USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 838 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 13 ASN : amide:sc= -0.126 X(o=-0.39,f=-0.89) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.263 X(o=-0.39,f=-0.21) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.102 (180deg=0) USER MOD Single : A 5 SER OG : rot -75:sc= 0.144 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.15) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0995 X(o=-0.099,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 6:sc= 0.4 USER MOD Single : A 32 THR OG1 : rot 170:sc= 0.0492 USER MOD Single : A 34 SER OG : rot 93:sc= 0.0512 USER MOD Single : A 35 THR OG1 : rot 172:sc= 1.03 USER MOD Single : A 41 SER OG : rot 180:sc= 0.13 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.31 (180deg=1.13) USER MOD Single : A 50 TYR OH : rot -175:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.59) USER MOD Single : A 59 GLN : amide:sc= 0.639 X(o=0.64,f=0.53) USER MOD Single : A 60 HIS : no HD1:sc= 0.0943 K(o=0.094,f=-0.78) USER MOD Single : A 64 SER OG : rot 82:sc= 0.159 USER MOD Single : A 65 ASN : amide:sc= -0.774 X(o=-0.77,f=-0.89) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-2.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 72 THR OG1 : rot 160:sc= 0.972 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.631 X(o=-0.63,f=-0.67) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1.08) USER MOD Single : A 89 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -79:sc= 0.21 USER MOD Single : A 98 SER OG : rot -6:sc= 0.507 USER MOD Single : A 102 HIS : no HD1:sc= -0.0998 X(o=-0.1,f=-0.0023) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0685 USER MOD Single : A 107 THR OG1 : rot -72:sc= 0.00242 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.364 -6.439 1.104 1.00 8.29 N ATOM 2 CA GLY A 1 29.067 -7.011 0.674 1.00 7.86 C ATOM 3 C GLY A 1 27.912 -6.075 0.968 1.00 7.10 C ATOM 4 O GLY A 1 28.097 -5.045 1.618 1.00 7.08 O ATOM 0 H1 GLY A 1 30.929 -6.192 0.267 1.00 8.29 H new ATOM 0 H2 GLY A 1 30.195 -5.585 1.672 1.00 8.29 H new ATOM 0 H3 GLY A 1 30.880 -7.139 1.675 1.00 8.29 H new ATOM 0 HA2 GLY A 1 29.100 -7.223 -0.395 1.00 7.86 H new ATOM 0 HA3 GLY A 1 28.903 -7.961 1.182 1.00 7.86 H new ATOM 10 N PRO A 2 26.706 -6.387 0.473 1.00 6.73 N ATOM 11 CA PRO A 2 25.526 -5.554 0.669 1.00 6.29 C ATOM 12 C PRO A 2 24.889 -5.783 2.034 1.00 5.85 C ATOM 13 O PRO A 2 24.021 -6.645 2.190 1.00 6.07 O ATOM 14 CB PRO A 2 24.567 -5.996 -0.448 1.00 6.38 C ATOM 15 CG PRO A 2 25.288 -7.056 -1.222 1.00 6.76 C ATOM 16 CD PRO A 2 26.394 -7.560 -0.341 1.00 7.06 C ATOM 0 HA PRO A 2 25.770 -4.492 0.632 1.00 6.29 H new ATOM 0 HB2 PRO A 2 23.637 -6.383 -0.032 1.00 6.38 H new ATOM 0 HB3 PRO A 2 24.304 -5.156 -1.091 1.00 6.38 H new ATOM 0 HG2 PRO A 2 24.610 -7.866 -1.493 1.00 6.76 H new ATOM 0 HG3 PRO A 2 25.688 -6.651 -2.152 1.00 6.76 H new ATOM 0 HD2 PRO A 2 26.074 -8.405 0.269 1.00 7.06 H new ATOM 0 HD3 PRO A 2 27.255 -7.893 -0.920 1.00 7.06 H new ATOM 24 N LEU A 3 25.320 -5.007 3.015 1.00 5.64 N ATOM 25 CA LEU A 3 24.779 -5.099 4.362 1.00 5.68 C ATOM 26 C LEU A 3 23.383 -4.500 4.404 1.00 5.29 C ATOM 27 O LEU A 3 22.462 -5.068 4.998 1.00 5.56 O ATOM 28 CB LEU A 3 25.689 -4.369 5.353 1.00 6.31 C ATOM 29 CG LEU A 3 27.115 -4.904 5.438 1.00 6.71 C ATOM 30 CD1 LEU A 3 28.119 -3.780 5.246 1.00 7.00 C ATOM 31 CD2 LEU A 3 27.337 -5.597 6.770 1.00 7.22 C ATOM 0 H LEU A 3 26.048 -4.302 2.903 1.00 5.64 H new ATOM 0 HA LEU A 3 24.725 -6.150 4.644 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.729 -3.315 5.077 1.00 6.31 H new ATOM 0 HB3 LEU A 3 25.238 -4.422 6.344 1.00 6.31 H new ATOM 0 HG LEU A 3 27.262 -5.632 4.640 1.00 6.71 H new ATOM 0 HD11 LEU A 3 29.131 -4.181 5.310 1.00 7.00 H new ATOM 0 HD12 LEU A 3 27.971 -3.323 4.268 1.00 7.00 H new ATOM 0 HD13 LEU A 3 27.977 -3.029 6.023 1.00 7.00 H new ATOM 0 HD21 LEU A 3 28.358 -5.974 6.818 1.00 7.22 H new ATOM 0 HD22 LEU A 3 27.174 -4.887 7.581 1.00 7.22 H new ATOM 0 HD23 LEU A 3 26.638 -6.428 6.869 1.00 7.22 H new ATOM 43 N GLY A 4 23.219 -3.387 3.708 1.00 4.99 N ATOM 44 CA GLY A 4 21.928 -2.752 3.622 1.00 4.95 C ATOM 45 C GLY A 4 21.274 -3.002 2.286 1.00 4.12 C ATOM 46 O GLY A 4 21.621 -2.368 1.288 1.00 4.21 O ATOM 0 H GLY A 4 23.964 -2.912 3.199 1.00 4.99 H new ATOM 0 HA2 GLY A 4 21.284 -3.126 4.418 1.00 4.95 H new ATOM 0 HA3 GLY A 4 22.039 -1.679 3.779 1.00 4.95 H new ATOM 50 N SER A 5 20.345 -3.944 2.261 1.00 3.64 N ATOM 51 CA SER A 5 19.635 -4.290 1.044 1.00 3.04 C ATOM 52 C SER A 5 18.743 -3.138 0.593 1.00 2.18 C ATOM 53 O SER A 5 18.554 -2.160 1.316 1.00 2.49 O ATOM 54 CB SER A 5 18.790 -5.537 1.284 1.00 3.40 C ATOM 55 OG SER A 5 18.834 -5.921 2.650 1.00 4.18 O ATOM 0 H SER A 5 20.065 -4.486 3.078 1.00 3.64 H new ATOM 0 HA SER A 5 20.364 -4.488 0.258 1.00 3.04 H new ATOM 0 HB2 SER A 5 17.758 -5.345 0.989 1.00 3.40 H new ATOM 0 HB3 SER A 5 19.153 -6.354 0.660 1.00 3.40 H new ATOM 0 HG SER A 5 19.698 -6.340 2.844 1.00 4.18 H new ATOM 61 N VAL A 6 18.170 -3.272 -0.589 1.00 1.77 N ATOM 62 CA VAL A 6 17.283 -2.251 -1.111 1.00 1.55 C ATOM 63 C VAL A 6 15.828 -2.600 -0.819 1.00 1.64 C ATOM 64 O VAL A 6 14.909 -2.027 -1.400 1.00 2.57 O ATOM 65 CB VAL A 6 17.477 -2.051 -2.620 1.00 2.21 C ATOM 66 CG1 VAL A 6 18.756 -1.275 -2.899 1.00 2.77 C ATOM 67 CG2 VAL A 6 17.485 -3.389 -3.332 1.00 2.87 C ATOM 0 H VAL A 6 18.303 -4.075 -1.203 1.00 1.77 H new ATOM 0 HA VAL A 6 17.534 -1.317 -0.609 1.00 1.55 H new ATOM 0 HB VAL A 6 16.641 -1.466 -3.004 1.00 2.21 H new ATOM 0 HG11 VAL A 6 18.875 -1.144 -3.975 1.00 2.77 H new ATOM 0 HG12 VAL A 6 18.701 -0.298 -2.418 1.00 2.77 H new ATOM 0 HG13 VAL A 6 19.609 -1.826 -2.504 1.00 2.77 H new ATOM 0 HG21 VAL A 6 17.623 -3.231 -4.402 1.00 2.87 H new ATOM 0 HG22 VAL A 6 18.301 -4.001 -2.947 1.00 2.87 H new ATOM 0 HG23 VAL A 6 16.537 -3.898 -3.160 1.00 2.87 H new ATOM 77 N LYS A 7 15.627 -3.427 0.198 1.00 1.09 N ATOM 78 CA LYS A 7 14.294 -3.681 0.701 1.00 1.10 C ATOM 79 C LYS A 7 14.104 -2.880 1.983 1.00 0.91 C ATOM 80 O LYS A 7 14.809 -3.087 2.975 1.00 0.98 O ATOM 81 CB LYS A 7 14.040 -5.187 0.918 1.00 1.37 C ATOM 82 CG LYS A 7 14.742 -5.797 2.124 1.00 1.06 C ATOM 83 CD LYS A 7 13.742 -6.413 3.090 1.00 1.05 C ATOM 84 CE LYS A 7 13.918 -5.872 4.501 1.00 1.34 C ATOM 85 NZ LYS A 7 12.749 -5.062 4.943 1.00 2.06 N ATOM 0 H LYS A 7 16.369 -3.929 0.685 1.00 1.09 H new ATOM 0 HA LYS A 7 13.559 -3.361 -0.037 1.00 1.10 H new ATOM 0 HB2 LYS A 7 12.967 -5.346 1.024 1.00 1.37 H new ATOM 0 HB3 LYS A 7 14.356 -5.725 0.024 1.00 1.37 H new ATOM 0 HG2 LYS A 7 15.446 -6.559 1.791 1.00 1.06 H new ATOM 0 HG3 LYS A 7 15.322 -5.030 2.637 1.00 1.06 H new ATOM 0 HD2 LYS A 7 12.729 -6.208 2.745 1.00 1.05 H new ATOM 0 HD3 LYS A 7 13.863 -7.496 3.098 1.00 1.05 H new ATOM 0 HE2 LYS A 7 14.064 -6.703 5.191 1.00 1.34 H new ATOM 0 HE3 LYS A 7 14.819 -5.260 4.544 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 12.858 -4.814 5.947 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.695 -4.192 4.375 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 11.876 -5.613 4.816 1.00 2.06 H new ATOM 99 N PRO A 8 13.305 -1.817 1.910 1.00 0.74 N ATOM 100 CA PRO A 8 13.147 -0.880 3.019 1.00 0.60 C ATOM 101 C PRO A 8 12.376 -1.499 4.175 1.00 0.52 C ATOM 102 O PRO A 8 11.877 -2.622 4.071 1.00 0.60 O ATOM 103 CB PRO A 8 12.364 0.290 2.404 1.00 0.61 C ATOM 104 CG PRO A 8 12.486 0.108 0.928 1.00 0.84 C ATOM 105 CD PRO A 8 12.596 -1.368 0.709 1.00 0.81 C ATOM 0 HA PRO A 8 14.105 -0.577 3.441 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.320 0.274 2.718 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.777 1.249 2.718 1.00 0.61 H new ATOM 0 HG2 PRO A 8 11.618 0.517 0.410 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.362 0.628 0.541 1.00 0.84 H new ATOM 0 HD2 PRO A 8 11.617 -1.838 0.617 1.00 0.81 H new ATOM 0 HD3 PRO A 8 13.150 -1.603 -0.200 1.00 0.81 H new ATOM 113 N ASP A 9 12.247 -0.754 5.258 1.00 0.44 N ATOM 114 CA ASP A 9 11.494 -1.225 6.411 1.00 0.48 C ATOM 115 C ASP A 9 10.012 -1.009 6.163 1.00 0.41 C ATOM 116 O ASP A 9 9.650 -0.231 5.278 1.00 0.41 O ATOM 117 CB ASP A 9 11.925 -0.480 7.677 1.00 0.61 C ATOM 118 CG ASP A 9 13.057 -1.170 8.410 1.00 1.02 C ATOM 119 OD1 ASP A 9 12.795 -2.180 9.096 1.00 1.19 O ATOM 120 OD2 ASP A 9 14.213 -0.715 8.293 1.00 1.53 O ATOM 0 H ASP A 9 12.651 0.176 5.365 1.00 0.44 H new ATOM 0 HA ASP A 9 11.692 -2.287 6.554 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.234 0.531 7.410 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.070 -0.386 8.346 1.00 0.61 H new ATOM 125 N PRO A 10 9.136 -1.708 6.910 1.00 0.56 N ATOM 126 CA PRO A 10 7.686 -1.574 6.757 1.00 0.74 C ATOM 127 C PRO A 10 7.245 -0.112 6.722 1.00 0.67 C ATOM 128 O PRO A 10 7.532 0.644 7.655 1.00 0.97 O ATOM 129 CB PRO A 10 7.137 -2.270 8.001 1.00 1.05 C ATOM 130 CG PRO A 10 8.161 -3.299 8.330 1.00 1.12 C ATOM 131 CD PRO A 10 9.488 -2.706 7.940 1.00 0.78 C ATOM 0 HA PRO A 10 7.328 -2.002 5.821 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.002 -1.567 8.823 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.165 -2.724 7.806 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.140 -3.544 9.392 1.00 1.12 H new ATOM 0 HG3 PRO A 10 7.973 -4.224 7.786 1.00 1.12 H new ATOM 0 HD2 PRO A 10 9.986 -2.243 8.792 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.166 -3.464 7.548 1.00 0.78 H new ATOM 139 N PRO A 11 6.689 0.327 5.574 1.00 0.37 N ATOM 140 CA PRO A 11 6.311 1.717 5.329 1.00 0.38 C ATOM 141 C PRO A 11 5.707 2.410 6.548 1.00 0.28 C ATOM 142 O PRO A 11 4.899 1.830 7.275 1.00 0.35 O ATOM 143 CB PRO A 11 5.268 1.587 4.224 1.00 0.50 C ATOM 144 CG PRO A 11 5.646 0.356 3.461 1.00 0.64 C ATOM 145 CD PRO A 11 6.536 -0.480 4.352 1.00 0.41 C ATOM 0 HA PRO A 11 7.175 2.331 5.075 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.264 1.498 4.640 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.269 2.465 3.578 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.756 -0.205 3.174 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.166 0.621 2.541 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.085 -1.448 4.569 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.499 -0.675 3.881 1.00 0.41 H new ATOM 153 N GLU A 12 6.083 3.663 6.738 1.00 0.28 N ATOM 154 CA GLU A 12 5.560 4.464 7.828 1.00 0.30 C ATOM 155 C GLU A 12 4.401 5.313 7.337 1.00 0.28 C ATOM 156 O GLU A 12 4.152 5.383 6.134 1.00 0.31 O ATOM 157 CB GLU A 12 6.651 5.368 8.399 1.00 0.47 C ATOM 158 CG GLU A 12 7.797 4.611 9.040 1.00 0.98 C ATOM 159 CD GLU A 12 7.517 4.225 10.476 1.00 1.58 C ATOM 160 OE1 GLU A 12 6.592 4.798 11.089 1.00 2.09 O ATOM 161 OE2 GLU A 12 8.228 3.347 11.001 1.00 2.11 O ATOM 0 H GLU A 12 6.755 4.150 6.145 1.00 0.28 H new ATOM 0 HA GLU A 12 5.211 3.793 8.613 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.044 5.997 7.600 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.208 6.034 9.140 1.00 0.47 H new ATOM 0 HG2 GLU A 12 8.001 3.711 8.460 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.697 5.225 9.003 1.00 0.98 H new ATOM 168 N ASN A 13 3.721 5.970 8.270 1.00 0.33 N ATOM 169 CA ASN A 13 2.600 6.862 7.954 1.00 0.37 C ATOM 170 C ASN A 13 1.597 6.186 7.024 1.00 0.32 C ATOM 171 O ASN A 13 1.152 6.774 6.035 1.00 0.35 O ATOM 172 CB ASN A 13 3.110 8.160 7.323 1.00 0.45 C ATOM 173 CG ASN A 13 2.327 9.374 7.782 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.961 9.487 8.953 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.063 10.289 6.865 1.00 1.01 N ATOM 0 H ASN A 13 3.927 5.903 9.267 1.00 0.33 H new ATOM 0 HA ASN A 13 2.090 7.097 8.888 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.162 8.294 7.574 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.049 8.081 6.238 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.538 11.127 7.117 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.384 10.157 5.906 1.00 1.01 H new ATOM 182 N VAL A 14 1.292 4.932 7.321 1.00 0.30 N ATOM 183 CA VAL A 14 0.395 4.138 6.496 1.00 0.29 C ATOM 184 C VAL A 14 -1.047 4.326 6.934 1.00 0.32 C ATOM 185 O VAL A 14 -1.507 3.692 7.883 1.00 0.47 O ATOM 186 CB VAL A 14 0.740 2.635 6.546 1.00 0.34 C ATOM 187 CG1 VAL A 14 1.147 2.139 5.170 1.00 0.45 C ATOM 188 CG2 VAL A 14 1.835 2.352 7.564 1.00 0.69 C ATOM 0 H VAL A 14 1.657 4.439 8.136 1.00 0.30 H new ATOM 0 HA VAL A 14 0.521 4.489 5.472 1.00 0.29 H new ATOM 0 HB VAL A 14 -0.153 2.096 6.861 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.387 1.077 5.222 1.00 0.45 H new ATOM 0 HG12 VAL A 14 0.325 2.291 4.471 1.00 0.45 H new ATOM 0 HG13 VAL A 14 2.022 2.692 4.828 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.055 1.284 7.575 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.735 2.905 7.294 1.00 0.69 H new ATOM 0 HG23 VAL A 14 1.501 2.664 8.554 1.00 0.69 H new ATOM 198 N VAL A 15 -1.749 5.214 6.254 1.00 0.27 N ATOM 199 CA VAL A 15 -3.130 5.501 6.582 1.00 0.35 C ATOM 200 C VAL A 15 -3.982 5.596 5.324 1.00 0.34 C ATOM 201 O VAL A 15 -3.787 6.486 4.492 1.00 0.39 O ATOM 202 CB VAL A 15 -3.274 6.814 7.390 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.260 6.528 8.884 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.179 7.809 7.021 1.00 1.48 C ATOM 0 H VAL A 15 -1.382 5.750 5.468 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.480 4.673 7.199 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.234 7.263 7.135 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.362 