 3.818 9.010 18.275 1.00 22.30 C ATOM 1145 CE1 TYR A 75 5.665 11.031 18.618 1.00 20.50 C ATOM 1146 CE2 TYR A 75 4.665 8.989 19.367 1.00 53.44 C ATOM 1147 CZ TYR A 75 5.587 10.002 19.533 1.00 34.34 C ATOM 1148 OH TYR A 75 6.432 9.986 20.619 1.00 1.00 O ATOM 0 H TYR A 75 0.702 11.108 17.318 1.00 15.35 H new ATOM 0 HA TYR A 75 3.002 12.171 15.784 1.00 24.12 H new ATOM 0 HB2 TYR A 75 2.193 9.276 16.272 1.00 30.24 H new ATOM 0 HB3 TYR A 75 3.516 9.803 15.250 1.00 30.24 H new ATOM 0 HD1 TYR A 75 4.878 11.850 16.815 1.00 14.43 H new ATOM 0 HD2 TYR A 75 3.098 8.216 18.147 1.00 22.30 H new ATOM 0 HE1 TYR A 75 6.387 11.823 18.751 1.00 20.50 H new ATOM 0 HE2 TYR A 75 4.606 8.185 20.086 1.00 53.44 H new ATOM 0 HH TYR A 75 6.747 10.896 20.802 1.00 1.00 H new ATOM 1158 N HIS A 76 1.866 11.888 13.591 1.00 51.33 N ATOM 1159 CA HIS A 76 1.125 11.895 12.334 1.00 33.45 C ATOM 1160 C HIS A 76 1.717 10.892 11.349 1.00 24.10 C ATOM 1161 O HIS A 76 1.192 10.700 10.252 1.00 63.42 O ATOM 1162 CB HIS A 76 1.131 13.295 11.721 1.00 44.10 C ATOM 1163 CG HIS A 76 2.481 13.944 11.724 1.00 63.21 C ATOM 1164 ND1 HIS A 76 2.667 15.295 11.927 1.00 34.04 N ATOM 1165 CD2 HIS A 76 3.716 13.419 11.548 1.00 24.52 C ATOM 1166 CE1 HIS A 76 3.957 15.573 11.875 1.00 10.01 C ATOM 1167 NE2 HIS A 76 4.616 14.451 11.647 1.00 50.44 N ATOM 0 H HIS A 76 2.780 12.338 13.544 1.00 51.33 H new ATOM 0 HA HIS A 76 0.096 11.605 12.546 1.00 33.45 H new ATOM 0 HB2 HIS A 76 0.768 13.235 10.695 1.00 44.10 H new ATOM 0 HB3 HIS A 76 0.432 13.926 12.270 1.00 44.10 H new ATOM 0 HD1 HIS A 76 1.924 15.974 12.092 1.00 34.04 H new ATOM 0 HD2 HIS A 76 3.950 12.381 11.364 1.00 24.52 H new ATOM 0 HE1 HIS A 76 4.398 16.551 11.998 1.00 10.01 H new ATOM 1175 N HIS A 77 2.814 10.256 11.747 1.00 25.33 N ATOM 1176 CA HIS A 77 3.479 9.273 10.899 1.00 73.42 C ATOM 1177 C HIS A 77 4.662 8.639 11.625 1.00 51.42 C ATOM 1178 O HIS A 77 4.777 7.416 11.693 1.00 13.24 O ATOM 1179 CB HIS A 77 3.953 9.926 9.600 1.00 35.31 C ATOM 1180 CG HIS A 77 4.756 9.011 8.728 1.00 73.31 C ATOM 1181 ND1 HIS A 77 4.252 8.426 7.585 1.00 42.41 N ATOM 1182 CD2 HIS A 77 6.035 8.582 8.836 1.00 71.32 C ATOM 1183 CE1 HIS A 77 5.186 7.676 7.028 1.00 3.14 C ATOM 1184 NE2 HIS A 77 6.278 7.753 7.768 1.00 41.53 N ATOM 0 H HIS A 77 3.261 10.404 12.652 1.00 25.33 H new ATOM 0 HA HIS A 77 2.760 8.489 10.662 1.00 73.42 H new ATOM 0 HB2 HIS A 77 3.085 10.277 9.042 1.00 35.31 H new ATOM 0 HB3 HIS A 77 4.553 10.803 9.842 1.00 35.31 H new ATOM 0 HD2 HIS A 77 6.734 8.843 9.617 1.00 71.32 H new ATOM 0 HE1 HIS A 77 5.076 7.098 6.122 1.00 3.14 H new ATOM 0 HE2 HIS A 77 7.158 7.275 7.577 1.00 41.53 H new ATOM 1192 N GLU A 78 5.539 9.481 12.164 1.00 74.12 N ATOM 1193 CA GLU A 78 6.713 9.002 12.883 1.00 44.12 C ATOM 1194 C GLU A 78 6.395 8.781 14.359 1.00 43.02 C ATOM 1195 O GLU A 78 5.804 9.640 15.012 1.00 33.54 O ATOM 1196 CB GLU A 78 7.866 9.998 12.742 1.00 42.32 C ATOM 1197 CG GLU A 78 7.493 11.420 13.128 1.00 30.43 C ATOM 1198 CD GLU A 78 8.696 12.340 13.199 1.00 21.24 C ATOM 1199 OE1 GLU A 78 9.714 11.941 13.804 1.00 54.53 O ATOM 1200 OE2 GLU A 78 8.620 13.459 12.650 1.00 74.21 O ATOM 0 H GLU A 78 5.458 10.497 12.116 1.00 74.12 H new ATOM 0 HA GLU A 78 7.010 8.048 12.447 1.00 44.12 H new ATOM 0 HB2 GLU A 78 8.698 9.668 13.364 1.00 42.32 H new ATOM 0 HB3 GLU A 78 8.217 9.991 11.710 1.00 42.32 H new ATOM 0 HG2 GLU A 78 6.781 11.814 12.403 1.00 30.43 H new ATOM 0 HG3 GLU A 78 6.990 11.410 14.095 1.00 30.43 H new ATOM 1207 N ALA A 79 6.792 7.623 14.877 1.00 42.15 N ATOM 1208 CA ALA A 79 6.551 7.289 16.275 1.00 63.03 C ATOM 1209 C ALA A 79 7.534 6.230 16.763 1.00 34.22 C ATOM 1210 O ALA A 79 7.298 5.032 16.605 1.00 40.45 O ATOM 1211 CB ALA A 79 5.119 6.811 16.464 1.00 63.31 C ATOM 0 H ALA A 79 7.282 6.901 14.349 1.00 42.15 H new ATOM 0 HA ALA A 79 6.703 8.190 16.870 1.00 63.03 H new ATOM 0 HB1 ALA A 79 4.953 6.565 17.513 1.00 63.31 H new ATOM 0 HB2 ALA A 79 4.429 7.600 16.163 1.00 63.31 H new ATOM 0 HB3 ALA A 79 4.947 5.925 15.852 1.00 63.31 H new ATOM 1217 N GLN A 80 8.635 6.679 17.357 1.00 53.34 N ATOM 1218 CA GLN A 80 9.653 5.769 17.866 1.00 21.15 C ATOM 1219 C GLN A 80 9.919 6.023 19.347 1.00 52.24 C ATOM 1220 O GLN A 80 9.762 7.143 19.833 1.00 45.45 O ATOM 1221 CB GLN A 80 10.950 5.923 17.070 1.00 73.44 C ATOM 1222 CG GLN A 80 11.816 7.082 17.535 1.00 53.34 C ATOM 1223 CD GLN A 80 13.079 7.235 16.710 1.00 33.31 C ATOM 1224 OE1 GLN A 80 14.151 6.778 17.106 1.00 23.50 O ATOM 1225 NE2 GLN A 80 12.958 7.880 15.556 1.00 62.13 N ATOM 0 H GLN A 80 8.844 7.667 17.497 1.00 53.34 H new ATOM 0 HA GLN A 80 9.283 4.750 17.751 1.00 21.15 H new ATOM 0 HB2 GLN A 80 11.524 4.999 17.144 1.00 73.44 H new ATOM 0 HB3 GLN A 80 10.706 6.063 16.017 1.00 73.44 H new ATOM 0 HG2 GLN A 80 11.239 8.005 17.483 1.00 53.34 H new ATOM 0 HG3 GLN A 80 12.085 6.933 18.581 1.00 53.34 H new ATOM 0 HE21 GLN A 80 12.049 8.242 15.267 1.00 62.13 H new ATOM 0 HE22 GLN A 80 13.774 8.013 14.958 1.00 62.13 H new ATOM 1234 N VAL A 81 10.321 4.976 20.059 1.00 21.51 N ATOM 1235 CA VAL A 81 10.609 5.085 21.484 1.00 1.32 C ATOM 1236 C VAL A 81 11.888 4.338 21.845 1.00 0.25 C ATOM 1237 O VAL A 81 12.095 3.201 21.423 1.00 43.33 O ATOM 1238 CB VAL A 81 9.449 4.536 22.335 1.00 11.02 C ATOM 1239 CG1 VAL A 81 9.588 4.986 23.782 1.00 72.24 C ATOM 1240 CG2 VAL A 81 8.111 4.974 21.758 1.00 3.31 C ATOM 0 H VAL A 81 10.455 4.042 19.672 1.00 21.51 H new ATOM 0 HA VAL A 81 10.738 6.146 21.700 1.00 1.32 H new ATOM 0 HB VAL A 81 9.489 3.447 22.313 1.00 11.02 H new ATOM 0 HG11 VAL A 81 8.759 4.588 24.368 1.00 72.24 H new ATOM 0 HG12 VAL A 81 10.530 4.617 24.189 1.00 72.24 H new ATOM 0 HG13 VAL A 81 9.575 6.075 23.827 1.00 72.24 H new ATOM 0 HG21 VAL A 81 7.303 4.577 22.372 1.00 3.31 H new ATOM 0 HG22 VAL A 81 8.058 6.063 21.748 1.00 3.31 H new ATOM 0 HG23 VAL A 81 8.013 4.597 20.740 1.00 3.31 H new ATOM 1250 N ALA A 82 12.743 4.985 22.631 1.00 51.32 N ATOM 1251 CA ALA A 82 14.001 4.381 23.052 1.00 40.34 C ATOM 1252 C ALA A 82 13.896 3.824 24.467 1.00 30.21 C ATOM 1253 O ALA A 82 13.417 4.500 25.377 1.00 11.25 O ATOM 1254 CB ALA A 82 15.130 5.398 22.965 1.00 14.11 C ATOM 0 H ALA A 82 12.587 5.927 22.989 1.00 51.32 H new ATOM 0 HA ALA A 82 14.221 3.552 22.379 1.00 40.34 H new ATOM 0 HB1 ALA A 82 16.064 4.933 23.282 1.00 14.11 H new ATOM 0 HB2 ALA A 82 15.229 5.745 21.936 1.00 14.11 H new ATOM 0 HB3 ALA A 82 14.907 6.245 23.614 1.00 14.11 H new ATOM 1260 N PHE A 83 14.346 2.586 24.645 1.00 0.25 N ATOM 1261 CA PHE A 83 14.301 1.937 25.951 1.00 41.15 C ATOM 1262 C PHE A 83 15.709 1.669 26.473 1.00 3.15 C ATOM 1263 O PHE A 83 16.261 0.580 26.315 1.00 72.21 O ATOM 1264 CB PHE A 83 13.518 0.625 25.864 1.00 5.15 C ATOM 1265 CG PHE A 83 12.215 0.752 25.129 1.00 63.45 C ATOM 1266 CD1 PHE A 83 11.337 1.783 25.420 1.00 44.32 C ATOM 1267 CD2 PHE A 83 11.868 -0.161 24.145 1.00 4.32 C ATOM 1268 CE1 PHE A 83 10.137 1.901 24.745 1.00 43.45 C ATOM 1269 CE2 PHE A 83 10.670 -0.047 23.466 1.00 33.42 C ATOM 1270 CZ PHE A 83 9.804 0.986 23.766 1.00 74.32 C ATOM 0 H PHE A 83 14.746 2.012 23.902 1.00 0.25 H new ATOM 0 HA PHE A 83 13.797 2.608 26.646 1.00 41.15 H new ATOM 0 HB2 PHE A 83 14.134 -0.124 25.367 1.00 5.15 H new ATOM 0 HB3 PHE A 83 13.323 0.260 26.872 1.00 5.15 H new ATOM 0 HD1 PHE A 83 11.593 2.503 26.183 1.00 44.32 H new ATOM 0 HD2 PHE A 83 12.542 -0.971 23.906 1.00 4.32 H new ATOM 0 HE1 PHE A 83 9.460 2.708 24.983 1.00 43.45 H new ATOM 0 HE2 PHE A 83 10.411 -0.765 22.702 1.00 33.42 H new ATOM 0 HZ PHE A 83 8.868 1.078 23.236 1.00 74.32 H new ATOM 1280 N PRO A 84 16.306 2.686 27.112 1.00 3.40 N ATOM 1281 CA PRO A 84 17.658 2.586 27.671 1.00 35.15 C ATOM 1282 C PRO A 84 17.716 1.662 28.883 1.00 10.34 C ATOM 1283 O PRO A 84 16.904 1.775 29.802 1.00 52.22 O ATOM 1284 CB PRO A 84 17.980 4.025 28.080 1.00 1.42 C ATOM 1285 CG PRO A 84 16.652 4.660 28.313 1.00 64.25 C ATOM 1286 CD PRO A 84 15.708 4.013 27.337 1.00 30.15 C ATOM 0 HA PRO A 84 18.365 2.163 26.957 1.00 35.15 H new ATOM 0 HB2 PRO A 84 18.595 4.053 28.979 1.00 1.42 H new ATOM 0 HB3 PRO A 84 18.535 4.544 27.298 1.00 1.42 H new ATOM 0 HG2 PRO A 84 16.320 4.505 29.339 1.00 64.25 H new ATOM 0 HG3 PRO A 84 16.701 5.737 28.153 1.00 64.25 H new ATOM 0 HD2 PRO A 84 14.700 3.936 27.744 1.00 30.15 H new ATOM 0 HD3 PRO A 84 15.635 4.583 26.411 1.00 30.15 H new ATOM 1294 N TYR A 85 18.681 0.750 28.880 1.00 61.34 N ATOM 1295 CA TYR A 85 18.844 -0.195 29.978 1.00 0.03 C ATOM 1296 C TYR A 85 19.348 0.511 31.234 1.00 74.14 C ATOM 1297 O TYR A 85 19.925 1.595 31.160 1.00 0.11 O ATOM 1298 CB TYR A 85 19.815 -1.308 29.582 1.00 71.44 C ATOM 1299 CG TYR A 85 19.422 -2.030 28.313 1.00 63.55 C ATOM 1300 CD1 TYR A 85 18.091 -2.316 28.036 1.00 53.40 C ATOM 1301 CD2 TYR A 85 20.382 -2.429 27.391 1.00 44.44 C ATOM 1302 CE1 TYR A 85 17.727 -2.976 26.878 1.00 1.21 C ATOM 1303 CE2 TYR A 85 20.028 -3.088 26.230 1.00 50.24 C ATOM 1304 CZ TYR A 85 18.699 -3.359 25.978 1.00 63.31 C ATOM 1305 OH TYR A 85 18.342 -4.017 24.823 1.00 22.12 O ATOM 0 H TYR A 85 19.363 0.645 28.129 1.00 61.34 H new ATOM 0 HA TYR A 85 17.869 -0.632 30.194 1.00 0.03 H new ATOM 0 HB2 TYR A 85 20.810 -0.882 29.455 1.00 71.44 H new ATOM 0 HB3 TYR A 85 19.879 -2.030 30.396 1.00 71.44 H new ATOM 0 HD1 TYR A 85 17.327 -2.017 28.738 1.00 53.40 H new ATOM 0 HD2 TYR A 85 21.424 -2.220 27.586 1.00 44.44 H new ATOM 0 HE1 TYR A 85 16.687 -3.191 26.679 1.00 1.21 H new ATOM 0 HE2 TYR A 85 20.787 -3.389 25.523 1.00 50.24 H new ATOM 0 HH TYR A 85 18.642 -3.500 24.046 1.00 22.12 H new ATOM 1315 N ALA A 86 19.124 -0.113 32.385 1.00 23.54 N ATOM 1316 CA ALA A 86 19.557 0.452 33.657 1.00 11.12 C ATOM 1317 C ALA A 86 20.571 -0.455 34.345 1.00 65.33 C ATOM 1318 O ALA A 86 21.321 -0.017 35.218 1.00 51.02 O ATOM 1319 CB ALA A 86 18.358 0.689 34.564 1.00 5.51 C ATOM 0 H ALA A 86 18.645 -1.010 32.463 1.00 23.54 H new ATOM 0 HA ALA A 86 20.042 1.407 33.455 1.00 11.12 H new ATOM 0 HB1 ALA A 86 18.696 1.111 35.511 1.00 5.51 H new ATOM 0 HB2 ALA A 86 17.669 1.383 34.082 1.00 5.51 H new ATOM 0 HB3 ALA A 86 17.849 -0.257 34.750 1.00 5.51 H new ATOM 1325 N LYS A 87 20.590 -1.723 33.946 1.00 2.33 N ATOM 1326 CA LYS A 87 21.513 -2.693 34.523 1.00 30.03 C ATOM 1327 C LYS A 87 21.783 -3.834 33.548 1.00 40.15 C ATOM 1328 O LYS A 87 20.921 -4.195 32.747 1.00 64.05 O ATOM 1329 CB LYS A 87 20.948 -3.250 35.832 1.00 55.12 C ATOM 1330 CG LYS A 87 21.779 -4.375 36.424 1.00 40.23 C ATOM 1331 CD LYS A 87 23.125 -3.873 36.918 1.00 43.51 C ATOM 1332 CE LYS A 87 22.965 -2.884 38.063 1.00 63.11 C ATOM 1333 NZ LYS A 87 23.902 -3.176 39.183 1.00 65.23 N ATOM 0 H LYS A 87 19.976 -2.102 33.225 1.00 2.33 H new ATOM 0 HA LYS A 87 22.454 -2.183 34.728 1.00 30.03 H new ATOM 0 HB2 LYS A 87 20.876 -2.442 36.560 1.00 55.12 H new ATOM 0 HB3 LYS A 87 19.935 -3.612 35.656 1.00 55.12 H new ATOM 0 HG2 LYS A 87 21.236 -4.834 37.250 1.00 40.23 H new ATOM 0 HG3 LYS A 87 21.932 -5.150 35.673 1.00 40.23 H new ATOM 0 HD2 LYS A 87 23.731 -4.717 37.247 1.00 43.51 H new ATOM 0 HD3 LYS A 87 23.661 -3.397 36.097 1.00 43.51 H new ATOM 0 HE2 LYS A 87 23.141 -1.873 37.697 1.00 63.11 H new ATOM 0 HE3 LYS A 87 21.939 -2.916 38.430 1.00 63.11 H new ATOM 0 HZ1 LYS A 87 23.762 -2.480 39.943 1.00 65.23 H new ATOM 0 HZ2 LYS A 87 23.718 -4.132 39.550 1.00 65.23 H new ATOM 0 HZ3 LYS A 87 24.882 -3.120 38.839 1.00 65.23 H new ATOM 1347 N ALA A 88 22.984 -4.398 33.622 1.00 70.22 N ATOM 1348 CA ALA A 88 23.366 -5.500 32.748 1.00 75.45 C ATOM 1349 C ALA A 