7.463 9.434 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.089 5.866 9.136 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.319 6.049 9.154 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.305 8.721 7.604 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.204 7.373 7.236 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.245 8.045 5.959 1.00 1.48 H new ATOM 214 N ALA A 16 -4.954 4.709 5.213 1.00 0.35 N ATOM 215 CA ALA A 16 -5.901 4.756 4.117 1.00 0.38 C ATOM 216 C ALA A 16 -7.150 5.500 4.558 1.00 0.36 C ATOM 217 O ALA A 16 -7.885 5.030 5.427 1.00 0.39 O ATOM 218 CB ALA A 16 -6.253 3.354 3.655 1.00 0.45 C ATOM 0 H ALA A 16 -5.107 3.945 5.872 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.448 5.284 3.278 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.965 3.410 2.832 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.350 2.844 3.320 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.697 2.799 4.482 1.00 0.45 H new ATOM 224 N ARG A 17 -7.360 6.681 4.004 1.00 0.37 N ATOM 225 CA ARG A 17 -8.502 7.500 4.383 1.00 0.37 C ATOM 226 C ARG A 17 -9.455 7.655 3.207 1.00 0.35 C ATOM 227 O ARG A 17 -9.075 8.162 2.155 1.00 0.48 O ATOM 228 CB ARG A 17 -8.049 8.875 4.892 1.00 0.50 C ATOM 229 CG ARG A 17 -6.938 9.511 4.072 1.00 1.21 C ATOM 230 CD ARG A 17 -7.098 11.021 3.997 1.00 1.69 C ATOM 231 NE ARG A 17 -6.211 11.615 2.999 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.005 12.114 3.264 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.536 12.128 4.512 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.273 12.610 2.277 1.00 3.99 N ATOM 0 H ARG A 17 -6.758 7.095 3.292 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.027 6.996 5.195 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -8.907 9.547 4.902 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.711 8.774 5.923 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -5.972 9.268 4.515 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.942 9.093 3.065 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -8.132 11.265 3.754 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.889 11.457 4.974 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.538 11.650 2.033 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -5.102 11.754 5.274 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.611 12.512 4.705 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.634 12.608 1.323 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.348 12.994 2.471 1.00 3.99 H new ATOM 248 N PRO A 18 -10.679 7.131 3.336 1.00 0.31 N ATOM 249 CA PRO A 18 -11.663 7.140 2.253 1.00 0.38 C ATOM 250 C PRO A 18 -12.006 8.545 1.777 1.00 0.39 C ATOM 251 O PRO A 18 -11.985 9.505 2.552 1.00 0.46 O ATOM 252 CB PRO A 18 -12.902 6.478 2.867 1.00 0.49 C ATOM 253 CG PRO A 18 -12.672 6.497 4.339 1.00 0.57 C ATOM 254 CD PRO A 18 -11.185 6.432 4.525 1.00 0.43 C ATOM 0 HA PRO A 18 -11.279 6.625 1.373 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.809 7.022 2.604 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.025 5.458 2.502 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.082 7.402 4.787 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.163 5.652 4.822 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.871 6.922 5.447 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.828 5.403 4.573 1.00 0.43 H new ATOM 262 N VAL A 19 -12.379 8.641 0.514 1.00 0.40 N ATOM 263 CA VAL A 19 -12.819 9.897 -0.064 1.00 0.45 C ATOM 264 C VAL A 19 -14.312 10.073 0.190 1.00 0.48 C ATOM 265 O VAL A 19 -15.116 9.252 -0.242 1.00 0.47 O ATOM 266 CB VAL A 19 -12.529 9.933 -1.582 1.00 0.47 C ATOM 267 CG1 VAL A 19 -13.017 11.229 -2.211 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.042 9.737 -1.842 1.00 0.52 C ATOM 0 H VAL A 19 -12.386 7.855 -0.137 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.270 10.714 0.405 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.077 9.114 -2.047 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.797 11.221 -3.279 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -14.093 11.323 -2.063 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.511 12.074 -1.743 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.854 9.765 -2.915 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.479 10.533 -1.354 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.727 8.773 -1.443 1.00 0.52 H new ATOM 278 N PRO A 20 -14.695 11.081 0.994 1.00 0.58 N ATOM 279 CA PRO A 20 -16.093 11.278 1.409 1.00 0.69 C ATOM 280 C PRO A 20 -17.010 11.623 0.238 1.00 0.70 C ATOM 281 O PRO A 20 -18.232 11.636 0.376 1.00 1.27 O ATOM 282 CB PRO A 20 -16.024 12.449 2.394 1.00 0.84 C ATOM 283 CG PRO A 20 -14.597 12.520 2.820 1.00 0.97 C ATOM 284 CD PRO A 20 -13.791 12.040 1.647 1.00 0.67 C ATOM 0 HA PRO A 20 -16.512 10.369 1.840 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.341 13.379 1.922 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.682 12.285 3.247 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.321 13.539 3.092 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.420 11.897 3.697 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.522 12.859 0.980 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.861 11.567 1.963 1.00 0.67 H new ATOM 292 N SER A 21 -16.409 11.895 -0.909 1.00 0.80 N ATOM 293 CA SER A 21 -17.157 12.218 -2.111 1.00 0.85 C ATOM 294 C SER A 21 -17.106 11.057 -3.103 1.00 0.65 C ATOM 295 O SER A 21 -17.428 11.218 -4.281 1.00 0.69 O ATOM 296 CB SER A 21 -16.580 13.485 -2.746 1.00 1.07 C ATOM 297 OG SER A 21 -15.654 14.109 -1.869 1.00 1.49 O ATOM 0 H SER A 21 -15.396 11.898 -1.032 1.00 0.80 H new ATOM 0 HA SER A 21 -18.200 12.392 -1.845 1.00 0.85 H new ATOM 0 HB2 SER A 21 -16.087 13.235 -3.685 1.00 1.07 H new ATOM 0 HB3 SER A 21 -17.387 14.178 -2.984 1.00 1.07 H new ATOM 0 HG SER A 21 -15.295 14.916 -2.293 1.00 1.49 H new ATOM 303 N ASN A 22 -16.647 9.899 -2.635 1.00 0.55 N ATOM 304 CA ASN A 22 -16.508 8.733 -3.498 1.00 0.44 C ATOM 305 C ASN A 22 -16.642 7.436 -2.707 1.00 0.40 C ATOM 306 O ASN A 22 -15.718 7.027 -1.998 1.00 0.43 O ATOM 307 CB ASN A 22 -15.158 8.764 -4.211 1.00 0.57 C ATOM 308 CG ASN A 22 -15.251 8.250 -5.629 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.425 7.053 -5.857 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.135 9.151 -6.591 1.00 1.28 N ATOM 0 H ASN A 22 -16.366 9.745 -1.667 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.310 8.767 -4.235 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.777 9.785 -4.221 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.441 8.161 -3.654 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -15.189 8.864 -7.568 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.992 10.133 -6.355 1.00 1.28 H new ATOM 317 N PRO A 23 -17.792 6.758 -2.839 1.00 0.40 N ATOM 318 CA PRO A 23 -18.072 5.499 -2.132 1.00 0.43 C ATOM 319 C PRO A 23 -17.352 4.297 -2.744 1.00 0.48 C ATOM 320 O PRO A 23 -17.949 3.244 -2.971 1.00 0.98 O ATOM 321 CB PRO A 23 -19.584 5.351 -2.280 1.00 0.56 C ATOM 322 CG PRO A 23 -19.911 6.046 -3.555 1.00 0.70 C ATOM 323 CD PRO A 23 -18.926 7.177 -3.686 1.00 0.48 C ATOM 0 HA PRO A 23 -17.724 5.528 -1.099 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.877 4.302 -2.315 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.110 5.801 -1.438 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.833 5.363 -4.401 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.934 6.421 -3.542 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.619 7.322 -4.722 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.353 8.120 -3.345 1.00 0.48 H new ATOM 331 N ARG A 24 -16.057 4.453 -2.970 1.00 0.31 N ATOM 332 CA ARG A 24 -15.223 3.381 -3.515 1.00 0.27 C ATOM 333 C ARG A 24 -13.745 3.762 -3.461 1.00 0.26 C ATOM 334 O ARG A 24 -12.862 2.907 -3.612 1.00 0.31 O ATOM 335 CB ARG A 24 -15.618 3.067 -4.961 1.00 0.35 C ATOM 336 CG ARG A 24 -15.923 1.596 -5.198 1.00 0.37 C ATOM 337 CD ARG A 24 -16.104 1.286 -6.673 1.00 0.62 C ATOM 338 NE ARG A 24 -17.466 1.561 -7.122 1.00 1.27 N ATOM 339 CZ ARG A 24 -17.787 2.544 -7.960 1.00 2.02 C ATOM 340 NH1 ARG A 24 -16.846 3.324 -8.472 1.00 2.44 N ATOM 341 NH2 ARG A 24 -19.053 2.739 -8.301 1.00 2.86 N ATOM 0 H ARG A 24 -15.552 5.319 -2.784 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.383 2.494 -2.902 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.493 3.659 -5.228 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.811 3.375 -5.625 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.113 0.988 -4.796 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.827 1.321 -4.656 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.402 1.880 -7.258 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -15.866 0.238 -6.856 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.216 0.964 -6.773 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -15.868 3.173 -8.225 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -17.100 4.075 -9.114 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -19.782 2.135 -7.921 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -19.298 3.493 -8.943 1.00 2.86 H new ATOM 355 N ARG A 25 -13.487 5.063 -3.339 1.00 0.23 N ATOM 356 CA ARG A 25 -12.136 5.588 -3.385 1.00 0.26 C ATOM 357 C ARG A 25 -11.550 5.770 -1.993 1.00 0.24 C ATOM 358 O ARG A 25 -12.190 6.329 -1.098 1.00 0.24 O ATOM 359 CB ARG A 25 -12.127 6.927 -4.118 1.00 0.32 C ATOM 360 CG ARG A 25 -10.823 7.225 -4.834 1.00 0.51 C ATOM 361 CD ARG A 25 -11.017 8.288 -5.899 1.00 0.80 C ATOM 362 NE ARG A 25 -10.511 7.858 -7.201 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.795 8.632 -8.013 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.502 9.877 -7.659 1.00 2.14 N ATOM 365 NH2 ARG A 25 -9.380 8.168 -9.185 1.00 2.31 N ATOM 0 H ARG A 25 -14.207 5.773 -3.207 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.519 4.864 -3.917 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -12.940 6.939 -4.844 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.328 7.724 -3.402 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.077 7.559 -4.113 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.439 6.313 -5.291 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.077 8.527 -5.983 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.507 9.202 -5.596 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.719 6.907 -7.506 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -9.826 10.242 -6.763 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -8.953 10.469 -8.283 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -9.610 7.215 -9.466 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -8.831 8.765 -9.804 1.00 2.31 H new ATOM 379 N LEU A 26 -10.297 5.380 -1.857 1.00 0.29 N ATOM 380 CA LEU A 26 -9.551 5.574 -0.633 1.00 0.35 C ATOM 381 C LEU A 26 -8.265 6.323 -0.928 1.00 0.39 C ATOM 382 O LEU A 26 -7.487 5.913 -1.793 1.00 0.44 O ATOM 383 CB LEU A 26 -9.204 4.231 0.006 1.00 0.44 C ATOM 384 CG LEU A 26 -10.360 3.507 0.686 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.418 2.066 0.217 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.204 3.568 2.193 1.00 0.43 C ATOM 0 H LEU A 26 -9.768 4.918 -2.597 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.170 6.149 0.056 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -8.793 3.578 -0.764 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.416 4.392 0.742 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.294 4.000 0.416 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -11.247 1.557 0.708 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.565 2.040 -0.863 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.484 1.564 0.468 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.036 3.047 2.666 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.267 3.092 2.481 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.197 4.609 2.516 1.00 0.43 H new ATOM 398 N GLU A 27 -7.988 7.340 -0.135 1.00 0.41 N ATOM 399 CA GLU A 27 -6.720 8.035 -0.211 1.00 0.47 C ATOM 400 C GLU A 27 -5.687 7.256 0.588 1.00 0.41 C ATOM 401 O GLU A 27 -5.457 7.529 1.769 1.00 0.48 O ATOM 402 CB GLU A 27 -6.851 9.458 0.329 1.00 0.51 C ATOM 403 CG GLU A 27 -7.134 10.493 -0.744 1.00 0.99 C ATOM 404 CD GLU A 27 -6.190 11.672 -0.670 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.355 12.515 0.235 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.277 11.761 -1.520 1.00 1.82 O ATOM 0 H GLU A 27 -8.628 7.704 0.572 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.405 8.103 -1.252 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.652 9.485 1.068 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -5.931 9.727 0.847 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -7.052 10.026 -1.726 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -8.160 10.846 -0.643 1.00 0.99 H new ATOM 413 N VAL A 28 -5.201 6.183 -0.010 1.00 0.40 N ATOM 414 CA VAL A 28 -4.281 5.284 0.658 1.00 0.38 C ATOM 415 C VAL A 28 -2.887 5.895 0.683 1.00 0.35 C ATOM 416 O VAL A 28 -2.164 5.864 -0.312 1.00 0.42 O ATOM 417 CB VAL A 28 -4.245 3.909 -0.042 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.112 3.052 0.487 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.578 3.196 0.117 1.00 0.68 C ATOM 0 H VAL A 28 -5.432 5.913 -0.966 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.628 5.135 1.681 1.00 