88 22.270 -6.560 32.689 1.00 11.53 C ATOM 1350 O ALA A 88 21.952 -7.194 33.695 1.00 31.22 O ATOM 1351 CB ALA A 88 24.675 -6.118 33.217 1.00 54.40 C ATOM 0 H ALA A 88 23.709 -4.110 34.279 1.00 70.22 H new ATOM 0 HA ALA A 88 23.505 -5.101 31.743 1.00 75.45 H new ATOM 0 HB1 ALA A 88 24.947 -6.940 32.555 1.00 54.40 H new ATOM 0 HB2 ALA A 88 25.461 -5.363 33.200 1.00 54.40 H new ATOM 0 HB3 ALA A 88 24.556 -6.495 34.233 1.00 54.40 H new ATOM 1357 N VAL A 89 21.695 -6.745 31.505 1.00 30.23 N ATOM 1358 CA VAL A 89 20.635 -7.728 31.316 1.00 72.10 C ATOM 1359 C VAL A 89 21.106 -8.882 30.438 1.00 33.11 C ATOM 1360 O VAL A 89 20.664 -9.030 29.299 1.00 3.13 O ATOM 1361 CB VAL A 89 19.385 -7.090 30.680 1.00 63.40 C ATOM 1362 CG1 VAL A 89 18.662 -6.212 31.689 1.00 15.00 C ATOM 1363 CG2 VAL A 89 19.766 -6.292 29.442 1.00 24.14 C ATOM 0 H VAL A 89 21.945 -6.227 30.663 1.00 30.23 H new ATOM 0 HA VAL A 89 20.377 -8.109 32.304 1.00 72.10 H new ATOM 0 HB VAL A 89 18.706 -7.887 30.376 1.00 63.40 H new ATOM 0 HG11 VAL A 89 17.782 -5.770 31.222 1.00 15.00 H new ATOM 0 HG12 VAL A 89 18.355 -6.816 32.543 1.00 15.00 H new ATOM 0 HG13 VAL A 89 19.330 -5.420 32.027 1.00 15.00 H new ATOM 0 HG21 VAL A 89 18.871 -5.848 29.005 1.00 24.14 H new ATOM 0 HG22 VAL A 89 20.465 -5.502 29.719 1.00 24.14 H new ATOM 0 HG23 VAL A 89 20.236 -6.953 28.713 1.00 24.14 H new ATOM 1373 N GLY A 90 22.006 -9.699 30.977 1.00 73.43 N ATOM 1374 CA GLY A 90 22.522 -10.831 30.229 1.00 51.23 C ATOM 1375 C GLY A 90 21.435 -11.814 29.841 1.00 43.10 C ATOM 1376 O GLY A 90 21.636 -12.658 28.968 1.00 2.33 O ATOM 0 H GLY A 90 22.387 -9.597 31.918 1.00 73.43 H new ATOM 0 HA2 GLY A 90 23.020 -10.471 29.329 1.00 51.23 H new ATOM 0 HA3 GLY A 90 23.275 -11.344 30.827 1.00 51.23 H new ATOM 1380 N GLU A 91 20.281 -11.706 30.492 1.00 5.24 N ATOM 1381 CA GLU A 91 19.160 -12.595 30.212 1.00 43.12 C ATOM 1382 C GLU A 91 18.122 -11.901 29.334 1.00 24.41 C ATOM 1383 O GLU A 91 18.113 -10.679 29.188 1.00 13.15 O ATOM 1384 CB GLU A 91 18.511 -13.061 31.517 1.00 43.03 C ATOM 1385 CG GLU A 91 19.390 -12.858 32.740 1.00 54.21 C ATOM 1386 CD GLU A 91 18.779 -13.439 34.000 1.00 74.51 C ATOM 1387 OE1 GLU A 91 17.876 -12.795 34.574 1.00 24.45 O ATOM 1388 OE2 GLU A 91 19.203 -14.540 34.411 1.00 3.30 O ATOM 0 H GLU A 91 20.098 -11.012 31.217 1.00 5.24 H new ATOM 0 HA GLU A 91 19.543 -13.463 29.675 1.00 43.12 H new ATOM 0 HB2 GLU A 91 17.574 -12.522 31.660 1.00 43.03 H new ATOM 0 HB3 GLU A 91 18.261 -14.118 31.431 1.00 43.03 H new ATOM 0 HG2 GLU A 91 20.362 -13.320 32.565 1.00 54.21 H new ATOM 0 HG3 GLU A 91 19.565 -11.792 32.884 1.00 54.21 H new ATOM 1395 N PRO A 92 17.227 -12.700 28.734 1.00 42.10 N ATOM 1396 CA PRO A 92 16.168 -12.186 27.860 1.00 3.23 C ATOM 1397 C PRO A 92 15.106 -11.410 28.632 1.00 72.34 C ATOM 1398 O PRO A 92 14.772 -11.756 29.765 1.00 12.22 O ATOM 1399 CB PRO A 92 15.566 -13.453 27.249 1.00 65.44 C ATOM 1400 CG PRO A 92 15.860 -14.528 28.238 1.00 2.31 C ATOM 1401 CD PRO A 92 17.179 -14.166 28.863 1.00 64.03 C ATOM 0 HA PRO A 92 16.554 -11.483 27.122 1.00 3.23 H new ATOM 0 HB2 PRO A 92 14.493 -13.344 27.090 1.00 65.44 H new ATOM 0 HB3 PRO A 92 16.011 -13.675 26.279 1.00 65.44 H new ATOM 0 HG2 PRO A 92 15.075 -14.590 28.992 1.00 2.31 H new ATOM 0 HG3 PRO A 92 15.913 -15.502 27.752 1.00 2.31 H new ATOM 0 HD2 PRO A 92 17.229 -14.479 29.906 1.00 64.03 H new ATOM 0 HD3 PRO A 92 18.012 -14.642 28.347 1.00 64.03 H new ATOM 1409 N TYR A 93 14.578 -10.362 28.010 1.00 1.43 N ATOM 1410 CA TYR A 93 13.554 -9.536 28.640 1.00 43.23 C ATOM 1411 C TYR A 93 12.284 -9.506 27.796 1.00 52.44 C ATOM 1412 O TYR A 93 12.280 -9.935 26.642 1.00 72.22 O ATOM 1413 CB TYR A 93 14.075 -8.113 28.849 1.00 12.22 C ATOM 1414 CG TYR A 93 15.124 -7.697 27.843 1.00 72.43 C ATOM 1415 CD1 TYR A 93 16.464 -8.009 28.037 1.00 33.02 C ATOM 1416 CD2 TYR A 93 14.775 -6.994 26.696 1.00 34.03 C ATOM 1417 CE1 TYR A 93 17.425 -7.631 27.121 1.00 44.25 C ATOM 1418 CE2 TYR A 93 15.729 -6.613 25.773 1.00 4.15 C ATOM 1419 CZ TYR A 93 17.053 -6.933 25.990 1.00 24.23 C ATOM 1420 OH TYR A 93 18.008 -6.556 25.074 1.00 2.20 O ATOM 0 H TYR A 93 14.842 -10.064 27.071 1.00 1.43 H new ATOM 0 HA TYR A 93 13.314 -9.974 29.609 1.00 43.23 H new ATOM 0 HB2 TYR A 93 13.237 -7.417 28.796 1.00 12.22 H new ATOM 0 HB3 TYR A 93 14.494 -8.032 29.852 1.00 12.22 H new ATOM 0 HD1 TYR A 93 16.759 -8.557 28.920 1.00 33.02 H new ATOM 0 HD2 TYR A 93 13.739 -6.741 26.523 1.00 34.03 H new ATOM 0 HE1 TYR A 93 18.462 -7.880 27.288 1.00 44.25 H new ATOM 0 HE2 TYR A 93 15.440 -6.068 24.887 1.00 4.15 H new ATOM 0 HH TYR A 93 18.373 -5.682 25.324 1.00 2.20 H new ATOM 1430 N LYS A 94 11.206 -8.994 28.380 1.00 54.25 N ATOM 1431 CA LYS A 94 9.928 -8.904 27.683 1.00 33.02 C ATOM 1432 C LYS A 94 9.598 -7.456 27.336 1.00 14.24 C ATOM 1433 O LYS A 94 9.885 -6.541 28.109 1.00 3.40 O ATOM 1434 CB LYS A 94 8.812 -9.501 28.544 1.00 54.43 C ATOM 1435 CG LYS A 94 7.564 -9.861 27.757 1.00 75.13 C ATOM 1436 CD LYS A 94 6.333 -9.163 28.311 1.00 4.35 C ATOM 1437 CE LYS A 94 5.567 -10.062 29.269 1.00 15.53 C ATOM 1438 NZ LYS A 94 4.698 -11.031 28.545 1.00 2.34 N ATOM 0 H LYS A 94 11.192 -8.635 29.335 1.00 54.25 H new ATOM 0 HA LYS A 94 10.007 -9.472 26.756 1.00 33.02 H new ATOM 0 HB2 LYS A 94 9.188 -10.395 29.042 1.00 54.43 H new ATOM 0 HB3 LYS A 94 8.546 -8.788 29.325 1.00 54.43 H new ATOM 0 HG2 LYS A 94 7.700 -9.585 26.711 1.00 75.13 H new ATOM 0 HG3 LYS A 94 7.414 -10.940 27.785 1.00 75.13 H new ATOM 0 HD2 LYS A 94 6.632 -8.251 28.827 1.00 4.35 H new ATOM 0 HD3 LYS A 94 5.681 -8.866 27.489 1.00 4.35 H new ATOM 0 HE2 LYS A 94 6.271 -10.606 29.898 1.00 15.53 H new ATOM 0 HE3 LYS A 94 4.955 -9.449 29.931 1.00 15.53 H new ATOM 0 HZ1 LYS A 94 4.193 -11.625 29.233 1.00 2.34 H new ATOM 0 HZ2 LYS A 94 4.009 -10.512 27.964 1.00 2.34 H new ATOM 0 HZ3 LYS A 94 5.285 -11.633 27.932 1.00 2.34 H new ATOM 1452 N LEU A 95 8.991 -7.255 26.172 1.00 45.44 N ATOM 1453 CA LEU A 95 8.620 -5.917 25.723 1.00 4.01 C ATOM 1454 C LEU A 95 7.118 -5.822 25.480 1.00 54.35 C ATOM 1455 O LEU A 95 6.512 -6.728 24.907 1.00 42.22 O ATOM 1456 CB LEU A 95 9.380 -5.557 24.445 1.00 74.32 C ATOM 1457 CG LEU A 95 8.718 -4.516 23.541 1.00 33.34 C ATOM 1458 CD1 LEU A 95 8.563 -3.194 24.276 1.00 54.44 C ATOM 1459 CD2 LEU A 95 9.524 -4.328 22.265 1.00 71.45 C ATOM 0 H LEU A 95 8.745 -8.001 25.522 1.00 45.44 H new ATOM 0 HA LEU A 95 8.888 -5.210 26.508 1.00 4.01 H new ATOM 0 HB2 LEU A 95 10.368 -5.191 24.725 1.00 74.32 H new ATOM 0 HB3 LEU A 95 9.530 -6.468 23.866 1.00 74.32 H new ATOM 0 HG LEU A 95 7.726 -4.876 23.270 1.00 33.34 H new ATOM 0 HD11 LEU A 95 8.090 -2.465 23.618 1.00 54.44 H new ATOM 0 HD12 LEU A 95 7.943 -3.340 25.161 1.00 54.44 H new ATOM 0 HD13 LEU A 95 9.544 -2.828 24.577 1.00 54.44 H new ATOM 0 HD21 LEU A 95 9.038 -3.584 21.634 1.00 71.45 H new ATOM 0 HD22 LEU A 95 10.529 -3.990 22.516 1.00 71.45 H new ATOM 0 HD23 LEU A 95 9.583 -5.275 21.729 1.00 71.45 H new ATOM 1471 N VAL A 96 6.521 -4.717 25.917 1.00 43.05 N ATOM 1472 CA VAL A 96 5.090 -4.501 25.743 1.00 32.21 C ATOM 1473 C VAL A 96 4.812 -3.142 25.110 1.00 34.34 C ATOM 1474 O VAL A 96 5.153 -2.101 25.674 1.00 75.33 O ATOM 1475 CB VAL A 96 4.342 -4.593 27.086 1.00 14.43 C ATOM 1476 CG1 VAL A 96 2.838 -4.548 26.864 1.00 75.00 C ATOM 1477 CG2 VAL A 96 4.741 -5.856 27.833 1.00 23.03 C ATOM 0 H VAL A 96 7.007 -3.958 26.394 1.00 43.05 H new ATOM 0 HA VAL A 96 4.729 -5.287 25.080 1.00 32.21 H new ATOM 0 HB VAL A 96 4.621 -3.734 27.696 1.00 14.43 H new ATOM 0 HG11 VAL A 96 2.326 -4.614 27.824 1.00 75.00 H new ATOM 0 HG12 VAL A 96 2.570 -3.612 26.374 1.00 75.00 H new ATOM 0 HG13 VAL A 96 2.538 -5.386 26.234 1.00 75.00 H new ATOM 0 HG21 VAL A 96 4.203 -5.904 28.780 1.00 23.03 H new ATOM 0 HG22 VAL A 96 4.493 -6.729 27.230 1.00 23.03 H new ATOM 0 HG23 VAL A 96 5.814 -5.841 28.026 1.00 23.03 H new ATOM 1487 N LEU A 97 4.190 -3.159 23.937 1.00 51.24 N ATOM 1488 CA LEU A 97 3.864 -1.927 23.226 1.00 64.12 C ATOM 1489 C LEU A 97 2.359 -1.800 23.018 1.00 14.35 C ATOM 1490 O LEU A 97 1.685 -2.769 22.667 1.00 14.41 O ATOM 1491 CB LEU A 97 4.582 -1.890 21.875 1.00 13.43 C ATOM 1492 CG LEU A 97 5.627 -0.787 21.701 1.00 73.04 C ATOM 1493 CD1 LEU A 97 6.720 -1.235 20.743 1.00 1.21 C ATOM 1494 CD2 LEU A 97 4.972 0.494 21.204 1.00 4.25 C ATOM 0 H LEU A 97 3.901 -4.012 23.458 1.00 51.24 H new ATOM 0 HA LEU A 97 4.200 -1.086 23.833 1.00 64.12 H new ATOM 0 HB2 LEU A 97 5.069 -2.852 21.718 1.00 13.43 H new ATOM 0 HB3 LEU A 97 3.833 -1.780 21.091 1.00 13.43 H new ATOM 0 HG LEU A 97 6.082 -0.586 22.671 1.00 73.04 H new ATOM 0 HD11 LEU A 97 7.455 -0.438 20.631 1.00 1.21 H new ATOM 0 HD12 LEU A 97 7.208 -2.126 21.139 1.00 1.21 H new ATOM 0 HD13 LEU A 97 6.281 -1.463 19.772 1.00 1.21 H new ATOM 0 HD21 LEU A 97 5.730 1.268 21.086 1.00 4.25 H new ATOM 0 HD22 LEU A 97 4.491 0.308 20.244 1.00 4.25 H new ATOM 0 HD23 LEU A 97 4.225 0.825 21.926 1.00 4.25 H new ATOM 1506 N THR A 98 1.836 -0.597 23.236 1.00 10.23 N ATOM 1507 CA THR A 98 0.410 -0.342 23.073 1.00 44.34 C ATOM 1508 C THR A 98 0.168 0.912 22.241 1.00 43.44 C ATOM 1509 O THR A 98 0.657 1.993 22.572 1.00 72.11 O ATOM 1510 CB THR A 98 -0.292 -0.184 24.434 1.00 31.14 C ATOM 1511 OG1 THR A 98 -0.003 -1.312 25.268 1.00 1.22 O ATOM 1512 CG2 THR A 98 -1.797 -0.052 24.255 1.00 61.51 C ATOM 0 H THR A 98 2.379 0.216 23.526 1.00 10.23 H new ATOM 0 HA THR A 98 -0.008 -1.205 22.555 1.00 44.34 H new ATOM 0 HB THR A 98 0.082 0.723 24.908 1.00 31.14 H new ATOM 0 HG1 THR A 98 -0.452 -1.203 26.132 1.00 1.22 H new ATOM 0 HG21 THR A 98 -2.271 0.058 25.230 1.00 61.51 H new ATOM 0 HG22 THR A 98 -2.015 0.824 23.644 1.00 61.51 H new ATOM 0 HG23 THR A 98 -2.184 -0.944 23.762 1.00 61.51 H new ATOM 1520 N TYR A 99 -0.589 0.762 21.160 1.00 42.25 N ATOM 1521 CA TYR A 99 -0.894 1.883 20.279 1.00 55.23 C ATOM 1522 C TYR A 99 -2.384 2.212 20.312 1.00 2.25 C ATOM 1523 O TYR A 99 -3.228 1.318 20.273 1.00 15.12 O ATOM 1524 CB TYR A 99 -0.463 1.565 18.846 1.00 54.41 C ATOM 1525 CG TYR A 99 0.415 0.340 18.736 1.00 71.34 C ATOM 1526 CD1 TYR A 99 1.730 0.361 19.183 1.00 44.23 C ATOM 1527 CD2 TYR A 99 -0.070 -0.839 18.183 1.00 21.44 C ATOM 1528 CE1 TYR A 99 2.537 -0.756 19.083 1.00 30.04 C ATOM 1529 CE2 TYR A 99 0.729 -1.962 18.081 1.00 11.25 C ATOM 1530 CZ TYR A 99 2.032 -1.915 18.533 1.00 75.24 C ATOM 1531 OH TYR A 99 2.831 -3.031 18.431 1.00 11.34 O ATOM 0 H TYR A 99 -1.003 -0.125 20.873 1.00 42.25 H new ATOM 0 HA TYR A 99 -0.340 2.752 20.634 1.00 55.23 H new ATOM 0 HB2 TYR A 99 -1.352 1.421 18.232 1.00 54.41 H new ATOM 0 HB3 TYR A 99 0.071 2.423 18.437 1.00 54.41 H new ATOM 0 HD1 TYR A 99 2.129 1.266 19.616 1.00 44.23 H new ATOM 0 HD2 TYR A 99 -1.089 -0.878 17.827 1.00 21.44 H new ATOM 0 HE1 TYR A 99 3.558 -0.721 19.434 1.00 30.04 H new ATOM 0 HE2 TYR A 99 0.336 -2.871 17.650 1.00 11.25 H new ATOM 0 HH TYR A 99 3.488 -3.031 19.159 1.00 11.34 H new ATOM 1541 N GLN A 100 -2.697 3.502 20.385 1.00 64.01 N ATOM 1542 CA GLN A 100 -4.084 3.950 20.424 1.00 4.12 C ATOM 1543 C GLN A 100 -4.211 5.374 19.893 1.00 60.14 C ATOM 1544 O GLN A 100 -3.549 6.290 20.379 1.00 53.14 O ATOM 1545 CB GLN A 100 -4.625 3.876 21.853 1.00 74.02 C ATOM 1546 CG GLN A 100 -6.040 4.413 21.996 1.00 52.45 C ATOM 1547 CD GLN A 100 -6.672 4.048 23.324 1.00 30.02 C ATOM 1548 OE1 GLN A 100 -5.990 3.958 24.345 1.00 2.34 O ATOM 1549 NE2 GLN A 100 -7.983 3.835 23.318 1.00 23.21 N ATOM 0 H GLN A 100 -2.009 4.255 20.418 1.00 64.01 H new ATOM 0 HA GLN A 100 -4.671 3.290 19.786 1.00 4.12 H new ATOM 0 HB2 GLN A 100 -4.603 2.839 22.188 1.00 74.02 H new ATOM 0 HB3 GLN A 100 -3.964 4.438 22.513 1.00 74.02 H new ATOM 0 HG2 GLN A 100 -6.025 5.498 21.891 1.00 52.45 H new ATOM 0 HG3 GLN A 100 -6.656 4.023 21.186 1.00 52.45 H new ATOM 0 HE21 GLN A 100 -8.510 3.920 22.449 1.00 23.21 H new ATOM 0 HE22 GLN A 100 -8.463 3.586 24.183 1.00 23.21 H new ATOM 1558 N GLY A 101 -5.067 5.552 18.891 1.00 44.15 N ATOM 1559 CA GLY A 101 -5.265 6.867 18.309 1.00 25.01 C ATOM 1560 C GLY A 101 -6.544 6.957 17.502 1.00 54.30 C ATOM 1561 O GLY A 101 -7.491 6.207 17.740 1.00 24.10 O ATOM 0 H GLY A 101 -5.627 4.809 18.472 1.00 44.15 H new ATOM 0 HA2 GLY A 101 -5.287 7.613 19.103 1.00 25.01 H new ATOM 0 HA3 GLY A 101 -4.417 7.109 17.668 1.00 25.01 H new ATOM 1565 N SER A 102 -6.575 7.880 16.545 1.00 30.43 N ATOM 1566 CA SER A 102 -7.751 8.069 15.704 1.00 43.32 C ATOM 1567 C SER A 102 -7.345 8.410 14.273 1.00 74.41 C ATOM 1568 O SER A 102 -6.170 8.635 13.986 1.00 72.10 O ATOM 1569 CB SER A 102 -8.637 9.179 16.272 1.00 33.04 C ATOM 1570 OG SER A 102 -9.796 8.642 16.886 1.00 21.25 O ATOM 0 H SER A 102 -5.800 8.508 16.333 1.00 30.43 H new ATOM 0 HA SER A 102 -8.313 7.135 15.692 1.00 43.32 H new ATOM 0 HB2 SER A 102 -8.073 9.762 17.000 1.00 33.04 H new ATOM 0 HB3 SER A 102 -8.928 9.861 15.473 1.00 33.04 H new ATOM 0 HG SER A 102 -10.503 8.537 16.215 1.00 21.25 H new ATOM 1576 N ALA A 103 -8.328 8.445 13.379 1.00 71.32 N ATOM 1577 CA ALA A 103 -8.075 8.759 11.978 1.00 15.11 C ATOM 1578 C ALA A 103 -8.298 10.242 11.699 1.00 22.25 C ATOM 1579 O ALA A 103 -9.265 10.834 12.177 1.00 73.50 O ATOM 1580 CB ALA A 103 -8.963 7.912 11.079 1.00 54.14 C ATOM 0 H ALA A 103 -9.306 8.260 13.600 1.00 71.32 H new ATOM 0 HA ALA A 103 -7.032 8.528 11.762 1.00 15.11 H new ATOM 0 HB1 ALA A 103 -8.764 8.157 10.036 1.00 54.14 H new ATOM 0 HB2 ALA A 103 -8.753 6.856 11.251 1.00 54.14 H new ATOM 0 HB3 ALA A 103 -10.010 8.115 11.306 1.00 54.14 H new ATOM 1586 N GLU A 104 -7.395 10.836 10.925 1.00 75.54 N ATOM 1587 CA GLU A 104 -7.494 12.250 10.585 1.00 42.23 C ATOM 1588 C GLU A 104 -8.842 12.563 9.943 1.00 54.11 C ATOM 1589 O GLU A 104 -9.304 13.704 9.968 1.00 20.50 O ATOM 1590 CB GLU A 104 -6.361 12.650 9.637 1.00 23.23 C ATOM 1591 CG GLU A 104 -5.544 13.832 10.130 1.00 3.31 C ATOM 1592 CD GLU A 104 -5.788 15.089 9.318 1.00 15.42 C ATOM 1593 OE1 GLU A 104 -6.962 15.502 9.203 1.00 22.35 O ATOM 1594 OE2 GLU A 104 -4.808 15.660 8.798 1.00 43.45 O ATOM 0 H GLU A 104 -6.588 10.360 10.522 1.00 75.54 H new ATOM 0 HA GLU A 104 -7.408 12.825 11.507 1.00 42.23 H new ATOM 0 HB2 GLU A 104 -5.699 11.796 9.495 1.00 23.23 H new ATOM 0 HB3 GLU A 104 -6.783 12.892 8.662 1.00 23.23 H new ATOM 0 HG2 GLU A 104 -5.787 14.026 11.175 1.00 3.31 H new ATOM 0 HG3 GLU A 104 -4.485 13.578 10.091 1.00 3.31 H new ATOM 1601 N ALA A 105 -9.469 11.542 9.368 1.00 65.43 N ATOM 1602 CA ALA A 105 -10.764 11.706 8.720 1.00 11.34 C ATOM 1603 C ALA A 105 -11.874 11.887 9.751 1.00 45.31 C ATOM 1604 O ALA A 105 -12.882 12.538 9.483 1.00 14.33 O ATOM 1605 CB ALA A 105 -11.062 10.513 7.825 1.00 33.21 C ATOM 0 H ALA A 105 -9.100 10.591 9.338 1.00 65.43 H new ATOM 0 HA ALA A 105 -10.724 12.605 8.105 1.00 11.34 H new ATOM 0 HB1 ALA A 105 -12.032 10.650 7.348 1.00 33.21 H new ATOM 0 HB2 ALA A 105 -10.290 10.430 7.060 1.00 33.21 H new ATOM 0 HB3 ALA A 105 -11.078 9.603 8.425 1.00 33.21 H new ATOM 1611 N GLY A 106 -11.680 11.306 10.931 1.00 62.42 N ATOM 1612 CA GLY A 106 -12.673 11.414 11.983 1.00 32.12 C ATOM 1613 C GLY A 106 -13.172 10.061 12.451 1.00 2.24 C ATOM 1614 O GLY A 106 -14.376 9.854 12.605 1.00 4.22 O ATOM 0 H GLY A 106 -10.853 10.762 11.177 1.00 62.42 H new ATOM 0 HA2 GLY A 106 -12.245 11.952 12.829 1.00 32.12 H new ATOM 0 HA3 GLY A 106 -13.516 12.004 11.623 1.00 32.12 H new ATOM 1618 N VAL A 107 -12.244 9.136 12.677 1.00 13.12 N ATOM 1619 CA VAL A 107 -12.596 7.796 13.130 1.00 30.50 C ATOM 1620 C VAL A 107 -11.862 7.440 14.418 1.00 12.43 C ATOM 1621 O VAL A 107 -10.699 7.802 14.602 1.00 14.33 O ATOM 1622 CB VAL A 107 -12.271 6.738 12.059 1.00 62.14 C ATOM 1623 CG1 VAL A 107 -12.484 5.336 12.610 1.00 43.22 C ATOM 1624 CG2 VAL A 107 -13.115 6.964 10.814 1.00 52.13 C ATOM 0 H VAL A 107 -11.243 9.290 12.554 1.00 13.12 H new ATOM 0 HA VAL A 107 -13.670 7.797 13.316 1.00 30.50 H new ATOM 0 HB VAL A 107 -11.221 6.838 11.782 1.00 62.14 H new ATOM 0 HG11 VAL A 107 -12.249 4.602 11.839 1.00 43.22 H new ATOM 0 HG12 VAL A 107 -11.832 5.180 13.470 1.00 43.22 H new ATOM 0 HG13 VAL A 107 -13.523 5.220 12.917 1.00 43.22 H new ATOM 0 HG21 VAL A 107 -12.872 6.208 10.068 1.00 52.13 H new ATOM 0 HG22 VAL A 107 -14.171 6.893 11.073 1.00 52.13 H new ATOM 0 HG23 VAL A 107 -12.907 7.954 10.408 1.00 52.13 H new ATOM 1634 N CYS A 108 -12.548 6.730 15.307 1.00 52.13 N ATOM 1635 CA CYS A 108 -11.962 6.326 16.579 1.00 24.54 C ATOM 1636 C CYS A 108 -11.951 4.806 16.715 1.00 51.43 C ATOM 1637 O CYS A 108 -13.004 4.171 16.772 1.00 60.31 O ATOM 1638 CB CYS A 108 -12.736 6.948 17.742 1.00 22.13 C ATOM 1639 SG CYS A 108 -12.184 6.399 19.374 1.00 31.33 S ATOM 0 H CYS A 108 -13.511 6.422 15.170 1.00 52.13 H new ATOM 0 HA CYS A 108 -10.932 6.683 16.605 1.00 24.54 H new ATOM 0 HB2 CYS A 108 -12.646 8.033 17.686 1.00 22.13 H new ATOM 0 HB3 CYS A 108 -13.794 6.710 17.629 1.00 22.13 H new ATOM 0 HG CYS A 108 -12.897 6.981 20.292 1.00 31.33 H new ATOM 1645 N TYR A 109 -10.755 4.230 16.764 1.00 51.52 N ATOM 1646 CA TYR A 109 -10.607 2.785 16.888 1.00 52.30 C ATOM 1647 C TYR A 109 -10.057 2.410 18.261 1.00 71.14 C ATOM 1648 O TYR A 109 -9.446 3.221 18.956 1.00 11.43 O ATOM 1649 CB TYR A 109 -9.684 2.250 15.792 1.00 21.13 C ATOM 1650 CG TYR A 109 -8.507 3.153 15.498 1.00 