0.38 H new ATOM 0 HB VAL A 28 -4.066 4.077 -1.104 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.113 2.090 -0.026 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.162 3.556 0.311 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.245 2.893 1.557 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.535 2.228 -0.383 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.788 3.048 1.176 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -6.369 3.799 -0.329 1.00 0.68 H new ATOM 429 N THR A 29 -2.571 6.562 1.776 1.00 0.31 N ATOM 430 CA THR A 29 -1.315 7.279 1.884 1.00 0.30 C ATOM 431 C THR A 29 -0.331 6.539 2.780 1.00 0.28 C ATOM 432 O THR A 29 -0.694 6.059 3.853 1.00 0.31 O ATOM 433 CB THR A 29 -1.533 8.703 2.430 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.446 8.679 3.540 1.00 0.69 O ATOM 435 CG2 THR A 29 -2.077 9.625 1.347 1.00 0.59 C ATOM 0 H THR A 29 -3.167 6.622 2.602 1.00 0.31 H new ATOM 0 HA THR A 29 -0.897 7.344 0.879 1.00 0.30 H new ATOM 0 HB THR A 29 -0.567 9.084 2.763 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.661 7.750 3.767 1.00 0.69 H new ATOM 0 HG21 THR A 29 -2.222 10.624 1.759 1.00 0.59 H new ATOM 0 HG22 THR A 29 -1.369 9.673 0.520 1.00 0.59 H new ATOM 0 HG23 THR A 29 -3.031 9.239 0.986 1.00 0.59 H new ATOM 443 N TRP A 30 0.922 6.502 2.359 1.00 0.27 N ATOM 444 CA TRP A 30 1.986 5.911 3.149 1.00 0.28 C ATOM 445 C TRP A 30 3.248 6.747 2.993 1.00 0.27 C ATOM 446 O TRP A 30 3.221 7.794 2.346 1.00 0.33 O ATOM 447 CB TRP A 30 2.242 4.454 2.735 1.00 0.29 C ATOM 448 CG TRP A 30 2.644 4.287 1.302 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.906 4.374 0.791 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.783 3.992 0.196 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.880 4.170 -0.565 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.590 3.929 -0.953 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.411 3.779 0.066 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.069 3.664 -2.216 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.105 3.516 -1.186 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.721 3.459 -2.313 1.00 0.46 C ATOM 0 H TRP A 30 1.229 6.880 1.463 1.00 0.27 H new ATOM 0 HA TRP A 30 1.686 5.902 4.197 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.024 4.039 3.371 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.339 3.872 2.918 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.796 4.574 1.370 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.691 4.194 -1.184 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.236 3.819 0.930 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.706 3.622 -3.087 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.166 3.351 -1.298 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.285 3.249 -3.279 1.00 0.46 H new ATOM 467 N GLN A 31 4.325 6.315 3.620 1.00 0.28 N ATOM 468 CA GLN A 31 5.589 7.029 3.572 1.00 0.29 C ATOM 469 C GLN A 31 6.733 6.051 3.791 1.00 0.29 C ATOM 470 O GLN A 31 6.525 4.952 4.307 1.00 0.29 O ATOM 471 CB GLN A 31 5.621 8.120 4.646 1.00 0.32 C ATOM 472 CG GLN A 31 6.079 9.475 4.130 1.00 0.64 C ATOM 473 CD GLN A 31 5.002 10.192 3.342 1.00 0.85 C ATOM 474 OE1 GLN A 31 4.039 10.709 3.910 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.159 10.233 2.030 1.00 0.79 N ATOM 0 H GLN A 31 4.350 5.461 4.177 1.00 0.28 H new ATOM 0 HA GLN A 31 5.697 7.499 2.594 1.00 0.29 H new ATOM 0 HB2 GLN A 31 4.625 8.223 5.076 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.285 7.805 5.451 1.00 0.32 H new ATOM 0 HG2 GLN A 31 6.383 10.097 4.972 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.958 9.341 3.499 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.972 9.792 1.600 1.00 0.79 H new ATOM 0 HE22 GLN A 31 4.468 10.706 1.448 1.00 0.79 H new ATOM 484 N THR A 32 7.934 6.447 3.416 1.00 0.34 N ATOM 485 CA THR A 32 9.096 5.607 3.619 1.00 0.36 C ATOM 486 C THR A 32 9.490 5.600 5.090 1.00 0.41 C ATOM 487 O THR A 32 9.295 6.595 5.795 1.00 0.49 O ATOM 488 CB THR A 32 10.291 6.083 2.775 1.00 0.42 C ATOM 489 OG1 THR A 32 10.339 7.516 2.757 1.00 0.49 O ATOM 490 CG2 THR A 32 10.193 5.559 1.352 1.00 0.49 C ATOM 0 H THR A 32 8.129 7.343 2.970 1.00 0.34 H new ATOM 0 HA THR A 32 8.830 4.598 3.303 1.00 0.36 H new ATOM 0 HB THR A 32 11.203 5.693 3.227 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.185 7.810 2.358 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.049 5.909 0.776 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.186 4.469 1.365 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.274 5.922 0.893 1.00 0.49 H new ATOM 498 N PRO A 33 10.053 4.487 5.576 1.00 0.39 N ATOM 499 CA PRO A 33 10.512 4.380 6.960 1.00 0.46 C ATOM 500 C PRO A 33 11.701 5.297 7.221 1.00 0.56 C ATOM 501 O PRO A 33 12.337 5.780 6.283 1.00 0.60 O ATOM 502 CB PRO A 33 10.931 2.915 7.085 1.00 0.46 C ATOM 503 CG PRO A 33 11.274 2.508 5.697 1.00 0.42 C ATOM 504 CD PRO A 33 10.326 3.260 4.808 1.00 0.35 C ATOM 0 HA PRO A 33 9.746 4.673 7.678 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.784 2.801 7.754 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.124 2.304 7.490 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.310 2.753 5.462 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.164 1.432 5.566 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.772 3.482 3.838 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.415 2.692 4.617 1.00 0.35 H new ATOM 512 N SER A 34 12.025 5.503 8.487 1.00 0.66 N ATOM 513 CA SER A 34 13.143 6.358 8.858 1.00 0.80 C ATOM 514 C SER A 34 14.477 5.750 8.422 1.00 0.86 C ATOM 515 O SER A 34 15.505 6.427 8.403 1.00 0.96 O ATOM 516 CB SER A 34 13.134 6.588 10.368 1.00 0.92 C ATOM 517 OG SER A 34 11.807 6.532 10.874 1.00 1.02 O ATOM 0 H SER A 34 11.529 5.090 9.277 1.00 0.66 H new ATOM 0 HA SER A 34 13.031 7.313 8.345 1.00 0.80 H new ATOM 0 HB2 SER A 34 13.749 5.834 10.860 1.00 0.92 H new ATOM 0 HB3 SER A 34 13.576 7.558 10.596 1.00 0.92 H new ATOM 0 HG SER A 34 11.609 5.620 11.172 1.00 1.02 H new ATOM 523 N THR A 35 14.453 4.469 8.079 1.00 0.82 N ATOM 524 CA THR A 35 15.654 3.762 7.667 1.00 0.91 C ATOM 525 C THR A 35 15.906 3.896 6.164 1.00 0.92 C ATOM 526 O THR A 35 16.918 3.411 5.653 1.00 1.11 O ATOM 527 CB THR A 35 15.548 2.277 8.033 1.00 0.89 C ATOM 528 OG1 THR A 35 14.179 1.949 8.310 1.00 0.85 O ATOM 529 CG2 THR A 35 16.407 1.950 9.243 1.00 1.08 C ATOM 0 H THR A 35 13.608 3.897 8.079 1.00 0.82 H new ATOM 0 HA THR A 35 16.493 4.215 8.195 1.00 0.91 H new ATOM 0 HB THR A 35 15.907 1.687 7.190 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.091 0.979 8.421 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.313 0.890 9.480 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.449 2.181 9.023 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.076 2.544 10.095 1.00 1.08 H new ATOM 537 N TRP A 36 14.994 4.555 5.460 1.00 0.80 N ATOM 538 CA TRP A 36 15.138 4.759 4.027 1.00 0.83 C ATOM 539 C TRP A 36 15.142 6.244 3.702 1.00 1.00 C ATOM 540 O TRP A 36 14.412 7.019 4.316 1.00 1.09 O ATOM 541 CB TRP A 36 14.001 4.056 3.278 1.00 0.74 C ATOM 542 CG TRP A 36 14.297 3.833 1.825 1.00 0.78 C ATOM 543 CD1 TRP A 36 13.874 4.598 0.775 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.090 2.781 1.263 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.357 4.086 -0.405 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.103 2.969 -0.133 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.788 1.696 1.803 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.791 2.114 -0.993 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.468 0.850 0.949 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.464 1.061 -0.434 1.00 1.21 C ATOM 0 H TRP A 36 14.146 4.957 5.860 1.00 0.80 H new ATOM 0 HA TRP A 36 16.088 4.331 3.707 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.802 3.095 3.753 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.092 4.651 3.369 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.251 5.476 0.860 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.188 4.474 -1.333 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.795 1.523 2.869 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 15.793 2.276 -2.061 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.012 0.011 1.356 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.003 0.379 -1.074 1.00 1.21 H new ATOM 561 N PRO A 37 16.002 6.665 2.763 1.00 1.20 N ATOM 562 CA PRO A 37 16.106 8.069 2.357 1.00 1.44 C ATOM 563 C PRO A 37 14.911 8.520 1.514 1.00 1.34 C ATOM 564 O PRO A 37 13.804 7.998 1.653 1.00 1.49 O ATOM 565 CB PRO A 37 17.401 8.100 1.538 1.00 1.76 C ATOM 566 CG PRO A 37 17.545 6.720 1.004 1.00 1.78 C ATOM 567 CD PRO A 37 16.977 5.811 2.056 1.00 1.34 C ATOM 0 HA PRO A 37 16.113 8.748 3.210 1.00 1.44 H new ATOM 0 HB2 PRO A 37 17.342 8.832 0.732 1.00 1.76 H new ATOM 0 HB3 PRO A 37 18.254 8.376 2.157 1.00 1.76 H new ATOM 0 HG2 PRO A 37 17.010 6.608 0.061 1.00 1.78 H new ATOM 0 HG3 PRO A 37 18.591 6.484 0.807 1.00 1.78 H new ATOM 0 HD2 PRO A 37 16.498 4.937 1.615 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.751 5.444 2.730 1.00 1.34 H new ATOM 575 N ASP A 38 15.137 9.491 0.641 1.00 1.33 N ATOM 576 CA ASP A 38 14.070 10.021 -0.197 1.00 1.35 C ATOM 577 C ASP A 38 13.826 9.122 -1.402 1.00 1.29 C ATOM 578 O ASP A 38 14.748 8.831 -2.172 1.00 1.42 O ATOM 579 CB ASP A 38 14.401 11.440 -0.664 1.00 1.65 C ATOM 580 CG ASP A 38 13.202 12.150 -1.265 1.00 1.90 C ATOM 581 OD1 ASP A 38 12.182 12.301 -0.566 1.00 2.28 O ATOM 582 OD2 ASP A 38 13.265 12.550 -2.448 1.00 2.16 O ATOM 0 H ASP A 38 16.047 9.927 0.494 1.00 1.33 H new ATOM 0 HA ASP A 38 13.161 10.052 0.404 1.00 1.35 H new ATOM 0 HB2 ASP A 38 14.776 12.018 0.180 1.00 1.65 H new ATOM 0 HB3 ASP A 38 15.202 11.398 -1.402 1.00 1.65 H new ATOM 587 N PRO A 39 12.584 8.639 -1.561 1.00 1.31 N ATOM 588 CA PRO A 39 12.210 7.732 -2.652 1.00 1.44 C ATOM 589 C PRO A 39 12.087 8.440 -4.001 1.00 1.61 C ATOM 590 O PRO A 39 11.173 8.168 -4.779 1.00 1.84 O ATOM 591 CB PRO A 39 10.851 7.188 -2.206 1.00 1.62 C ATOM 592 CG PRO A 39 10.284 8.258 -1.340 1.00 1.69 C ATOM 593 CD PRO A 39 11.454 8.897 -0.647 1.00 1.44 C ATOM 0 HA PRO A 39 12.966 6.963 -2.813 1.00 1.44 H new ATOM 0 HB2 PRO A 39 10.205 6.986 -3.060 1.00 1.62 H new ATOM 0 HB3 PRO A 39 10.959 6.251 -1.659 1.00 1.62 H new ATOM 0 HG2 PRO A 39 9.735 8.990 -1.933 1.00 1.69 H new ATOM 0 HG3 PRO A 39 9.582 7.843 -0.617 1.00 1.69 H new ATOM 0 HD2 PRO A 39 11.296 9.965 -0.497 1.00 1.44 H new ATOM 0 HD3 PRO A 39 11.626 8.459 0.336 1.00 1.44 H new ATOM 601 N GLU A 40 13.050 9.297 -4.300 1.00 1.57 N ATOM 602 CA GLU A 40 13.113 9.950 -5.598 1.00 1.76 C ATOM 603 C GLU A 40 14.373 9.506 -6.325 1.00 1.76 C ATOM 604 O GLU A 40 14.310 9.023 -7.456 1.00 1.90 O ATOM 605 CB GLU A 40 13.087 11.471 -5.450 1.00 1.90 C ATOM 606 CG GLU A 40 11.681 12.045 -5.396 1.00 2.12 C ATOM 607 CD GLU A 40 11.254 12.674 -6.705 1.00 2.36 C ATOM 608 OE1 GLU A 40 10.905 11.929 -7.649 1.00 2.91 O ATOM 609 OE2 GLU A 40 11.266 13.918 -6.799 1.00 2.63 O ATOM 0 H GLU A 40 13.800 9.557 -3.660 1.00 1.57 H new ATOM 0 HA GLU A 40 12.238 9.660 -6.180 1.00 1.76 H new ATOM 0 HB2 GLU A 40 13.621 11.750 -4.542 1.00 1.90 H new ATOM 0 HB3 GLU A 40 13.624 11.920 -6.286 1.00 1.90 H new ATOM 0 HG2 GLU A 40 10.980 11.253 -5.133 1.00 2.12 H new ATOM 0 HG3 GLU A 40 11.629 12.793 -4.605 1.00 2.12 H new ATOM 616 N SER A 41 15.494 9.547 -5.617 1.00 1.67 N ATOM 617 CA SER A 41 16.745 9.032 -6.145 1.00 1.75 C ATOM 618 C SER A 41 16.705 7.510 -6.170 1.00 1.63 C ATOM 619 O SER A 41 17.074 6.880 -7.162 1.00 1.67 O ATOM 620 CB SER A 41 17.907 9.522 -5.284 1.00 1.82 C ATOM 621 OG SER A 41 17.441 10.386 -4.258 1.00 1.89 O ATOM 0 H SER A 41 15.560 9.932 -4.675 1.00 1.67 H new ATOM 0 HA SER A 41 16.887 9.394 -7.163 1.00 1.75 H new ATOM 0 HB2 SER A 41 18.424 8.670 -4.842 1.00 1.82 H new ATOM 0 HB3 SER A 41 18.632 10.046 -5.907 1.00 1.82 H new ATOM 0 HG SER A 41 18.199 10.688 -3.716 1.00 1.89 H new ATOM 627 N PHE A 42 16.141 6.934 -5.118 1.00 1.51 N ATOM 628 CA PHE A 42 15.931 5.499 -5.056 1.00 1.41 C ATOM 629 C PHE A 42 14.561 5.160 -5.626 1.00 1.27 C ATOM 630 O PHE A 42 13.564 5.787 -5.259 1.00 1.40 O ATOM 631 CB PHE A 42 16.043 5.003 -3.615 1.00 1.58 C ATOM 632 CG PHE A 42 17.405 4.473 -3.268 1.00 2.08 C ATOM 633 CD1 PHE A 42 17.938 3.391 -3.950 1.00 2.54 C ATOM 634 CD2 PHE A 42 18.152 5.057 -2.259 1.00 2.38 C ATOM 635 CE1 PHE A 42 19.190 2.901 -3.632 1.00 3.12 C ATOM 636 CE2 PHE A 42 19.405 4.572 -1.935 1.00 3.01 C ATOM 637 CZ PHE A 42 19.926 3.492 -2.623 1.00 3.32 C ATOM 0 H PHE A 42 15.820 7.443 -4.294 1.00 1.51 H new ATOM 0 HA PHE A 42 16.699 5.002 -5.648 1.00 1.41 H new ATOM 0 HB2 PHE A 42 15.797 5.821 -2.938 1.00 1.58 H new ATOM 0 HB3 PHE A 42 15.304 4.219 -3.451 1.00 1.58 H new ATOM 0 HD1 PHE A 42 17.368 2.925 -4.740 1.00 2.54 H new ATOM 0 HD2 PHE A 42 17.751 5.902 -1.719 1.00 2.38 H new ATOM 0 HE1 PHE A 42 19.593 2.057 -4.172 1.00 3.12 H new ATOM 0 HE2 PHE A 42 19.977 5.036 -1.145 1.00 3.01 H new ATOM 0 HZ PHE A 42 20.905 3.111 -2.373 1.00 3.32 H new ATOM 647 N PRO A 43 14.512 4.251 -6.612 1.00 1.24 N ATOM 648 CA PRO A 43 13.270 3.896 -7.306 1.00 1.33 C ATOM 649 C PRO A 43 12.180 3.421 -6.350 1.00 1.26 C ATOM 650 O PRO A 43 11.110 4.025 -6.285 1.00 1.97 O ATOM 651 CB PRO A 43 13.694 2.769 -8.251 1.00 1.58 C ATOM 652 CG PRO A 43 15.146 2.995 -8.480 1.00 1.75 C ATOM 653 CD PRO A 43 15.682 3.571 -7.197 1.00 1.40 C ATOM 0 HA PRO A 43 12.834 4.753 -7.819 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.511 1.790 -7.808 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.135 2.805 -9.186 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.652 2.062 -8.731 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.308 3.679 -9.313 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.066 2.793 -6.537 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.501 4.267 -7.380 1.00 1.40 H new ATOM 661 N LEU A 44 12.488 2.373 -5.587 1.00 0.98 N ATOM 662 CA LEU A 44 11.572 1.811 -4.591 1.00 0.82 C ATOM 663 C LEU A 44 10.202 1.481 -5.191 1.00 0.78 C ATOM 664 O LEU A 44 9.318 2.335 -5.272 1.00 0.98 O ATOM 665 CB LEU A 44 11.409 2.763 -3.399 1.00 0.83 C ATOM 666 CG LEU A 44 11.527 2.098 -2.023 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.232 3.097 -0.916 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.588 0.908 -1.921 1.00 1.29 C ATOM 0 H LEU A 44 13.383 1.887 -5.641 1.00 0.98 H new ATOM 0 HA LEU A 44 12.016 0.878 -4.243 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.162 3.548 -3.473 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.435 3.248 -3.470 1.00 0.83 H new ATOM 0 HG LEU A 44 12.551 1.744 -1.905 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.321 2.604 0.052 1.00 1.54 H new ATOM 0 HD12 LEU A 44 11.943 3.921 -0.971 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.220 3.483 -1.035 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.687 0.450 -0.937 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.560 1.242 -2.064 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.842 0.177 -2.689 1.00 1.29 H new ATOM 680 N LYS A 45 9.993 0.210 -5.489 1.00 0.70 N ATOM 681 CA LYS A 45 8.703 -0.253 -5.962 1.00 0.68 C ATOM 682 C LYS A 45 7.851 -0.711 -4.782 1.00 0.60 C ATOM 683 O LYS A 45 8.094 -1.773 -4.203 1.00 0.76 O ATOM 684 CB LYS A 45 8.882 -1.398 -6.963 1.00 0.78 C ATOM 685 CG LYS A 45 8.323 -1.091 -8.343 1.00 1.13 C ATOM 686 CD LYS A 45 7.813 -2.348 -9.023 1.00 1.25 C ATOM 687 CE LYS A 45 8.098 -2.331 -10.516 1.00 1.41 C ATOM 688 NZ LYS A 45 6.863 -2.525 -11.317 1.00 1.75 N ATOM 0 H LYS A 45 10.702 -0.519 -5.411 1.00 0.70 H new ATOM 0 HA LYS A 45 8.197 0.570 -6.466 1.00 0.68 H new ATOM 0 HB2 LYS A 45 9.944 -1.629 -7.053 1.00 0.78 H new ATOM 0 HB3 LYS A 45 8.394 -2.291 -6.572 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.513 -0.367 -8.257 1.00 1.13 H new ATOM 0 HG3 LYS A 45 9.097 -0.631 -8.957 1.00 1.13 H new ATOM 0 HD2 LYS A 45 8.283 -3.222 -8.572 1.00 1.25 H new ATOM 0 HD3 LYS A 45 6.740 -2.442 -8.858 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.561 -1.382 -10.787 1.00 1.41 H new ATOM 0 HE3 LYS A 45 8.815 -3.116 -10.758 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 7.085 -2.423 -12.328 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 6.481 -3.476 -11.141 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 6.157 -1.812 -11.044 1.00 1.75 H new ATOM 702 N PHE A 46 6.883 0.108 -4.407 1.00 0.46 N ATOM 703 CA PHE A 46 5.992 -0.217 -3.304 1.00 0.41 C ATOM 704 C PHE A 46 4.953 -1.232 -3.762 1.00 0.44 C ATOM 705 O PHE A 46 4.483 -1.175 -4.898 1.00 0.58 O ATOM 706 CB PHE A 46 5.297 1.047 -2.792 1.00 0.42 C ATOM 707 CG PHE A 46 6.076 1.785 -1.740 1.00 0.37 C ATOM 708 CD1 PHE A 46 5.997 1.408 -0.408 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.892 2.851 -2.084 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.716 2.081 0.560 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.613 3.529 -1.119 1.00 0.48 C ATOM 712 CZ PHE A 46 7.510 3.155 0.207 1.00 0.47 C ATOM 0 H PHE A 46 6.693 1.006 -4.851 1.00 0.46 H new ATOM 0 HA PHE A 46 6.579 -0.646 -2.492 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.116 1.716 -3.633 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.323 0.775 -2.385 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.366 0.579 -0.124 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.965 3.155 -3.118 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.658 1.768 1.592 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.256 4.350 -1.401 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.049 3.701 0.966 1.00 0.47 H new ATOM 722 N PHE A 47 4.626 -2.178 -2.899 1.00 0.40 N ATOM 723 CA PHE A 47 3.659 -3.211 -3.239 1.00 0.44 C ATOM 724 C PHE A 47 2.437 -3.112 -2.347 1.00 0.39 C ATOM 725 O PHE A 47 2.494 -3.425 -1.159 1.00 0.59 O ATOM 726 CB PHE A 47 4.291 -4.596 -3.117 1.00 0.55 C ATOM 727 CG PHE A 47 5.479 -4.775 -4.011 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.343 -4.686 -5.383 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.727 -5.050 -3.478 1.00 0.65 C ATOM 730 CE1 PHE A 47 6.431 -4.865 -6.210 1.00 0.68 C ATOM 731 CE2 PHE A 47 7.820 -5.233 -4.301 1.00 0.75 C ATOM 732 CZ PHE A 47 7.686 -5.075 -5.662 1.00 0.73 C ATOM 0 H PHE A 47 5.014 -2.254 -1.959 1.00 0.40 H new ATOM 0 HA PHE A 47 3.347 -3.060 -4.272 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.592 -4.762 -2.083 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.544 -5.353 -3.357 1.00 0.55 H new ATOM 0 HD1 PHE A 47 4.375 -4.474 -5.812 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.847 -5.122 -2.407 1.00 0.65 H new ATOM 0 HE1 PHE A 47 6.306 -4.842 -7.282 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.778 -5.499 -3.878 1.00 0.75 H new ATOM 0 HZ PHE A 47 8.556 -5.115 -6.300 1.00 0.73 H new ATOM 742 N LEU A 48 1.354 -2.618 -2.916 1.00 0.33 N ATOM 743 CA LEU A 48 0.126 -2.418 -2.169 1.00 0.35 C ATOM 744 C LEU A 48 -0.967 -3.353 -2.676 1.00 0.35 C ATOM 745 O LEU A 48 -1.459 -3.197 -3.790 1.00 0.57 O ATOM 746 CB LEU A 48 -0.324 -0.962 -2.289 1.00 0.44 C ATOM 747 CG LEU A 48 -1.496 -0.567 -1.395 1.00 0.72 C ATOM 748 CD1 LEU A 48 -0.994 0.001 -0.077 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.389 0.434 -2.106 1.00 1.05 C ATOM 0 H LEU A 48 1.299 -2.347 -3.898 1.00 0.33 H new ATOM 0 HA LEU A 48 0.313 -2.646 -1.120 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.523 -0.317 -2.056 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.598 -0.768 -3.326 1.00 0.44 H new ATOM 0 HG LEU A 48 -2.084 -1.459 -1.179 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.844 0.277 0.547 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.394 -0.750 0.438 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.384 0.883 -0.270 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.220 0.706 -1.456 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -1.813 1.326 -2.351 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.776 -0.011 -3.023 1.00 1.05 H new ATOM 761 N ARG A 49 -1.354 -4.310 -1.847 1.00 0.26 N ATOM 762 CA ARG A 49 -2.432 -5.228 -2.196 1.00 0.27 C ATOM 763 C ARG A 49 -3.609 -5.018 -1.259 1.00 0.24 C ATOM 764 O ARG A 49 -3.423 -4.926 -0.049 1.00 0.30 O ATOM 765 CB ARG A 49 -1.964 -6.687 -2.128 1.00 0.34 C ATOM 766 CG ARG A 49 -0.997 -6.971 -0.993 1.00 0.44 C ATOM 767 CD ARG A 49 0.259 -7.665 -1.487 1.00 0.75 C ATOM 768 NE ARG A 49 0.052 -9.095 -1.722 1.00 1.07 N ATOM 769 CZ ARG A 49 0.042 -10.023 -0.758 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.087 -9.666 0.520 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.030 -11.308 -1.075 1.00 2.02 N ATOM 0 H ARG A 49 -0.940 -4.473 -0.929 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.739 -5.019 -3.221 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.835 -7.333 -2.020 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.487 -6.950 -3.072 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.727 -6.036 -0.502 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.487 -7.594 -0.245 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.592 -7.192 -2.411 1.00 0.75 H new ATOM 0 HD3 ARG A 49 1.056 -7.532 -0.755 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.094 -9.404 -2.683 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.130 -8.679 0.773 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.079 -10.379 1.249 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.078 -11.590 -2.054 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.038 -12.015 -0.340 1.00 2.02 H new ATOM 785 N TYR A 50 -4.806 -4.919 -1.814 1.00 0.26 N ATOM 786 CA TYR A 50 -5.996 -4.669 -1.010 1.00 0.27 C ATOM 787 C TYR A 50 -7.005 -5.805 -1.150 1.00 0.28 C ATOM 788 O TYR A 50 -7.742 -5.886 -2.128 1.00 0.36 O ATOM 789 CB TYR A 50 -6.638 -3.323 -1.384 1.00 0.35 C ATOM 790 CG TYR A 50 -6.662 -3.027 -2.872 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.530 -2.554 -3.533 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.819 -3.219 -3.618 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.553 -2.286 -4.888 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.848 -2.953 -4.972 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.714 -2.488 -5.601 1.00 0.90 C ATOM 796 OH TYR A 50 -6.744 -2.219 -6.951 1.00 1.13 O ATOM 0 H TYR A 50 -4.981 -5.007 -2.815 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.687 -4.621 0.034 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.661 -3.306 -1.007 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.098 -2.524 -0.877 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.619 -2.394 -2.976 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.711 -3.583 -3.130 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.667 -1.921 -5.385 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.756 -3.109 -5.536 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.657 -2.337 -7.288 1.00 1.13 H new ATOM 806 N ARG A 51 -7.002 -6.703 -0.184 1.00 0.29 N ATOM 807 CA ARG A 51 -7.895 -7.851 -0.199 1.00 0.34 C ATOM 808 C ARG A 51 -9.197 -7.542 0.524 1.00 0.29 C ATOM 809 O ARG A 51 -9.187 -7.161 1.695 1.00 0.33 O ATOM 810 CB ARG A 51 -7.214 -9.052 0.456 1.00 0.46 C ATOM 811 CG ARG A 51 -7.979 -10.351 0.306 1.00 0.64 C ATOM 812 CD ARG A 51 -7.778 -11.253 1.509 1.00 1.25 C ATOM 813 NE ARG A 51 -9.018 -11.471 2.252 1.00 1.72 N ATOM 814 CZ ARG A 51 -9.060 -11.775 3.550 1.00 2.29 C ATOM 815 NH1 ARG A 51 -7.939 -11.842 4.256 1.00 2.62 N ATOM 816 NH2 ARG A 51 -10.221 -12.001 4.150 1.00 3.10 N ATOM 0 H ARG A 51 -6.387 -6.661 0.628 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.126 -8.086 -1.238 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.221 -9.175 0.023 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.075 -8.844 1.517 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.041 -10.138 0.182 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.650 -10.867 -0.596 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.382 -12.213 1.178 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -7.033 -10.811 2.171 1.00 1.25 H new ATOM 0 HE ARG A 51 -9.901 -11.386 1.749 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.042 -11.661 3.806 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -7.974 -12.075 5.248 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -11.090 -11.943 3.618 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -10.245 -12.233 5.143 1.00 3.10 H new ATOM 830 N PRO A 52 -10.339 -7.801 -0.123 1.00 0.32 N ATOM 831 CA PRO A 52 -11.634 -7.699 0.534 1.00 0.38 C ATOM 832 C PRO A 52 -11.788 -8.796 1.584 1.00 0.44 C ATOM 833 O PRO A 52 -11.400 -9.941 1.355 1.00 0.51 O ATOM 834 CB PRO A 52 -12.635 -7.887 -0.607 1.00 0.52 C ATOM 835 CG PRO A 52 -11.904 -8.674 -1.642 1.00 0.65 C ATOM 836 CD PRO A 52 -10.445 -8.328 -1.498 1.00 0.45 C ATOM 0 HA PRO A 52 -11.773 -6.755 1.061 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.526 -8.415 -0.267 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.966 -6.927 -1.003 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.064 -9.743 -1.500 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.263 -8.428 -2.641 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.811 -9.203 -1.640 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.136 -7.587 -2.235 1.00 0.45 H new ATOM 844 N LEU A 53 -12.240 -8.429 2.770 1.00 0.50 N ATOM 845 CA LEU A 53 -12.314 -9.375 3.880 1.00 0.65 C ATOM 846 C LEU A 53 -13.213 -10.565 3.550 1.00 0.81 C ATOM 847 O LEU A 53 -13.044 -11.650 4.101 1.00 1.22 O ATOM 848 CB LEU A 53 -12.813 -8.676 5.143 1.00 0.70 C ATOM 849 CG LEU A 53 -11.808 -8.620 6.291 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.603 -7.777 5.902 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.469 -8.070 7.542 1.00 1.40 C ATOM 0 H LEU A 53 -12.561 -7.487 2.993 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.307 -9.755 4.054 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.104 -7.658 4.885 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.711 -9.186 5.491 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.461 -9.632 6.502 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.897 -7.748 6.732 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.119 -8.215 5.029 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.929 -6.764 5.667 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.741 -8.035 8.353 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.841 -7.064 7.345 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.300 -8.715 7.828 1.00 1.40 H new ATOM 863 N ILE A 54 -14.152 -10.362 2.641 1.00 0.85 N ATOM 864 CA ILE A 54 -15.085 -11.414 2.263 1.00 1.01 C ATOM 865 C ILE A 54 -14.560 -12.264 1.105 1.00 1.08 C ATOM 866 O ILE A 54 -15.223 -13.210 0.681 1.00 1.34 O ATOM 867 CB ILE A 54 -16.455 -10.829 1.865 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.304 -9.864 0.689 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.103 -10.132 3.051 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.250 -10.159 -0.454 1.00 1.46 C ATOM 0 H ILE A 54 -14.290 -9.479 2.150 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.196 -12.049 3.142 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.103 -11.649 1.555 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.475 -8.846 1.039 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.278 -9.907 0.323 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.069 -9.726 2.751 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.246 -10.848 3.860 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.459 -9.322 3.393 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.090 -9.437 -1.255 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.064 -11.165 -0.830 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.279 -10.088 -0.102 1.00 1.46 H new ATOM 882 N LEU A 55 -13.394 -11.911 0.564 1.00 0.95 N ATOM 883 CA LEU A 55 -12.841 -12.644 -0.572 1.00 1.10 C ATOM 884 C LEU A 55 -11.326 -12.756 -0.476 1.00 1.12 C ATOM 885 O LEU A 55 -10.624 -11.752 -0.432 1.00 1.51 O ATOM 886 CB LEU A 55 -13.214 -11.954 -1.886 1.00 1.25 C ATOM 887 CG LEU A 55 -14.466 -12.494 -2.572 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.197 -11.371 -3.288 1.00 1.69 C ATOM 889 CD2 LEU A 55 -14.106 -13.605 -3.544 1.00 2.11 C ATOM 0 H LEU A 55 -12.821 -11.132 0.889 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.267 -13.647 -0.552 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.356 -10.891 -1.692 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.374 -12.043 -2.575 1.00 1.25 H new ATOM 0 HG LEU A 55 -15.128 -12.910 -1.812 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.088 -11.768 -3.774 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.487 -10.607 -2.566 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -14.541 -10.930 -4.039 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -15.012 -13.977 -4.023 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.427 -13.218 -4.303 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.621 -14.418 -3.004 1.00 2.11 H new ATOM 901 N ASP A 56 -10.825 -13.975 -0.556 1.00 1.38 N ATOM 902 CA ASP A 56 -9.385 -14.209 -0.578 1.00 1.54 C ATOM 903 C ASP A 56 -8.838 -13.950 -1.979 1.00 1.19 C ATOM 904 O ASP A 56 -8.499 -14.878 -2.715 1.00 1.44 O ATOM 905 CB ASP A 56 -9.056 -15.638 -0.128 1.00 2.08 C ATOM 906 CG ASP A 56 -7.562 -15.886 -0.001 1.00 2.58 C ATOM 907 OD1 ASP A 56 -6.853 -15.010 0.540 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.084 -16.953 -0.439 1.00 2.89 O ATOM 0 H ASP A 56 -11.391 -14.822 -0.607 1.00 1.38 H new ATOM 0 HA ASP A 56 -8.911 -13.520 0.120 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.535 -15.831 0.832 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.478 -16.345 -0.842 1.00 2.08 H new ATOM 913 N GLN A 57 -8.841 -12.681 -2.365 1.00 0.83 N ATOM 914 CA GLN A 57 -8.390 -12.269 -3.685 1.00 0.93 C ATOM 915 C GLN A 57 -7.409 -11.108 -3.567 1.00 0.79 C ATOM 916 O GLN A 57 -7.809 -9.966 -3.332 1.00 0.82 O ATOM 917 CB GLN A 57 -9.581 -11.847 -4.549 1.00 1.30 C ATOM 918 CG GLN A 57 -10.566 -12.968 -4.831 1.00 1.81 C ATOM 919 CD GLN A 57 -11.342 -12.746 -6.112 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.321 -11.997 -6.141 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.923 -13.402 -7.179 1.00 2.43 N ATOM 0 H GLN A 57 -9.155 -11.912 -1.773 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.891 -13.115 -4.157 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.107 -11.032 -4.052 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.209 -11.456 -5.496 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -10.028 -13.914 -4.895 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -11.263 -13.054 -3.997 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.109 -14.013 -7.115 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.414 -13.298 -8.067 1.00 2.43 H new ATOM 930 N TRP A 58 -6.125 -11.404 -3.684 1.00 0.73 N ATOM 931 CA TRP A 58 -5.097 -10.390 -3.556 1.00 0.63 C ATOM 932 C TRP A 58 -4.960 -9.592 -4.840 1.00 0.67 C ATOM 933 O TRP A 58 -4.911 -10.154 -5.934 1.00 0.76 O ATOM 934 CB TRP A 58 -3.759 -11.034 -3.193 1.00 0.71 C ATOM 935 CG TRP A 58 -3.522 -11.100 -1.721 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.106 -12.176 -0.993 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.686 -10.029 -0.798 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.004 -11.831 0.334 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.352 -10.513 0.477 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.085 -8.705 -0.933 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.402 -9.704 1.612 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.133 -7.910 0.184 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.795 -8.405 1.437 1.00 0.49 C ATOM 0 H TRP A 58 -5.771 -12.343 -3.868 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.391 -9.708 -2.758 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.724 -12.042 -3.606 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.952 -10.469 -3.660 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -2.889 -13.153 -1.399 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.716 -12.454 1.089 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.353 -8.308 -1.901 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.142 -10.087 2.588 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.440 -6.879 0.087 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.844 -7.749 2.294 1.00 0.49 H new ATOM 954 N GLN A 59 -4.875 -8.282 -4.697 1.00 0.70 N ATOM 955 CA GLN A 59 -4.700 -7.406 -5.844 1.00 0.79 C ATOM 956 C GLN A 59 -3.569 -6.429 -5.577 1.00 0.95 C ATOM 957 O GLN A 59 -3.747 -5.434 -4.878 1.00 1.64 O ATOM 958 CB GLN A 59 -5.993 -6.655 -6.171 1.00 1.06 C ATOM 959 CG GLN A 59 -6.910 -6.456 -4.980 1.00 1.36 C ATOM 960 CD GLN A 59 -8.352 -6.782 -5.303 1.00 1.68 C ATOM 961 OE1 GLN A 59 -9.130 -5.908 -5.691 1.00 2.39 O ATOM 962 NE2 GLN A 59 -8.720 -8.039 -5.148 1.00 2.14 N ATOM 0 H GLN A 59 -4.924 -7.800 -3.799 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.446 -8.018 -6.709 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.739 -5.680 -6.588 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -6.533 -7.202 -6.944 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.573 -7.086 -4.156 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.841 -5.423 -4.640 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -8.045 -8.732 -4.825 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -9.680 -8.318 -5.352 1.00 2.14 H new ATOM 971 N HIS A 60 -2.376 -6.812 -6.001 1.00 0.80 N ATOM 972 CA HIS A 60 -1.176 -6.046 -5.704 1.00 1.11 C ATOM 973 C HIS A 60 -0.909 -4.987 -6.773 1.00 0.88 C ATOM 974 O HIS A 60 -0.900 -5.277 -7.973 1.00 1.12 O ATOM 975 CB HIS A 60 0.042 -6.983 -5.540 1.00 1.75 C ATOM 976 CG HIS A 60 0.705 -7.411 -6.824 1.00 1.87 C ATOM 977 ND1 HIS A 60 0.215 -8.413 -7.634 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.826 -6.955 -7.432 1.00 2.11 C ATOM 979 CE1 HIS A 60 1.003 -8.552 -8.684 1.00 2.81 C ATOM 980 NE2 HIS A 60 1.988 -7.679 -8.586 1.00 2.58 N ATOM 0 H HIS A 60 -2.212 -7.653 -6.555 1.00 0.80 H new ATOM 0 HA HIS A 60 -1.339 -5.525 -4.760 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.783 -6.482 -4.917 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.277 -7.875 -5.001 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.473 -6.167 -7.075 1.00 2.11 H new ATOM 0 HE1 HIS A 60 0.865 -9.260 -9.487 1.00 2.81 H new ATOM 0 HE2 HIS A 60 2.746 -7.562 -9.258 1.00 2.58 H new ATOM 989 N VAL A 61 -0.659 -3.771 -6.325 1.00 0.60 N ATOM 990 CA VAL A 61 -0.291 -2.685 -7.213 1.00 0.59 C ATOM 991 C VAL A 61 1.175 -2.345 -7.003 1.00 0.51 C ATOM 992 O VAL A 61 1.618 -2.168 -5.866 1.00 0.55 O ATOM 993 CB VAL A 61 -1.142 -1.421 -6.971 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.981 -0.438 -8.120 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.604 -1.783 -6.784 1.00 1.48 C ATOM 0 H VAL A 61 -0.705 -3.509 -5.340 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.471 -3.017 -8.236 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.788 -0.945 -6.057 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.589 0.446 -7.930 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.066 -0.147 -8.206 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.304 -0.908 -9.049 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -3.185 -0.876 -6.615 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.971 -2.288 -7.678 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.708 -2.446 -5.925 1.00 1.48 H new ATOM 1005 N GLU A 62 1.928 -2.312 -8.086 1.00 0.81 N ATOM 1006 CA GLU A 62 3.348 -2.009 -8.020 1.00 1.05 C ATOM 1007 C GLU A 62 3.566 -0.520 -8.248 1.00 0.71 C ATOM 1008 O GLU A 62 3.252 0.006 -9.318 1.00 0.80 O ATOM 1009 CB GLU A 62 4.114 -2.831 -9.054 1.00 1.61 C ATOM 1010 CG GLU A 62 3.886 -4.329 -8.919 1.00 2.42 C ATOM 1011 CD GLU A 62 4.477 -5.119 -10.066 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.537 -4.714 -10.591 1.00 3.63 O ATOM 1013 OE2 GLU A 62 3.887 -6.154 -10.442 1.00 3.60 O ATOM 0 H GLU A 62 1.579 -2.492 -9.027 1.00 0.81 H new ATOM 0 HA GLU A 62 3.724 -2.271 -7.031 1.00 1.05 H new ATOM 0 HB2 GLU A 62 3.816 -2.514 -10.053 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.179 -2.622 -8.957 1.00 1.61 H new ATOM 0 HG2 GLU A 62 4.323 -4.675 -7.982 1.00 2.42 H new ATOM 0 HG3 GLU A 62 2.815 -4.525 -8.863 1.00 2.42 H new ATOM 1020 N LEU A 63 3.946 0.175 -7.192 1.00 0.61 N ATOM 1021 CA LEU A 63 4.055 1.624 -7.231 1.00 0.71 C ATOM 1022 C LEU A 63 5.493 2.077 -7.050 1.00 0.75 C ATOM 1023 O LEU A 63 5.970 2.225 -5.925 1.00 0.94 O ATOM 1024 CB LEU A 63 3.182 2.248 -6.144 1.00 0.97 C ATOM 1025 CG LEU A 63 1.847 1.546 -5.913 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.783 0.959 -4.514 1.00 1.33 C ATOM 1027 CD2 LEU A 63 0.701 2.515 -6.145 1.00 1.18 C ATOM 0 H LEU A 63 4.186 -0.242 -6.292 1.00 0.61 H new ATOM 0 HA LEU A 63 3.712 1.955 -8.211 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.740 2.253 -5.208 1.00 0.97 H new ATOM 0 HB3 LEU A 63 2.989 3.288 -6.406 1.00 0.97 H new ATOM 0 HG LEU A 63 1.757 0.725 -6.625 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.823 0.463 -4.371 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.588 0.235 -4.386 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.892 1.757 -3.779 1.00 1.33 H new ATOM 0 HD21 LEU A 63 -0.247 2.004 -5.978 1.00 1.18 H new ATOM 0 HD22 LEU A 63 0.788 3.354 -5.454 1.00 1.18 H new ATOM 0 HD23 LEU A 63 0.738 2.884 -7.170 1.00 1.18 H new ATOM 1039 N SER A 64 6.150 2.376 -8.151 1.00 0.78 N ATOM 1040 CA SER A 64 7.489 2.926 -8.103 1.00 0.89 C ATOM 1041 C SER A 64 7.431 4.381 -7.666 1.00 0.82 C ATOM 1042 O SER A 64 6.621 5.153 -8.191 1.00 1.57 O ATOM 1043 CB SER A 64 8.142 2.805 -9.478 1.00 1.13 C ATOM 1044 OG SER A 64 7.278 2.138 -10.387 1.00 1.36 O ATOM 0 H SER A 64 5.778 2.247 -9.092 1.00 0.78 H new ATOM 0 HA SER A 64 8.087 2.370 -7.381 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.384 3.797 -9.860 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.081 2.258 -9.393 1.00 1.13 H new ATOM 0 HG SER A 64 6.626 2.775 -10.746 1.00 1.36 H new ATOM 1050 N ASN A 65 8.268 4.731 -6.685 1.00 1.03 N ATOM 1051 CA ASN A 65 8.350 6.088 -6.128 1.00 0.94 C ATOM 1052 C ASN A 65 6.968 6.714 -5.920 1.00 0.82 C ATOM 1053 O ASN A 65 6.721 7.861 -6.304 1.00 1.16 O ATOM 1054 CB ASN A 65 9.248 7.006 -6.989 1.00 1.03 C ATOM 1055 CG ASN A 65 8.966 6.938 -8.482 1.00 1.41 C ATOM 1056 OD1 ASN A 65 9.575 6.154 -9.213 1.00 2.04 O ATOM 1057 ND2 ASN A 65 8.039 7.758 -8.946 1.00 1.97 N ATOM 0 H ASN A 65 8.916 4.074 -6.249 1.00 1.03 H new ATOM 0 HA ASN A 65 8.813 5.991 -5.146 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.122 8.036 -6.654 1.00 1.03 H new ATOM 0 HB3 ASN A 65 10.291 6.740 -6.816 1.00 1.03 H new ATOM 0 HD21 ASN A 65 7.807 7.756 -9.939 1.00 1.97 H new ATOM 0 HD22 ASN A 65 7.556 8.393 -8.311 1.00 1.97 H new ATOM 1064 N GLY A 66 6.093 5.977 -5.246 1.00 0.69 N ATOM 1065 CA GLY A 66 4.772 6.486 -4.929 1.00 0.66 C ATOM 1066 C GLY A 66 4.472 6.361 -3.451 1.00 0.61 C ATOM 1067 O GLY A 66 5.070 5.527 -2.771 1.00 0.87 O ATOM 0 H GLY A 66 6.276 5.031 -4.912 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.702 7.532 -5.229 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.023 5.939 -5.501 1.00 0.66 H new ATOM 1071 N THR A 67 3.591 7.213 -2.937 1.00 0.40 N ATOM 1072 CA THR A 67 3.277 7.198 -1.513 1.00 0.41 C ATOM 1073 C THR A 67 1.801 7.503 -1.250 1.00 0.36 C ATOM 1074 O THR A 67 1.385 7.626 -0.099 1.00 0.39 O ATOM 1075 CB THR A 67 4.143 8.211 -0.737 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.444 9.341 -1.567 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.437 7.569 -0.255 1.00 0.70 C ATOM 0 H THR A 67 3.087 7.915 -3.478 1.00 0.40 H new ATOM 0 HA THR A 67 3.496 6.189 -1.162 1.00 0.41 H new ATOM 0 HB THR A 67 3.576 8.541 0.134 1.00 0.57 H new ATOM 0 HG1 THR A 67 4.993 9.979 -1.065 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.028 8.306 0.289 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.205 6.732 0.404 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.006 