71.53 C ATOM 1651 CD1 TYR A 109 -8.629 4.220 14.616 1.00 20.04 C ATOM 1652 CD2 TYR A 109 -7.273 2.938 16.099 1.00 35.55 C ATOM 1653 CE1 TYR A 109 -7.556 5.047 14.344 1.00 75.14 C ATOM 1654 CE2 TYR A 109 -6.196 3.760 15.834 1.00 51.23 C ATOM 1655 CZ TYR A 109 -6.342 4.813 14.955 1.00 14.30 C ATOM 1656 OH TYR A 109 -5.271 5.634 14.687 1.00 51.24 O ATOM 0 H TYR A 109 -9.874 4.742 16.720 1.00 51.52 H new ATOM 0 HA TYR A 109 -11.592 2.333 16.776 1.00 52.30 H new ATOM 0 HB2 TYR A 109 -9.313 1.269 16.088 1.00 21.13 H new ATOM 0 HB3 TYR A 109 -10.262 2.111 14.878 1.00 21.13 H new ATOM 0 HD1 TYR A 109 -9.578 4.406 14.135 1.00 20.04 H new ATOM 0 HD2 TYR A 109 -7.154 2.113 16.786 1.00 35.55 H new ATOM 0 HE1 TYR A 109 -7.667 5.872 13.656 1.00 75.14 H new ATOM 0 HE2 TYR A 109 -5.245 3.580 16.312 1.00 51.23 H new ATOM 0 HH TYR A 109 -5.339 5.971 13.769 1.00 51.24 H new ATOM 1666 N PRO A 110 -10.278 1.149 18.661 1.00 62.24 N ATOM 1667 CA PRO A 110 -9.812 0.635 19.952 1.00 62.11 C ATOM 1668 C PRO A 110 -8.295 0.490 20.005 1.00 62.11 C ATOM 1669 O PRO A 110 -7.615 0.447 18.979 1.00 10.33 O ATOM 1670 CB PRO A 110 -10.484 -0.737 20.051 1.00 1.12 C ATOM 1671 CG PRO A 110 -10.725 -1.144 18.638 1.00 12.55 C ATOM 1672 CD PRO A 110 -10.999 0.127 17.883 1.00 41.33 C ATOM 0 HA PRO A 110 -10.062 1.308 20.773 1.00 62.11 H new ATOM 0 HB2 PRO A 110 -9.845 -1.454 20.566 1.00 1.12 H new ATOM 0 HB3 PRO A 110 -11.417 -0.681 20.612 1.00 1.12 H new ATOM 0 HG2 PRO A 110 -9.858 -1.663 18.228 1.00 12.55 H new ATOM 0 HG3 PRO A 110 -11.569 -1.830 18.568 1.00 12.55 H new ATOM 0 HD2 PRO A 110 -10.634 0.072 16.857 1.00 41.33 H new ATOM 0 HD3 PRO A 110 -12.067 0.341 17.831 1.00 41.33 H new ATOM 1680 N PRO A 111 -7.749 0.412 21.228 1.00 73.23 N ATOM 1681 CA PRO A 111 -6.306 0.269 21.443 1.00 13.32 C ATOM 1682 C PRO A 111 -5.789 -1.101 21.018 1.00 52.31 C ATOM 1683 O PRO A 111 -6.524 -2.088 21.045 1.00 64.45 O ATOM 1684 CB PRO A 111 -6.154 0.453 22.955 1.00 23.32 C ATOM 1685 CG PRO A 111 -7.474 0.058 23.520 1.00 74.40 C ATOM 1686 CD PRO A 111 -8.499 0.456 22.494 1.00 33.12 C ATOM 0 HA PRO A 111 -5.733 0.984 20.853 1.00 13.32 H new ATOM 0 HB2 PRO A 111 -5.352 -0.170 23.351 1.00 23.32 H new ATOM 0 HB3 PRO A 111 -5.909 1.485 23.205 1.00 23.32 H new ATOM 0 HG2 PRO A 111 -7.511 -1.014 23.713 1.00 74.40 H new ATOM 0 HG3 PRO A 111 -7.658 0.559 24.470 1.00 74.40 H new ATOM 0 HD2 PRO A 111 -9.345 -0.231 22.484 1.00 33.12 H new ATOM 0 HD3 PRO A 111 -8.899 1.451 22.690 1.00 33.12 H new ATOM 1694 N VAL A 112 -4.520 -1.154 20.626 1.00 11.40 N ATOM 1695 CA VAL A 112 -3.904 -2.403 20.196 1.00 31.34 C ATOM 1696 C VAL A 112 -2.627 -2.685 20.980 1.00 12.54 C ATOM 1697 O VAL A 112 -1.645 -1.950 20.872 1.00 53.30 O ATOM 1698 CB VAL A 112 -3.575 -2.379 18.692 1.00 42.40 C ATOM 1699 CG1 VAL A 112 -3.125 -3.753 18.221 1.00 75.40 C ATOM 1700 CG2 VAL A 112 -4.776 -1.898 17.892 1.00 71.21 C ATOM 0 H VAL A 112 -3.898 -0.346 20.597 1.00 11.40 H new ATOM 0 HA VAL A 112 -4.628 -3.195 20.389 1.00 31.34 H new ATOM 0 HB VAL A 112 -2.755 -1.680 18.528 1.00 42.40 H new ATOM 0 HG11 VAL A 112 -2.897 -3.716 17.156 1.00 75.40 H new ATOM 0 HG12 VAL A 112 -2.234 -4.053 18.773 1.00 75.40 H new ATOM 0 HG13 VAL A 112 -3.921 -4.477 18.397 1.00 75.40 H new ATOM 0 HG21 VAL A 112 -4.526 -1.887 16.831 1.00 71.21 H new ATOM 0 HG22 VAL A 112 -5.618 -2.570 18.060 1.00 71.21 H new ATOM 0 HG23 VAL A 112 -5.046 -0.891 18.211 1.00 71.21 H new ATOM 1710 N ASP A 113 -2.647 -3.753 21.770 1.00 54.14 N ATOM 1711 CA ASP A 113 -1.490 -4.133 22.572 1.00 73.25 C ATOM 1712 C ASP A 113 -0.718 -5.268 21.907 1.00 61.52 C ATOM 1713 O ASP A 113 -1.309 -6.204 21.367 1.00 33.44 O ATOM 1714 CB ASP A 113 -1.931 -4.553 23.975 1.00 50.33 C ATOM 1715 CG ASP A 113 -3.081 -5.540 23.949 1.00 21.43 C ATOM 1716 OD1 ASP A 113 -4.211 -5.127 23.614 1.00 31.35 O ATOM 1717 OD2 ASP A 113 -2.851 -6.727 24.263 1.00 5.45 O ATOM 0 H ASP A 113 -3.452 -4.371 21.872 1.00 54.14 H new ATOM 0 HA ASP A 113 -0.833 -3.267 22.650 1.00 73.25 H new ATOM 0 HB2 ASP A 113 -1.086 -4.998 24.500 1.00 50.33 H new ATOM 0 HB3 ASP A 113 -2.227 -3.669 24.539 1.00 50.33 H new ATOM 1722 N THR A 114 0.608 -5.179 21.948 1.00 31.31 N ATOM 1723 CA THR A 114 1.461 -6.197 21.348 1.00 5.22 C ATOM 1724 C THR A 114 2.737 -6.393 22.159 1.00 1.44 C ATOM 1725 O THR A 114 3.439 -5.431 22.470 1.00 12.24 O ATOM 1726 CB THR A 114 1.839 -5.831 19.900 1.00 35.41 C ATOM 1727 OG1 THR A 114 1.109 -4.673 19.481 1.00 11.44 O ATOM 1728 CG2 THR A 114 1.547 -6.989 18.957 1.00 42.44 C ATOM 0 H THR A 114 1.114 -4.412 22.391 1.00 31.31 H new ATOM 0 HA THR A 114 0.890 -7.125 21.344 1.00 5.22 H new ATOM 0 HB THR A 114 2.907 -5.617 19.869 1.00 35.41 H new ATOM 0 HG1 THR A 114 1.710 -4.061 19.008 1.00 11.44 H new ATOM 0 HG21 THR A 114 1.822 -6.708 17.940 1.00 42.44 H new ATOM 0 HG22 THR A 114 2.126 -7.861 19.262 1.00 42.44 H new ATOM 0 HG23 THR A 114 0.484 -7.228 18.993 1.00 42.44 H new ATOM 1736 N GLU A 115 3.031 -7.644 22.498 1.00 4.13 N ATOM 1737 CA GLU A 115 4.224 -7.964 23.274 1.00 32.21 C ATOM 1738 C GLU A 115 5.294 -8.599 22.390 1.00 13.22 C ATOM 1739 O GLU A 115 4.987 -9.376 21.486 1.00 21.10 O ATOM 1740 CB GLU A 115 3.872 -8.909 24.425 1.00 11.44 C ATOM 1741 CG GLU A 115 3.116 -8.233 25.557 1.00 24.05 C ATOM 1742 CD GLU A 115 1.657 -7.993 25.223 1.00 10.22 C ATOM 1743 OE1 GLU A 115 1.071 -8.824 24.498 1.00 54.40 O ATOM 1744 OE2 GLU A 115 1.101 -6.975 25.686 1.00 5.20 O ATOM 0 H GLU A 115 2.461 -8.452 22.248 1.00 4.13 H new ATOM 0 HA GLU A 115 4.620 -7.035 23.684 1.00 32.21 H new ATOM 0 HB2 GLU A 115 3.271 -9.732 24.038 1.00 11.44 H new ATOM 0 HB3 GLU A 115 4.790 -9.344 24.821 1.00 11.44 H new ATOM 0 HG2 GLU A 115 3.183 -8.850 26.453 1.00 24.05 H new ATOM 0 HG3 GLU