7.209 -1.112 1.00 0.70 H new ATOM 1085 N ALA A 68 1.016 7.641 -2.309 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.399 7.958 -2.164 1.00 0.47 C ATOM 1087 C ALA A 68 -1.225 7.306 -3.263 1.00 0.47 C ATOM 1088 O ALA A 68 -1.412 7.878 -4.341 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.604 9.465 -2.171 1.00 0.59 C ATOM 0 H ALA A 68 1.332 7.539 -3.273 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.738 7.559 -1.208 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.665 9.688 -2.062 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.052 9.911 -1.343 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.241 9.877 -3.113 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.710 6.104 -3.000 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.550 5.410 -3.960 1.00 0.45 C ATOM 1097 C HIS A 69 -4.024 5.685 -3.696 1.00 0.40 C ATOM 1098 O HIS A 69 -4.633 5.083 -2.814 1.00 0.80 O ATOM 1099 CB HIS A 69 -2.291 3.906 -3.953 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.606 3.259 -5.267 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.235 3.802 -6.476 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.272 2.118 -5.560 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.659 3.027 -7.454 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.294 1.997 -6.927 1.00 0.75 N ATOM 0 H HIS A 69 -1.538 5.592 -2.135 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.291 5.794 -4.947 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -1.246 3.723 -3.704 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.892 3.442 -3.171 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.706 1.430 -4.850 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.512 3.205 -8.509 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.729 1.237 -7.449 1.00 0.75 H new ATOM 1113 N THR A 70 -4.610 6.518 -4.526 1.00 0.41 N ATOM 1114 CA THR A 70 -6.032 6.797 -4.452 1.00 0.44 C ATOM 1115 C THR A 70 -6.820 5.740 -5.220 1.00 0.47 C ATOM 1116 O THR A 70 -7.141 5.922 -6.393 1.00 0.72 O ATOM 1117 CB THR A 70 -6.355 8.188 -5.020 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.144 8.945 -5.172 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.313 8.931 -4.107 1.00 0.84 C ATOM 0 H THR A 70 -4.121 7.020 -5.268 1.00 0.41 H new ATOM 0 HA THR A 70 -6.320 6.774 -3.401 1.00 0.44 H new ATOM 0 HB THR A 70 -6.830 8.063 -5.993 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.355 9.830 -5.536 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.528 9.913 -4.528 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.240 8.365 -4.014 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.860 9.049 -3.123 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.065 4.611 -4.573 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.747 3.498 -5.216 1.00 0.44 C ATOM 1129 C ILE A 71 -9.257 3.660 -5.136 1.00 0.34 C ATOM 1130 O ILE A 71 -9.802 3.912 -4.067 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.374 2.134 -4.588 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.300 2.288 -3.508 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.910 1.170 -5.669 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -5.977 0.993 -2.789 1.00 0.70 C ATOM 0 H ILE A 71 -6.802 4.441 -3.602 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.420 3.510 -6.256 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.265 1.728 -4.109 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.390 2.678 -3.964 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.633 3.026 -2.778 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.650 0.213 -5.216 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.711 1.023 -6.393 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.036 1.582 -6.173 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.209 1.176 -2.038 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -6.876 0.612 -2.304 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -5.614 0.258 -3.508 1.00 0.70 H new ATOM 1146 N THR A 72 -9.927 3.417 -6.250 1.00 0.37 N ATOM 1147 CA THR A 72 -11.384 3.434 -6.296 1.00 0.33 C ATOM 1148 C THR A 72 -11.901 2.012 -6.478 1.00 0.31 C ATOM 1149 O THR A 72 -12.943 1.780 -7.086 1.00 0.33 O ATOM 1150 CB THR A 72 -11.888 4.316 -7.457 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.880 5.272 -7.821 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.169 5.044 -7.076 1.00 1.22 C ATOM 0 H THR A 72 -9.483 3.204 -7.143 1.00 0.37 H new ATOM 0 HA THR A 72 -11.756 3.850 -5.359 1.00 0.33 H new ATOM 0 HB THR A 72 -12.100 3.667 -8.307 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.053 5.601 -8.728 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.501 5.658 -7.913 1.00 1.22 H new ATOM 0 HG22 THR A 72 -13.942 4.316 -6.831 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.982 5.680 -6.211 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.073 1.063 -6.079 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.338 -0.344 -6.336 1.00 0.40 C ATOM 1162 C ASP A 73 -12.035 -1.021 -5.170 1.00 0.39 C ATOM 1163 O ASP A 73 -12.346 -2.208 -5.237 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.029 -1.072 -6.641 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.127 -1.986 -7.846 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.267 -2.305 -8.260 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -9.077 -2.403 -8.382 1.00 1.21 O ATOM 0 H ASP A 73 -10.206 1.242 -5.573 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.006 -0.396 -7.196 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.242 -0.337 -6.812 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.734 -1.658 -5.770 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.130 -0.328 -4.047 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.641 -0.952 -2.839 1.00 0.33 C ATOM 1174 C ALA A 74 -14.141 -0.757 -2.690 1.00 0.35 C ATOM 1175 O ALA A 74 -14.643 0.355 -2.807 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.904 -0.426 -1.621 1.00 0.36 C ATOM 0 H ALA A 74 -11.864 0.652 -3.947 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.464 -2.024 -2.921 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.298 -0.903 -0.723 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.841 -0.650 -1.714 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.043 0.653 -1.550 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.835 -1.831 -2.346 1.00 0.48 N ATOM 1183 CA TYR A 75 -16.261 -1.761 -2.071 1.00 0.52 C ATOM 1184 C TYR A 75 -16.495 -1.048 -0.742 1.00 0.46 C ATOM 1185 O TYR A 75 -15.898 -1.405 0.269 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.861 -3.170 -2.034 1.00 0.71 C ATOM 1187 CG TYR A 75 -18.276 -3.248 -2.557 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -18.566 -2.897 -3.866 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -19.321 -3.669 -1.742 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -19.856 -2.960 -4.354 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -20.616 -3.736 -2.222 1.00 2.26 C ATOM 1192 CZ TYR A 75 -20.883 -3.404 -3.508 1.00 2.21 C ATOM 1193 OH TYR A 75 -22.163 -3.452 -4.017 1.00 2.86 O ATOM 0 H TYR A 75 -14.432 -2.763 -2.251 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.751 -1.198 -2.865 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -16.230 -3.838 -2.620 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.843 -3.535 -1.007 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.769 -2.568 -4.516 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -19.118 -3.948 -0.719 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -20.071 -2.672 -5.372 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -21.416 -4.054 -1.570 1.00 2.26 H new ATOM 0 HH TYR A 75 -22.777 -3.778 -3.327 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.285 0.019 -0.777 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.506 0.857 0.400 1.00 0.57 C ATOM 1205 C ALA A 76 -18.141 0.078 1.546 1.00 0.50 C ATOM 1206 O ALA A 76 -17.900 0.372 2.717 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.378 2.046 0.040 1.00 0.74 C ATOM 0 H ALA A 76 -17.786 0.327 -1.611 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.530 1.207 0.738 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.536 2.663 0.925 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.886 2.638 -0.732 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.340 1.693 -0.332 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.983 -0.884 1.204 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.681 -1.654 2.218 1.00 0.55 C ATOM 1215 C GLY A 77 -18.922 -2.894 2.648 1.00 0.48 C ATOM 1216 O GLY A 77 -19.486 -3.776 3.295 1.00 0.58 O ATOM 0 H GLY A 77 -19.198 -1.148 0.242 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.857 -1.022 3.089 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.658 -1.948 1.835 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.647 -2.970 2.292 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.832 -4.124 2.639 1.00 0.49 C ATOM 1222 C LYS A 78 -15.457 -3.682 3.132 1.00 0.43 C ATOM 1223 O LYS A 78 -14.880 -2.732 2.609 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.688 -5.048 1.427 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.559 -6.296 1.496 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.917 -6.073 0.847 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.250 -7.170 -0.153 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.531 -7.853 0.171 1.00 2.32 N ATOM 0 H LYS A 78 -17.156 -2.248 1.764 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.326 -4.669 3.443 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.940 -4.490 0.525 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.645 -5.350 1.334 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.050 -7.122 1.000 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.697 -6.586 2.538 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.687 -6.037 1.618 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.925 -5.107 0.343 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.311 -6.742 -1.153 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -18.443 -7.903 -0.169 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -20.719 -8.593 -0.536 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -20.465 -8.285 1.115 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.306 -7.160 0.161 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.952 -4.352 4.158 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.650 -4.012 4.720 1.00 0.43 C ATOM 1244 C GLU A 79 -12.527 -4.609 3.879 1.00 0.37 C ATOM 1245 O GLU A 79 -12.661 -5.710 3.335 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.540 -4.495 6.167 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.867 -3.490 7.087 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.105 -4.147 8.219 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -12.709 -4.953 8.961 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -10.900 -3.856 8.378 1.00 2.05 O ATOM 0 H GLU A 79 -15.421 -5.132 4.618 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.553 -2.926 4.709 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -14.538 -4.713 6.547 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.979 -5.430 6.189 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -12.183 -2.873 6.505 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -13.622 -2.823 7.503 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.453 -3.848 3.724 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.325 -4.259 2.902 1.00 0.38 C ATOM 1259 C TYR A 80 -9.037 -4.243 3.718 1.00 0.41 C ATOM 1260 O TYR A 80 -8.785 -3.301 4.472 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.177 -3.315 1.704 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.990 -3.704 0.491 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.377 -3.753 0.548 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.371 -4.048 -0.704 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -13.124 -4.127 -0.551 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -11.109 -4.427 -1.806 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.484 -4.378 -1.756 1.00 0.66 C ATOM 1268 OH TYR A 80 -13.224 -4.851 -2.821 1.00 0.85 O ATOM 0 H TYR A 80 -11.339 -2.934 4.162 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.510 -5.273 2.547 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.467 -2.310 2.012 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.125 -3.271 1.421 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.880 -3.494 1.468 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.294 -4.018 -0.771 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -14.197 -4.223 -0.473 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.610 -4.761 -2.704 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.638 -4.978 -3.596 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.183 -5.227 3.491 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.867 -5.254 4.114 1.00 0.33 C ATOM 1280 C ILE A 81 -5.800 -4.929 3.069 1.00 0.29 C ATOM 1281 O ILE A 81 -5.719 -5.583 2.028 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.563 -6.619 4.790 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.056 -6.785 5.021 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.107 -7.772 3.959 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.688 -8.051 5.763 1.00 1.11 C ATOM 0 H