A 115 3.593 -7.281 25.790 1.00 24.05 H new ATOM 1751 N PHE A 116 6.551 -8.261 22.658 1.00 72.00 N ATOM 1752 CA PHE A 116 7.667 -8.796 21.887 1.00 50.33 C ATOM 1753 C PHE A 116 8.726 -9.395 22.807 1.00 3.00 C ATOM 1754 O PHE A 116 9.208 -8.736 23.729 1.00 35.31 O ATOM 1755 CB PHE A 116 8.289 -7.698 21.022 1.00 40.35 C ATOM 1756 CG PHE A 116 7.317 -7.062 20.070 1.00 53.53 C ATOM 1757 CD1 PHE A 116 6.716 -7.809 19.070 1.00 71.03 C ATOM 1758 CD2 PHE A 116 7.004 -5.716 20.175 1.00 51.23 C ATOM 1759 CE1 PHE A 116 5.820 -7.227 18.192 1.00 4.24 C ATOM 1760 CE2 PHE A 116 6.109 -5.128 19.301 1.00 70.33 C ATOM 1761 CZ PHE A 116 5.517 -5.884 18.308 1.00 65.45 C ATOM 0 H PHE A 116 6.822 -7.619 23.403 1.00 72.00 H new ATOM 0 HA PHE A 116 7.284 -9.586 21.240 1.00 50.33 H new ATOM 0 HB2 PHE A 116 8.706 -6.928 21.671 1.00 40.35 H new ATOM 0 HB3 PHE A 116 9.118 -8.120 20.454 1.00 40.35 H new ATOM 0 HD1 PHE A 116 6.950 -8.859 18.975 1.00 71.03 H new ATOM 0 HD2 PHE A 116 7.465 -5.120 20.949 1.00 51.23 H new ATOM 0 HE1 PHE A 116 5.358 -7.821 17.417 1.00 4.24 H new ATOM 0 HE2 PHE A 116 5.873 -4.078 19.394 1.00 70.33 H new ATOM 0 HZ PHE A 116 4.818 -5.426 17.623 1.00 65.45 H new ATOM 1771 N ASP A 117 9.084 -10.648 22.550 1.00 60.22 N ATOM 1772 CA ASP A 117 10.087 -11.338 23.354 1.00 55.51 C ATOM 1773 C ASP A 117 11.491 -11.053 22.832 1.00 4.51 C ATOM 1774 O ASP A 117 11.812 -11.361 21.684 1.00 52.43 O ATOM 1775 CB ASP A 117 9.824 -12.844 23.352 1.00 24.44 C ATOM 1776 CG ASP A 117 8.540 -13.209 24.070 1.00 74.34 C ATOM 1777 OD1 ASP A 117 7.874 -12.294 24.597 1.00 14.32 O ATOM 1778 OD2 ASP A 117 8.200 -14.410 24.103 1.00 75.24 O ATOM 0 H ASP A 117 8.695 -11.207 21.791 1.00 60.22 H new ATOM 0 HA ASP A 117 10.017 -10.966 24.376 1.00 55.51 H new ATOM 0 HB2 ASP A 117 9.775 -13.200 22.323 1.00 24.44 H new ATOM 0 HB3 ASP A 117 10.661 -13.356 23.827 1.00 24.44 H new ATOM 1783 N ILE A 118 12.324 -10.462 23.682 1.00 23.15 N ATOM 1784 CA ILE A 118 13.694 -10.136 23.307 1.00 44.32 C ATOM 1785 C ILE A 118 14.679 -11.142 23.893 1.00 45.44 C ATOM 1786 O ILE A 118 14.725 -11.348 25.105 1.00 32.35 O ATOM 1787 CB ILE A 118 14.084 -8.721 23.773 1.00 2.25 C ATOM 1788 CG1 ILE A 118 12.936 -7.742 23.520 1.00 40.15 C ATOM 1789 CG2 ILE A 118 15.348 -8.259 23.064 1.00 2.41 C ATOM 1790 CD1 ILE A 118 12.545 -7.634 22.062 1.00 21.03 C ATOM 0 H ILE A 118 12.074 -10.199 24.635 1.00 23.15 H new ATOM 0 HA ILE A 118 13.741 -10.177 22.219 1.00 44.32 H new ATOM 0 HB ILE A 118 14.282 -8.749 24.844 1.00 2.25 H new ATOM 0 HG12 ILE A 118 12.067 -8.056 24.099 1.00 40.15 H new ATOM 0 HG13 ILE A 118 13.223 -6.756 23.885 1.00 40.15 H new ATOM 0 HG21 ILE A 118 15.611 -7.257 23.404 1.00 2.41 H new ATOM 0 HG22 ILE A 118 16.164 -8.945 23.291 1.00 2.41 H new ATOM 0 HG23 ILE A 118 15.176 -8.243 21.988 1.00 2.41 H new ATOM 0 HD11 ILE A 118 11.726 -6.923 21.957 1.00 21.03 H new ATOM 0 HD12 ILE A 118 13.400 -7.291 21.480 1.00 21.03 H new ATOM 0 HD13 ILE A 118 12.227 -8.611 21.697 1.00 21.03 H new ATOM 1802 N PHE A 119 15.469 -11.764 23.023 1.00 13.21 N ATOM 1803 CA PHE A 119 16.455 -12.748 23.454 1.00 52.11 C ATOM 1804 C PHE A 119 17.638 -12.790 22.491 1.00 73.11 C ATOM 1805 O PHE A 119 18.280 -13.826 22.325 1.00 45.22 O ATOM 1806 CB PHE A 119 15.814 -14.134 23.553 1.00 12.32 C ATOM 1807 CG PHE A 119 14.796 -14.401 22.482 1.00 35.30 C ATOM 1808 CD1 PHE A 119 15.103 -14.191 21.147 1.00 20.24 C ATOM 1809 CD2 PHE A 119 13.531 -14.864 22.810 1.00 41.54 C ATOM 1810 CE1 PHE A 119 14.168 -14.436 20.160 1.00 55.00 C ATOM 1811 CE2 PHE A 119 12.592 -15.110 21.826 1.00 35.53 C ATOM 1812 CZ PHE A 119 12.911 -14.897 20.500 1.00 73.33 C ATOM 0 H PHE A 119 15.445 -11.604 22.016 1.00 13.21 H new ATOM 0 HA PHE A 119 16.820 -12.453 24.438 1.00 52.11 H new ATOM 0 HB2 PHE A 119 16.595 -14.892 23.497 1.00 12.32 H new ATOM 0 HB3 PHE A 119 15.339 -14.237 24.529 1.00 12.32 H new ATOM 0 HD1 PHE A 119 16.085 -13.832 20.875 1.00 20.24 H new ATOM 0 HD2 PHE A 119 13.277 -15.034 23.846 1.00 41.54 H new ATOM 0 HE1 PHE A 119 14.420 -14.267 19.123 1.00 55.00 H new ATOM 0 HE2 PHE A 119 11.609 -15.469 22.094 1.00 35.53 H new ATOM 0 HZ PHE A 119 12.179 -15.090 19.730 1.00 73.33 H new ATOM 1822 N GLY A 120 17.918 -11.655 21.858 1.00 65.15 N ATOM 1823 CA GLY A 120 19.022 -11.583 20.918 1.00 25.33 C ATOM 1824 C GLY A 120 18.591 -11.868 19.493 1.00 31.24 C ATOM 1825 O GLY A 120 18.253 -13.002 19.155 1.00 11.42 O ATOM 0 H GLY A 120 17.401 -10.784 21.979 1.00 65.15 H new ATOM 0 HA2 GLY A 120 19.472 -10.591 20.967 1.00 25.33 H new ATOM 0 HA3 GLY A 120 19.792 -12.297 21.211 1.00 25.33 H new ATOM 1829 N ASN A 121 18.601 -10.836 18.656 1.00 13.02 N ATOM 1830 CA ASN A 121 18.205 -10.981 17.260 1.00 40.40 C ATOM 1831 C ASN A 121 18.299 -9.646 16.527 1.00 65.02 C ATOM 1832 O ASN A 121 18.642 -9.597 15.346 1.00 24.23 O ATOM 1833 CB ASN A 121 16.779 -11.527 17.166 1.00 11.14 C ATOM 1834 CG ASN A 121 16.644 -12.614 16.118 1.00 30.41 C ATOM 1835 OD1 ASN A 121 16.967 -13.776 16.367 1.00 3.24 O ATOM 1836 ND2 ASN A 121 16.165 -12.241 14.937 1.00 35.52 N ATOM 0 H ASN A 121 18.879 -9.891 18.920 1.00 13.02 H new ATOM 0 HA ASN A 121 18.888 -11.685 16.786 1.00 40.40 H new ATOM 0 HB2 ASN A 121 16.480 -11.923 18.137 1.00 11.14 H new ATOM 0 HB3 ASN A 121 16.095 -10.711 16.930 1.00 11.14 H new ATOM 0 HD21 ASN A 121 16.052 -12.929 14.192 1.00 35.52 H new ATOM 0 HD22 ASN A 121 15.910 -11.267 14.775 1.00 35.52 H new ATOM 1843 N GLY A 122 17.993 -8.564 17.236 1.00 31.03 N ATOM 1844 CA GLY A 122 18.050 -7.243 16.637 1.00 32.51 C ATOM 1845 C GLY A 122 16.693 -6.764 16.162 1.00 52.43 C ATOM 1846 O GLY A 122 16.063 -5.921 16.803 1.00 64.31 O ATOM 0 H GLY A 122 17.707 -8.578 18.215 1.00 31.03 H new ATOM 0 HA2 GLY A 122 18.448 -6.535 17.364 1.00 32.51 H new ATOM 0 HA3 GLY A 122 18.742 -7.259 15.795 1.00 32.51 H new ATOM 1850 N THR A 123 16.240 -7.299 15.032 1.00 13.13 N ATOM 1851 CA THR A 123 14.950 -6.918 14.470 1.00 63.54 C ATOM 1852 C THR A 123 13.849 -7.868 14.927 1.00 61.11 C ATOM 1853 O THR A 123 14.026 -9.087 14.925 1.00 3.40 O ATOM 1854 CB THR A 123 14.992 -6.902 12.930 1.00 60.51 C ATOM 1855 OG1 THR A 123 16.343 -7.036 12.475 1.00 62.20 O ATOM 1856 CG2 THR A 123 14.394 -5.614 12.386 1.00 74.13 C ATOM 0 H THR A 123 16.747 -7.997 14.488 1.00 13.13 H new ATOM 0 HA THR A 123 14.732 -5.913 14.831 1.00 63.54 H new ATOM 0 HB THR A 123 14.401 -7.742 12.564 1.00 60.51 H new ATOM 0 HG1 THR A 123 16.361 -7.027 11.495 1.00 62.20 H new ATOM 0 HG21 THR A 123 14.435 -5.626 11.297 1.00 74.13 H new ATOM 0 HG22 THR A 123 13.357 -5.529 12.710 1.00 74.13 H new ATOM 0 HG23 THR A 123 14.962 -4.762 12.761 1.00 74.13 H new ATOM 1864 N TYR A 124 12.712 -7.303 15.318 1.00 60.44 N ATOM 1865 CA TYR A 124 11.582 -8.101 15.779 1.00 11.44 C ATOM 1866 C TYR A 124 10.270 -7.566 15.212 1.00 23.12 C ATOM 1867 O TYR A 124 10.104 -6.359 15.032 1.00 62.33 O ATOM 1868 CB TYR A 124 11.525 -8.105 17.308 1.00 60.50 C ATOM 1869 CG TYR A 124 12.758 -8.691 17.958 1.00 43.01 C ATOM 1870 CD1 TYR A 124 13.949 -7.976 18.005 1.00 72.41 C ATOM 1871 CD2 TYR A 124 12.732 -9.959 18.526 1.00 44.20 C ATOM 1872 CE1 TYR A 124 15.078 -8.508 18.597 1.00 41.10 C ATOM 1873 CE2 TYR A 124 13.856 -10.498 19.122 1.00 45.25 C ATOM 1874 CZ TYR A 124 15.027 -9.769 19.154 1.00 11.30 C ATOM 1875 OH TYR A 124 16.149 -10.301 19.746 1.00 22.11 O ATOM 0 H TYR A 124 12.548 -6.296 15.325 1.00 60.44 H new ATOM 0 HA TYR A 124 11.721 -9.122 15.424 1.00 11.44 H new ATOM 0 HB2 TYR A 124 11.389 -7.083 17.661 1.00 60.50 H new ATOM 0 HB3 TYR A 124 10.651 -8.672 17.629 1.00 60.50 H new ATOM 0 HD1 TYR A 124 13.992 -6.988 17.571 1.00 72.41 H new ATOM 0 HD2 TYR A 124 11.818 -10.533 18.501 1.00 44.20 H new ATOM 0 HE1 TYR A 124 15.996 -7.940 18.624 1.00 41.10 H new ATOM 0 HE2 TYR A 124 13.818 -11.484 19.560 1.00 45.25 H new ATOM 0 HH TYR A 124 15.944 -11.196 20.090 1.00 22.11 H new ATOM 1885 N HIS A 125 9.340 -8.474 14.934 1.00 42.05 N ATOM 1886 CA HIS A 125 8.042 -8.095 14.388 1.00 75.41 C ATOM 1887 C HIS A 125 6.945 -9.022 14.903 1.00 74.41 C ATOM 1888 O HIS A 125 7.187 -10.179 15.250 1.00 44.45 O ATOM 1889 CB HIS A 125 8.078 -8.129 12.860 1.00 54.53 C ATOM 1890 CG HIS A 125 8.707 -6.914 12.249 1.00 74.21 C ATOM 1891 ND1 HIS A 125 7.976 -5.898 11.671 1.00 15.10 N ATOM 1892 CD2 HIS A 125 10.006 -6.556 12.130 1.00 43.44 C ATOM 1893 CE1 HIS A 125 8.798 -4.967 11.221 1.00 24.51 C ATOM 1894 NE2 HIS A 125 10.037 -5.342 11.487 1.00 34.23 N ATOM 0 H HIS A 125 9.461 -9.477 15.078 1.00 42.05 H new ATOM 0 HA HIS A 125 7.820 -7.080 14.716 1.00 75.41 H new ATOM 0 HB2 HIS A 125 8.627 -9.014 12.537 1.00 54.53 H new ATOM 0 HB3 HIS A 125 7.060 -8.230 12.483 1.00 54.53 H new ATOM 0 HD2 HIS A 125 10.860 -7.119 12.476 1.00 43.44 H new ATOM 0 HE1 HIS A 125 8.507 -4.055 10.721 1.00 24.51 H new ATOM 0 HE2 HIS A 125 10.879 -4.816 11.253 1.00 34.23 H new ATOM 1902 N PRO A 126 5.708 -8.505 14.956 1.00 62.14 N ATOM 1903 CA PRO A 126 4.550 -9.270 15.427 1.00 13.52 C ATOM 1904 C PRO A 126 4.151 -10.376 14.457 1.00 62.13 C ATOM 1905 O PRO A 126 4.347 -10.253 13.248 1.00 23.40 O ATOM 1906 CB PRO A 126 3.443 -8.216 15.520 1.00 4.32 C ATOM 1907 CG PRO A 126 3.842 -7.161 14.547 1.00 45.30 C ATOM 1908 CD PRO A 126 5.346 -7.134 14.558 1.00 31.23 C ATOM 0 HA PRO A 126 4.754 -9.779 16.369 1.00 13.52 H new ATOM 0 HB2 PRO A 126 2.471 -8.640 15.268 1.00 4.32 H new ATOM 0 HB3 PRO A 126 3.363 -7.814 16.530 1.00 4.32 H new ATOM 0 HG2 PRO A 126 3.463 -7.386 13.550 1.00 45.30 H new ATOM 0 HG3 PRO A 126 3.432 -6.192 14.832 1.00 45.30 H new ATOM 0 HD2 PRO A 126 5.751 -6.880 13.578 1.00 31.23 H new ATOM 0 HD3 PRO A 126 5.730 -6.396 15.263 1.00 31.23 H new ATOM 1916 N GLN A 127 3.591 -11.455 14.994 1.00 0.11 N ATOM 1917 CA GLN A 127 3.165 -12.583 14.174 1.00 5.11 C ATOM 1918 C GLN A 127 1.644 -12.678 14.127 1.00 61.32 C ATOM 1919 O GLN A 127 1.067 -13.727 14.416 1.00 22.15 O ATOM 1920 CB GLN A 127 3.753 -13.886 14.718 1.00 64.32 C ATOM 1921 CG GLN A 127 5.239 -14.047 14.437 1.00 33.33 C ATOM 1922 CD GLN A 127 5.624 -15.482 14.136 1.00 34.42 C ATOM 1923 OE1 GLN A 127 4.905 -16.417 14.490 1.00 74.32 O ATOM 1924 NE2 GLN A 127 6.763 -15.665 13.479 1.00 1.43 N ATOM 0 H GLN A 127 3.422 -11.572 15.993 1.00 0.11 H new ATOM 0 HA GLN A 127 3.532 -12.422 13.160 1.00 5.11 H new ATOM 0 HB2 GLN A 127 3.589 -13.927 15.795 1.00 64.32 H new ATOM 0 HB3 GLN A 127 3.216 -14.728 14.281 1.00 64.32 H new ATOM 0 HG2 GLN A 127 5.516 -13.416 13.592 1.00 33.33 H new ATOM 0 HG3 GLN A 127 5.808 -13.695 15.298 1.00 33.33 H new ATOM 0 HE21 GLN A 127 7.328 -14.862 13.205 1.00 1.43 H new ATOM 0 HE22 GLN A 127 7.073 -16.609 13.249 1.00 1.43 H new ATOM 1933 N THR A 128 0.998 -11.576 13.760 1.00 51.20 N ATOM 1934 CA THR A 128 -0.456 -11.534 13.676 1.00 35.43 C ATOM 1935 C THR A 128 -1.096 -12.007 14.977 1.00 3.30 C ATOM 1936 O THR A 128 -0.517 -11.861 16.054 1.00 63.20 O ATOM 1937 CB THR A 128 -0.977 -12.404 12.516 1.00 14.33 C ATOM 1938 OG1 THR A 128 -0.151 -12.225 11.361 1.00 63.32 O ATOM 1939 CG2 THR A 128 -2.417 -12.047 12.176 1.00 5.34 C ATOM 0 H THR A 128 1.460 -10.700 13.516 1.00 51.20 H new ATOM 0 HA THR A 128 -0.732 -10.495 13.495 1.00 35.43 H new ATOM 0 HB THR A 128 -0.942 -13.447 12.829 1.00 14.33 H new ATOM 0 HG1 THR A 128 -0.487 -12.782 10.629 1.00 63.32 H new ATOM 0 HG21 THR A 128 -2.763 -12.674 11.354 1.00 5.34 H new ATOM 0 HG22 THR A 128 -3.049 -12.212 13.049 1.00 5.34 H new ATOM 0 HG23 THR A 128 -2.472 -10.999 11.881 1.00 5.34 H new TER 1947 THR A 128