ILE A 81 -8.376 -6.020 2.879 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.856 -4.500 4.901 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.064 -6.634 5.758 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.547 -6.779 4.057 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.687 -5.926 5.582 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.881 -8.716 4.455 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.187 -7.667 3.854 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.644 -7.760 2.972 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.606 -8.098 5.888 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.167 -8.051 6.742 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.025 -8.917 5.194 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.036 -3.878 3.321 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.014 -3.430 2.385 1.00 0.30 C ATOM 1299 C ILE A 82 -2.622 -3.683 2.940 1.00 0.32 C ATOM 1300 O ILE A 82 -2.106 -2.892 3.725 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.133 -1.927 2.037 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.353 -1.284 2.699 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -4.196 -1.736 0.531 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -5.183 0.198 2.922 1.00 0.64 C ATOM 0 H ILE A 82 -5.104 -3.316 4.170 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.174 -4.008 1.475 1.00 0.30 H new ATOM 0 HB ILE A 82 -3.244 -1.431 2.426 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.231 -1.455 2.076 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -5.541 -1.772 3.656 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.280 -0.674 0.302 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -3.290 -2.135 0.075 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -5.064 -2.262 0.134 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -6.079 0.600 3.394 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -4.323 0.372 3.568 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.024 0.694 1.965 1.00 0.64 H new ATOM 1316 N GLN A 83 -1.996 -4.758 2.491 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.637 -5.060 2.904 1.00 0.34 C ATOM 1318 C GLN A 83 0.354 -4.273 2.063 1.00 0.29 C ATOM 1319 O GLN A 83 0.414 -4.433 0.842 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.345 -6.553 2.788 1.00 0.44 C ATOM 1321 CG GLN A 83 0.853 -6.997 3.603 1.00 0.60 C ATOM 1322 CD GLN A 83 0.451 -7.783 4.834 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.382 -8.683 4.761 1.00 1.59 O ATOM 1324 NE2 GLN A 83 1.039 -7.450 5.972 1.00 0.64 N ATOM 0 H GLN A 83 -2.405 -5.432 1.844 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.531 -4.771 3.950 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.222 -7.113 3.111 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.175 -6.802 1.741 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.506 -7.609 2.981 1.00 0.60 H new ATOM 0 HG3 GLN A 83 1.429 -6.122 3.905 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.726 -6.696 5.990 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.805 -7.947 6.831 1.00 0.64 H new ATOM 1333 N VAL A 84 1.093 -3.396 2.721 1.00 0.28 N ATOM 1334 CA VAL A 84 2.069 -2.552 2.061 1.00 0.28 C ATOM 1335 C VAL A 84 3.472 -3.126 2.219 1.00 0.28 C ATOM 1336 O VAL A 84 3.971 -3.280 3.340 1.00 0.32 O ATOM 1337 CB VAL A 84 2.050 -1.117 2.628 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.637 -0.138 1.621 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.639 -0.702 3.019 1.00 0.51 C ATOM 0 H VAL A 84 1.032 -3.251 3.729 1.00 0.28 H new ATOM 0 HA VAL A 84 1.801 -2.519 1.005 1.00 0.28 H new ATOM 0 HB VAL A 84 2.666 -1.101 3.527 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.616 0.869 2.038 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.667 -0.417 1.400 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.049 -0.164 0.703 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.655 0.313 3.415 1.00 0.51 H new ATOM 0 HG22 VAL A 84 -0.007 -0.739 2.142 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.257 -1.383 3.780 1.00 0.51 H new ATOM 1349 N ALA A 85 4.107 -3.414 1.094 1.00 0.31 N ATOM 1350 CA ALA A 85 5.477 -3.902 1.076 1.00 0.36 C ATOM 1351 C ALA A 85 6.351 -2.946 0.275 1.00 0.30 C ATOM 1352 O ALA A 85 5.842 -1.993 -0.321 1.00 0.37 O ATOM 1353 CB ALA A 85 5.540 -5.306 0.493 1.00 0.49 C ATOM 0 H ALA A 85 3.688 -3.316 0.169 1.00 0.31 H new ATOM 0 HA ALA A 85 5.850 -3.948 2.099 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.574 -5.652 0.489 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.934 -5.979 1.100 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.157 -5.294 -0.528 1.00 0.49 H new ATOM 1359 N ALA A 86 7.656 -3.176 0.276 1.00 0.35 N ATOM 1360 CA ALA A 86 8.579 -2.284 -0.410 1.00 0.45 C ATOM 1361 C ALA A 86 9.830 -3.017 -0.879 1.00 0.40 C ATOM 1362 O ALA A 86 10.609 -3.518 -0.071 1.00 0.55 O ATOM 1363 CB ALA A 86 8.956 -1.132 0.508 1.00 0.70 C ATOM 0 H ALA A 86 8.098 -3.969 0.742 1.00 0.35 H new ATOM 0 HA ALA A 86 8.077 -1.896 -1.296 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.647 -0.466 -0.009 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.059 -0.579 0.785 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.433 -1.524 1.406 1.00 0.70 H new ATOM 1369 N LYS A 87 10.063 -2.996 -2.180 1.00 0.46 N ATOM 1370 CA LYS A 87 11.271 -3.572 -2.756 1.00 0.49 C ATOM 1371 C LYS A 87 11.783 -2.662 -3.861 1.00 0.61 C ATOM 1372 O LYS A 87 11.015 -2.233 -4.720 1.00 0.80 O ATOM 1373 CB LYS A 87 10.989 -4.978 -3.303 1.00 0.62 C ATOM 1374 CG LYS A 87 11.903 -5.399 -4.445 1.00 0.69 C ATOM 1375 CD LYS A 87 11.111 -5.840 -5.661 1.00 0.91 C ATOM 1376 CE LYS A 87 12.027 -6.289 -6.785 1.00 1.08 C ATOM 1377 NZ LYS A 87 12.348 -5.178 -7.718 1.00 1.33 N ATOM 0 H LYS A 87 9.428 -2.584 -2.864 1.00 0.46 H new ATOM 0 HA LYS A 87 12.033 -3.660 -1.981 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.087 -5.698 -2.490 1.00 0.62 H new ATOM 0 HB3 LYS A 87 9.955 -5.022 -3.645 1.00 0.62 H new ATOM 0 HG2 LYS A 87 12.554 -4.568 -4.716 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.547 -6.214 -4.115 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.443 -6.656 -5.386 1.00 0.91 H new ATOM 0 HD3 LYS A 87 10.484 -5.018 -6.007 1.00 0.91 H new ATOM 0 HE2 LYS A 87 12.950 -6.687 -6.364 1.00 1.08 H new ATOM 0 HE3 LYS A 87 11.553 -7.101 -7.337 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 12.675 -5.569 -8.624 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 11.497 -4.601 -7.876 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.097 -4.585 -7.307 1.00 1.33 H new ATOM 1391 N ASP A 88 13.057 -2.305 -3.804 1.00 0.67 N ATOM 1392 CA ASP A 88 13.617 -1.387 -4.788 1.00 0.81 C ATOM 1393 C ASP A 88 13.627 -2.011 -6.181 1.00 0.90 C ATOM 1394 O ASP A 88 13.592 -3.233 -6.333 1.00 1.00 O ATOM 1395 CB ASP A 88 15.028 -0.967 -4.400 1.00 0.96 C ATOM 1396 CG ASP A 88 15.572 0.116 -5.307 1.00 1.22 C ATOM 1397 OD1 ASP A 88 14.783 0.962 -5.764 1.00 1.53 O ATOM 1398 OD2 ASP A 88 16.803 0.143 -5.526 1.00 1.42 O ATOM 0 H ASP A 88 13.716 -2.631 -3.097 1.00 0.67 H new ATOM 0 HA ASP A 88 12.980 -0.503 -4.808 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.029 -0.610 -3.370 1.00 0.96 H new ATOM 0 HB3 ASP A 88 15.687 -1.835 -4.437 1.00 0.96 H new ATOM 1403 N ASN A 89 13.627 -1.162 -7.195 1.00 1.00 N ATOM 1404 CA ASN A 89 13.609 -1.620 -8.576 1.00 1.17 C ATOM 1405 C ASN A 89 15.023 -1.785 -9.117 1.00 1.27 C ATOM 1406 O ASN A 89 15.236 -2.488 -10.105 1.00 1.46 O ATOM 1407 CB ASN A 89 12.826 -0.641 -9.451 1.00 1.30 C ATOM 1408 CG ASN A 89 11.952 -1.343 -10.468 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.720 -2.549 -10.383 1.00 1.91 O ATOM 1410 ND2 ASN A 89 11.449 -0.589 -11.431 1.00 1.75 N ATOM 0 H ASN A 89 13.639 -0.148 -7.088 1.00 1.00 H new ATOM 0 HA ASN A 89 13.117 -2.592 -8.601 1.00 1.17 H new ATOM 0 HB2 ASN A 89 12.204 -0.009 -8.817 1.00 1.30 H new ATOM 0 HB3 ASN A 89 13.524 0.017 -9.969 1.00 1.30 H new ATOM 0 HD21 ASN A 89 10.844 -1.003 -12.140 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.666 0.407 -11.465 1.00 1.75 H new ATOM 1417 N GLU A 90 15.984 -1.130 -8.474 1.00 1.29 N ATOM 1418 CA GLU A 90 17.374 -1.201 -8.908 1.00 1.46 C ATOM 1419 C GLU A 90 17.968 -2.567 -8.591 1.00 1.44 C ATOM 1420 O GLU A 90 18.648 -3.169 -9.424 1.00 1.57 O ATOM 1421 CB GLU A 90 18.195 -0.105 -8.239 1.00 1.60 C ATOM 1422 CG GLU A 90 18.562 1.034 -9.173 1.00 1.82 C ATOM 1423 CD GLU A 90 19.963 0.902 -9.731 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.848 0.379 -9.019 1.00 2.17 O ATOM 1425 OE2 GLU A 90 20.186 1.322 -10.883 1.00 2.26 O ATOM 0 H GLU A 90 15.826 -0.546 -7.653 1.00 1.29 H new ATOM 0 HA GLU A 90 17.402 -1.053 -9.988 1.00 1.46 H new ATOM 0 HB2 GLU A 90 17.633 0.295 -7.395 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.108 -0.542 -7.835 1.00 1.60 H new ATOM 0 HG2 GLU A 90 17.849 1.068 -9.997 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.476 1.980 -8.638 1.00 1.82 H new ATOM 1432 N ILE A 91 17.662 -3.075 -7.407 1.00 1.38 N ATOM 1433 CA ILE A 91 18.087 -4.410 -7.016 1.00 1.45 C ATOM 1434 C ILE A 91 16.886 -5.200 -6.511 1.00 1.48 C ATOM 1435 O ILE A 91 16.046 -4.669 -5.786 1.00 1.79 O ATOM 1436 CB ILE A 91 19.186 -4.383 -5.928 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.310 -3.421 -6.319 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.740 -5.780 -5.696 1.00 1.69 C ATOM 1439 CD1 ILE A 91 21.170 -2.992 -5.152 1.00 2.51 C ATOM 0 H ILE A 91 17.119 -2.581 -6.698 1.00 1.38 H new ATOM 0 HA ILE A 91 18.513 -4.890 -7.897 1.00 1.45 H new ATOM 0 HB ILE A 91 18.739 -4.029 -4.999 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.941 -3.898 -7.069 1.00 2.02 H new ATOM 0 HG13 ILE A 91 19.875 -2.536 -6.784 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.512 -5.742 -4.927 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.936 -6.441 -5.371 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.169 -6.160 -6.623 1.00 1.69 H new ATOM 0 HD11 ILE A 91 21.946 -2.311 -5.503 1.00 2.51 H new ATOM 0 HD12 ILE A 91 20.551 -2.486 -4.411 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.634 -3.869 -4.700 1.00 2.51 H new ATOM 1451 N GLY A 92 16.738 -6.421 -6.997 1.00 1.53 N ATOM 1452 CA GLY A 92 15.567 -7.208 -6.676 1.00 1.75 C ATOM 1453 C GLY A 92 15.621 -7.844 -5.300 1.00 1.30 C ATOM 1454 O GLY A 92 15.553 -9.065 -5.179 1.00 1.27 O ATOM 0 H GLY A 92 17.410 -6.883 -7.610 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.684 -6.572 -6.739 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.450 -7.991 -7.425 1.00 1.75 H new ATOM 1458 N THR A 93 15.631 -7.021 -4.258 1.00 1.16 N ATOM 1459 CA THR A 93 15.548 -7.532 -2.900 1.00 0.92 C ATOM 1460 C THR A 93 14.113 -7.437 -2.400 1.00 0.81 C ATOM 1461 O THR A 93 13.638 -6.358 -2.051 1.00 0.82 O ATOM 1462 CB THR A 93 16.478 -6.768 -1.942 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.726 -6.483 -2.589 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.729 -7.579 -0.680 1.00 1.62 C ATOM 0 H THR A 93 15.695 -6.005 -4.328 1.00 1.16 H new ATOM 0 HA THR A 93 15.869 -8.573 -2.919 1.00 0.92 H new ATOM 0 HB THR A 93 15.993 -5.831 -1.667 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.310 -5.995 -1.972 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.389 -7.022 -0.015 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.782 -7.769 -0.175 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.196 -8.528 -0.944 1.00 1.62 H new ATOM 1472 N TRP A 94 13.403 -8.549 -2.477 1.00 0.78 N ATOM 1473 CA TRP A 94 11.986 -8.592 -2.145 1.00 0.75 C ATOM 1474 C TRP A 94 11.761 -8.562 -0.638 1.00 0.74 C ATOM 1475 O TRP A 94 12.269 -9.414 0.094 1.00 0.89 O ATOM 1476 CB TRP A 94 11.353 -9.856 -2.728 1.00 0.82 C ATOM 1477 CG TRP A 94 10.449 -9.593 -3.891 1.00 0.84 C ATOM 1478 CD1 TRP A 94 10.781 -9.632 -5.215 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.056 -9.258 -3.836 1.00 1.04 C ATOM 1480 NE1 TRP A 94 9.680 -9.344 -5.985 1.00 1.13 N ATOM 1481 CE2 TRP A 94 8.610 -9.111 -5.162 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.144 -9.071 -2.793 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.292 -8.785 -5.472 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.839 -8.748 -3.103 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.423 -8.608 -4.432 1.00 1.63 C ATOM 0 H TRP A 94 13.789 -9.446 -2.770 1.00 0.78 H new ATOM 0 HA TRP A 94 11.518 -7.708 -2.577 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.144 -10.537 -3.041 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.787 -10.362 -1.946 1.00 0.82 H new ATOM 0 HD1 TRP A 94 11.765 -9.856 -5.600 1.00 0.93 H new ATOM 0 HE1 TRP A 94 9.662 -9.309 -7.004 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.455 -9.177 -1.764 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 6.968 -8.676 -6.497 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.126 -8.601 -2.306 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.394 -8.355 -4.640 1.00 1.63 H new ATOM 1496 N SER A 95 10.943 -7.622 -0.192 1.00 0.65 N ATOM 1497 CA SER A 95 10.568 -7.536 1.209 1.00 0.65 C ATOM 1498 C SER A 95 9.454 -8.531 1.514 1.00 0.63 C ATOM 1499 O SER A 95 8.590 -8.775 0.666 1.00 0.72 O ATOM 1500 CB SER A 95 10.086 -6.123 1.529 1.00 0.68 C ATOM 1501 OG SER A 95 8.982 -5.775 0.704 1.00 0.94 O ATOM 0 H SER A 95 10.525 -6.905 -0.784 1.00 0.65 H new ATOM 0 HA SER A 95 11.438 -7.772 1.821 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.798 -6.060 2.578 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.899 -5.412 1.378 1.00 0.68 H new ATOM 0 HG SER A 95 9.306 -5.516 -0.184 1.00 0.94 H new ATOM 1507 N ASP A 96 9.391 -8.996 2.748 1.00 0.69 N ATOM 1508 CA ASP A 96 8.273 -9.816 3.175 1.00 0.74 C ATOM 1509 C ASP A 96 7.094 -8.908 3.518 1.00 0.63 C ATOM 1510 O ASP A 96 7.290 -7.718 3.790 1.00 0.53 O ATOM 1511 CB ASP A 96 8.668 -10.713 4.359 1.00 0.94 C ATOM 1512 CG ASP A 96 8.178 -10.207 5.700 1.00 1.28 C ATOM 1513 OD1 ASP A 96 8.914 -9.438 6.353 1.00 1.94 O ATOM 1514 OD2 ASP A 96 7.069 -10.598 6.122 1.00 1.57 O ATOM 0 H ASP A 96 10.094 -8.822 3.466 1.00 0.69 H new ATOM 0 HA ASP A 96 7.977 -10.482 2.365 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.271 -11.714 4.192 1.00 0.94 H new ATOM 0 HB3 ASP A 96 9.754 -10.801 4.389 1.00 0.94 H new ATOM 1519 N TRP A 97 5.882 -9.425 3.339 1.00 0.76 N ATOM 1520 CA TRP A 97 4.663 -8.630 3.501 1.00 0.73 C ATOM 1521 C TRP A 97 4.678 -7.872 4.822 1.00 0.60 C ATOM 1522 O TRP A 97 4.826 -8.465 5.888 1.00 0.76 O ATOM 1523 CB TRP A 97 3.434 -9.529 3.394 1.00 0.99 C ATOM 1524 CG TRP A 97 3.339 -10.219 2.068 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.123 -11.547 1.853 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.473 -9.618 0.772 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.120 -11.812 0.507 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.326 -10.644 -0.178 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.697 -8.314 0.324 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.401 -10.409 -1.548 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.771 -8.082 -1.035 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.620 -9.123 -1.957 1.00 1.26 C ATOM 0 H TRP A 97 5.715 -10.397 3.080 1.00 0.76 H new ATOM 0 HA TRP A 97 4.620 -7.891 2.701 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.465 -10.276 4.187 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.536 -8.932 3.554 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.976 -12.284 2.629 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.986 -12.731 0.085 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.810 -7.502 1.028 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.290 -11.213 -2.261 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.949 -7.079 -1.393 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.678 -8.906 -3.013 1.00 1.26 H new ATOM 1543 N SER A 98 4.774 -6.555 4.712 1.00 0.41 N ATOM 1544 CA SER A 98 5.072 -5.720 5.859 1.00 0.42 C ATOM 1545 C SER A 98 3.812 -5.242 6.589 1.00 0.38 C ATOM 1546 O SER A 98 3.236 -5.988 7.381 1.00 0.46 O ATOM 1547 CB SER A 98 5.950 -4.545 5.416 1.00 0.51 C ATOM 1548 OG SER A 98 7.011 -4.992 4.585 1.00 0.50 O ATOM 0 H SER A 98 4.649 -6.044 3.838 1.00 0.41 H new ATOM 0 HA SER A 98 5.618 -6.324 6.584 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.344 -3.815 4.879 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.357 -4.039 6.292 1.00 0.51 H new ATOM 0 HG SER A 98 7.009 -5.971 4.550 1.00 0.50 H new ATOM 1554 N VAL A 99 3.444 -3.979 6.408 1.00 0.33 N ATOM 1555 CA VAL A 99 2.355 -3.393 7.179 1.00 0.34 C ATOM 1556 C VAL A 99 1.005 -3.563 6.484 1.00 0.32 C ATOM 1557 O VAL A 99 0.797 -3.079 5.373 1.00 0.34 O ATOM 1558 CB VAL A 99 2.620 -1.897 7.480 1.00 0.42 C ATOM 1559 CG1 VAL A 99 3.068 -1.155 6.229 1.00 1.21 C ATOM 1560 CG2 VAL A 99 1.393 -1.232 8.091 1.00 1.32 C ATOM 0 H VAL A 99 3.880 -3.345 5.739 1.00 0.33 H new ATOM 0 HA VAL A 99 2.313 -3.935 8.124 1.00 0.34 H new ATOM 0 HB VAL A 99 3.429 -1.847 8.209 1.00 0.42 H new ATOM 0 HG11 VAL A 99 3.246 -0.107 6.472 1.00 1.21 H new ATOM 0 HG12 VAL A 99 3.988 -1.602 5.851 1.00 1.21 H new ATOM 0 HG13 VAL A 99 2.291 -1.224 5.467 1.00 1.21 H new ATOM 0 HG21 VAL A 99 1.610 -0.183 8.291 1.00 1.32 H new ATOM 0 HG22 VAL A 99 0.556 -1.304 7.396 1.00 1.32 H new ATOM 0 HG23 VAL A 99 1.134 -1.733 9.024 1.00 1.32 H new ATOM 1570 N ALA A 100 0.086 -4.224 7.168 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.271 -4.389 6.676 1.00 0.41 C ATOM 1572 C ALA A 100 -2.167 -3.270 7.194 1.00 0.43 C ATOM 1573 O ALA A 100 -2.564 -3.269 8.360 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.823 -5.745 7.086 1.00 0.50 C ATOM 0 H ALA A 100 0.258 -4.659 8.074 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.252 -4.338 5.587 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.840 -5.853 6.710 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.197 -6.534 6.670 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.828 -5.822 8.173 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.516 -2.342 6.318 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.413 -1.252 6.672 1.00 0.36 C ATOM 1582 C ALA A 101 -4.860 -1.673 6.439 1.00 0.41 C ATOM 1583 O ALA A 101 -5.124 -2.640 5.725 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.078 -0.005 5.866 1.00 0.42 C ATOM 0 H ALA A 101 -2.190 -2.321 5.352 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.285 -1.017 7.729 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -3.758 0.801 6.143 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.052 0.298 6.075 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.184 -0.220 4.803 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.796 -0.975 7.061 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.209 -1.300 6.911 1.00 0.57 C ATOM 1592 C HIS A 102 -7.915 -0.222 6.103 1.00 0.50 C ATOM 1593 O HIS A 102 -7.702 0.973 6.324 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.877 -1.461 8.277 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.521 -2.745 8.962 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -7.782 -2.990 10.291 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.905 -3.854 8.492 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -7.339 -4.192 10.610 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -6.803 -4.735 9.535 1.00 2.00 N ATOM 0 H HIS A 102 -5.606 -0.182 7.673 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.287 -2.247 6.378 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.590 -0.625 8.915 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.959 -1.411 8.153 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -6.558 -4.015 7.482 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -7.405 -4.652 11.585 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -6.380 -5.662 9.488 1.00 2.00 H new ATOM 1608 N ALA A 103 -8.679 -0.646 5.109 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.330 0.282 4.202 1.00 0.54 C ATOM 1610 C ALA A 103 -10.832 0.052 4.140 1.00 0.36 C ATOM 1611 O ALA A 103 -11.299 -1.085 4.066 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.726 0.165 2.811 1.00 0.91 C ATOM 0 H ALA A 103 -8.863 -1.629 4.911 1.00 0.38 H new ATOM 0 HA ALA A 103 -9.165 1.289 4.586 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.222 0.865 2.139 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -7.662 0.397 2.856 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.861 -0.851 2.440 1.00 0.91 H new ATOM 1618 N THR A 104 -11.577 1.142 4.131 1.00 0.41 N ATOM 1619 CA THR A 104 -13.024 1.104 3.986 1.00 0.38 C ATOM 1620 C THR A 104 -13.506 2.414 3.374 1.00 0.41 C ATOM 1621 O THR A 104 -13.434 3.464 4.011 1.00 0.51 O ATOM 1622 CB THR A 104 -13.735 0.877 5.337 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.186 -0.271 6.000 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.229 0.677 5.132 1.00 0.70 C ATOM 0 H THR A 104 -11.196 2.083 4.224 1.00 0.41 H new ATOM 0 HA THR A 104 -13.271 0.265 3.335 1.00 0.38 H new ATOM 0 HB THR A 104 -13.578 1.761 5.955 1.00 0.50 H new ATOM 0 HG1 THR A 104 -13.644 -0.404 6.856 1.00 0.73 H new ATOM 0 HG21 THR A 104 -15.711 0.519 6.097 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.652 1.561 4.656 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.396 -0.193 4.496 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.911 2.390 2.092 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.346 3.595 1.382 1.00 0.38 C ATOM 1634 C PRO A 105 -15.576 4.229 2.025 1.00 0.40 C ATOM 1635 O PRO A 105 -16.179 3.656 2.937 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.683 3.104 -0.027 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.007 1.784 -0.165 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.918 1.203 1.222 1.00 0.40 C ATOM 0 HA PRO A 105 -13.575 4.365 1.398 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.760 3.008 -0.161 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.329 3.806 -0.782 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.571 1.126 -0.826 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.015 1.900 -0.602 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.764 0.551 1.439 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.015 0.606 1.350 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.933 5.418 1.562 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.074 6.130 2.105 1.00 0.41 C ATOM 1648 C TRP A 106 -18.355 5.335 1.887 1.00 0.48 C ATOM 1649 O TRP A 106 -18.814 5.171 0.761 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.200 7.516 1.467 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.485 8.214 1.805 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -18.958 8.507 3.050 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.465 8.695 0.879 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.173 9.139 2.955 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.505 9.268 1.633 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.563 8.700 -0.514 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.629 9.836 1.041 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.678 9.265 -1.101 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.698 9.827 -0.324 1.00 1.07 C ATOM 0 H TRP A 106 -15.447 5.908 0.811 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.917 6.253 3.177 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.363 8.134 1.791 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.123 7.418 0.384 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.451 8.276 3.975 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -20.737 9.460 3.742 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.781 8.270 -1.122 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.418 10.268 1.638 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.765 9.273 -2.177 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.557 10.262 -0.813 1.00 1.07 H new ATOM 1670 N THR A 107 -18.941 4.879 2.977 1.00 0.60 N ATOM 1671 CA THR A 107 -20.201 4.172 2.919 1.00 0.75 C ATOM 1672 C THR A 107 -21.335 5.171 2.760 1.00 0.82 C ATOM 1673 O THR A 107 -21.645 5.920 3.688 1.00 0.89 O ATOM 1674 CB THR A 107 -20.409 3.329 4.185 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.136 2.847 4.645 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.341 2.157 3.915 1.00 1.19 C ATOM 0 H THR A 107 -18.560 4.987 3.917 1.00 0.60 H new ATOM 0 HA THR A 107 -20.189 3.499 2.062 1.00 0.75 H new ATOM 0 HB THR A 107 -20.868 3.954 4.951 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.809 2.153 4.035 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.470 1.577 4.829 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.309 2.531 3.582 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.912 1.522 3.140 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.809 5.309 1.533 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.777 6.336 1.196 1.00 1.27 C ATOM 1686 C GLU A 108 -24.065 6.180 2.006 1.00 1.32 C ATOM 1687 O GLU A 108 -24.640 5.090 2.092 1.00 1.87 O ATOM 1688 CB GLU A 108 -23.070 6.311 -0.306 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.778 5.053 -0.783 1.00 2.11 C ATOM 1690 CD GLU A 108 -22.838 4.034 -1.393 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -21.867 3.638 -0.714 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -23.042 3.647 -2.565 1.00 3.25 O ATOM 0 H GLU A 108 -21.536 4.717 0.749 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.348 7.304 1.453 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -23.682 7.177 -0.560 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -22.131 6.414 -0.850 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -24.301 4.597 0.058 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -24.534 5.326 -1.519 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.485 7.270 2.625 1.00 1.51 N ATOM 1700 CA GLU A 109 -25.689 7.286 3.439 1.00 1.77 C ATOM 1701 C GLU A 109 -26.280 8.688 3.438 1.00 2.52 C ATOM 1702 O GLU A 109 -25.670 9.580 2.810 1.00 3.20 O ATOM 1703 CB GLU A 109 -25.381 6.832 4.874 1.00 2.25 C ATOM 1704 CG GLU A 109 -24.263 7.612 5.550 1.00 2.64 C ATOM 1705 CD GLU A 109 -24.512 7.813 7.032 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -25.457 8.549 7.393 1.00 4.37 O ATOM 1707 OE2 GLU A 109 -23.758 7.241 7.845 1.00 3.99 O ATOM 1708 OXT GLU A 109 -27.351 8.898 4.048 1.00 2.99 O ATOM 0 H GLU A 109 -24.002 8.167 2.578 1.00 1.51 H new ATOM 0 HA GLU A 109 -26.414 6.590 3.016 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -26.286 6.923 5.474 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -25.114 5.775 4.859 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -23.320 7.084 5.411 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -24.158 8.584 5.067 1.00 2.64 H new TER 1715 GLU A 109